Datasets:

ailab-bio
/

AutoTPDplus

AutoTPD_ID string	DOI string	Compound_Name string	IUPAC_Name string	IUPAC_Name_Source string	SMILES string	Compound_Key string	SMILES_Source string	Degradation_Target string	Degradation_Target_Gene string	Degradation_Target_Uniprot string	Degradation_Target_Uniprot_MutationID float64	Degradation_Target_Sequence string	Recruiter string	Recruiter_Gene string	Recruiter_Uniprot string	Recruiter_Sequence string	Assay string	Assay_STD string	Cell_Line string	Cell_Line_STD string	Cell_Line_STD_Accession string	Cell_Line_Modification string	Cell_Line_Species string	DC50 float64	DC50_units string	DC50_h float64	DC50_operator string	DC50_range_min float64	DC50_range_max float64	Dmax float64	Dmax_h float64	Dmax_operator string	Dmax_range_min float64	Dmax_range_max float64	Dmax_conc float64	Dmax_conc_operator float64	Dmax_conc_range_min float64	Dmax_conc_range_max float64	Dmax_conc_units string	Standard_InChIKey string	Standard_InChIKey_Source string	Connectivity_Key string
AUTOTPD-MG-000001	10.1021/acs.jmedchem.3c00851	43h	4-[4-[[[2-[(9S)-7-(4-Chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]methyl]-1-piperidyl]-N-(2,6-dioxo-3-piperidyl)-2-fluorobenzamide	null	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCC1CCN(c3ccc(C(=O)NC4CCC(=O)NC4=O)c(F)c3)CC1)c1nnc(C)n1-2	NTNMFROSEFWETI-XIJSCUBXSA-N	PAPER	BRD4	BRD4	O60885	null	MSAESGPGTRLRNLPVMGDGLETSQMSTTQAQAQPQPANAASTNPPPPETSNPNKPKRQTNQLQYLLRVVLKTLWKHQFAWPFQQPVDAVKLNLPDYYKIIKTPMDMGTIKKRLENNYYWNAQECIQDFNTMFTNCYIYNKPGDDIVLMAEALEKLFLQKINELPTEETEIMIVQAKGRGRGRKETGTAKPGVSTVPNTTQASTPPQTQTPQPNPPPVQATPHPFPAVTPDLIVQTPVMTVVPPQPLQTPPPVPPQPQPPPAPAPQPVQSHPPIIAATPQPVKTKKGVKRKADTTTPTTIDPIHEPPSLPPEPKTTKLGQ...	CRBN	CRBN	Q96SW2	MAGEGDQQDAAHNMGNHLPLLPAESEEEDEMEVEDQDSKEAKKPNIINFDTSLPTSHTYLGADMEEFHGRTLHDDDSCQVIPVLPQVMMILIPGQTLPLQLFHPQEVSMVRNLIQKDRTFAVLAYSNVQEREAQFGTTAEIYAYREEQDFGIEIVKVKAIGRQRFKVLELRTQSDGIQQAKVQILPECVLPSTMSAVQLESLNKCQIFPSKPVSREDQCSYKWWQKYQKRKFHCANLTSWPRWLYSLYDAETLMDRIKKQLREWDENLKDDSLPSNPIDFSYRVAACLPIDDVLRIQLLKIGSAIQRLRCELDIMNKCTS...	Western blot densitometry	Western blot	MOLT4	MOLT-4	CVCL_0013	null	Homo sapiens	4.7	nM	24	null	null	null	99	24	>	null	null	null	null	null	null	null	NTNMFROSEFWETI-XIJSCUBXSA-N	OPSIN	NTNMFROSEFWETI
AUTOTPD-MG-000002	10.1021/acs.jmedchem.3c00851	44h	4-[4-[[[2-[(9S)-7-(4-Chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]methyl]-1-piperidyl]-N-(2,6-dioxo-3-piperidyl)-2-methoxybenzamide	null	COc1cc(N2CCC(CNC(=O)C[C@@H]3N=C(c4ccc(Cl)cc4)c4c(sc(C)c4C)-n4c(C)nnc43)CC2)ccc1C(=O)NC1CCC(=O)NC1=O	BIVJJLVZJPBUMK-XIJSCUBXSA-N	PAPER	BRD4	BRD4	O60885	null	MSAESGPGTRLRNLPVMGDGLETSQMSTTQAQAQPQPANAASTNPPPPETSNPNKPKRQTNQLQYLLRVVLKTLWKHQFAWPFQQPVDAVKLNLPDYYKIIKTPMDMGTIKKRLENNYYWNAQECIQDFNTMFTNCYIYNKPGDDIVLMAEALEKLFLQKINELPTEETEIMIVQAKGRGRGRKETGTAKPGVSTVPNTTQASTPPQTQTPQPNPPPVQATPHPFPAVTPDLIVQTPVMTVVPPQPLQTPPPVPPQPQPPPAPAPQPVQSHPPIIAATPQPVKTKKGVKRKADTTTPTTIDPIHEPPSLPPEPKTTKLGQ...	CRBN	CRBN	Q96SW2	MAGEGDQQDAAHNMGNHLPLLPAESEEEDEMEVEDQDSKEAKKPNIINFDTSLPTSHTYLGADMEEFHGRTLHDDDSCQVIPVLPQVMMILIPGQTLPLQLFHPQEVSMVRNLIQKDRTFAVLAYSNVQEREAQFGTTAEIYAYREEQDFGIEIVKVKAIGRQRFKVLELRTQSDGIQQAKVQILPECVLPSTMSAVQLESLNKCQIFPSKPVSREDQCSYKWWQKYQKRKFHCANLTSWPRWLYSLYDAETLMDRIKKQLREWDENLKDDSLPSNPIDFSYRVAACLPIDDVLRIQLLKIGSAIQRLRCELDIMNKCTS...	Western blot densitometry	Western blot	MOLT4	MOLT-4	CVCL_0013	null	Homo sapiens	0.59	nM	24	null	null	null	99	24	>	null	null	null	null	null	null	null	BIVJJLVZJPBUMK-XIJSCUBXSA-N	OPSIN	BIVJJLVZJPBUMK
AUTOTPD-MG-000003	10.1021/acs.jmedchem.3c00851	51	N-(2,6-Dioxo-3-piperidyl)-4-[[2-[[8-[4-[[7-(hydroxyamino)-7-oxo-heptyl]carbamoyl] anilino]-8-oxooctyl]amino]-2-oxoethyl]amino]-2-methoxybenzamide	null	COc1cc(NCC(=O)NCCCCCCCC(=O)Nc2ccc(C(=O)NCCCCCCC(=O)NO)cc2)ccc1C(=O)NC1CCC(=O)NC1=O	YACBBDOEMCACOF-UHFFFAOYSA-N	PAPER	HDAC6	HDAC6	Q9UBN7	null	MTSTGQDSTTTRQRRSRQNPQSPPQDSSVTSKRNIKKGAVPRSIPNLAEVKKKGKMKKLGQAMEEDLIVGLQGMDLNLEAEALAGTGLVLDEQLNEFHCLWDDSFPEGPERLHAIKEQLIQEGLLDRCVSFQARFAEKEELMLVHSLEYIDLMETTQYMNEGELRVLADTYDSVYLHPNSYSCACLASGSVLRLVDAVLGAEIRNGMAIIRPPGHHAQHSLMDGYCMFNHVAVAARYAQQKHRIRRVLIVDWDVHHGQGTQFTFDQDPSVLYFSIHRYEQGRFWPHLKASNWSTTGFGQGQGYTINVPWNQVGMRDADYI...	CRBN	CRBN	Q96SW2	MAGEGDQQDAAHNMGNHLPLLPAESEEEDEMEVEDQDSKEAKKPNIINFDTSLPTSHTYLGADMEEFHGRTLHDDDSCQVIPVLPQVMMILIPGQTLPLQLFHPQEVSMVRNLIQKDRTFAVLAYSNVQEREAQFGTTAEIYAYREEQDFGIEIVKVKAIGRQRFKVLELRTQSDGIQQAKVQILPECVLPSTMSAVQLESLNKCQIFPSKPVSREDQCSYKWWQKYQKRKFHCANLTSWPRWLYSLYDAETLMDRIKKQLREWDENLKDDSLPSNPIDFSYRVAACLPIDDVLRIQLLKIGSAIQRLRCELDIMNKCTS...	Western blot densitometry	Western blot	MM.1S	MM1.S	CVCL_8792	null	Homo sapiens	5.8	nM	24	null	null	null	null	null	null	null	null	null	null	null	null	null	YACBBDOEMCACOF-UHFFFAOYSA-N	OPSIN	YACBBDOEMCACOF
AUTOTPD-MG-000004	10.1038/s41589-023-01409-z	DS64	(R)-2-((6-((4,5-difluoro-1H-benzo[d]imidazol-2-yl)methyl)amino)-9-isopropyl-9H-purin-2 yl)amino)butan-1-ol	null	CC[C@H](CO)Nc1nc(NCc2nc3c(F)c(F)ccc3[nH]2)c2ncn(C(C)C)c2n1	DCTODZNTFHJKGP-LLVKDONJSA-N	PUBCHEM	cyclin K	CCNK	O75909	null	MKENKENSSPSVTSANLDHTKPCWYWDKKDLAHTPSQLEGLDPATEARYRREGARFIFDVGTRLGLHYDTLATGIIYFHRFYMFHSFKQFPRYVTGACCLFLAGKVEETPKKCKDIIKTARSLLNDVQFGQFGDDPKEEVMVLERILLQTIKFDLQVEHPYQFLLKYAKQLKGDKNKIQKLVQMAWTFVNDSLCTTLSLQWEPEIIAVAVMYLAGRLCKFEIQEWTSKPMYRRWWEQFVQDVPVDVLEDICHQILDLYSQGKQQMPHHTPHQLQQPPSLQPTPQVPQVQQSQPSQSSEPSQPQQKDPQQPAQQQQPAQQP...	DDB1–CUL4–RBX1	DDB1	Q16531	MSYNYVVTAQKPTAVNGCVTGHFTSAEDLNLLIAKNTRLEIYVVTAEGLRPVKEVGMYGKIAVMELFRPKGESKDLLFILTAKYNACILEYKQSGESIDIITRAHGNVQDRIGRPSETGIIGIIDPECRMIGLRLYDGLFKVIPLDRDNKELKAFNIRLEELHVIDVKFLYGCQAPTICFVYQDPQGRHVKTYEVSLREKEFNKGPWKQENVEAEASMVIAVPEPFGGAIIIGQESITYHNGDKYLAIAPPIIKQSTIVCHNRVDPNGSRYLLGDMEGRLFMLLLEKEEQMDGTVTLKDLRVELLGETSIAECLTYLDNG...	HEK293T cyclin K–eGFP reporter assay	Fluorescent reporter	HEK293T–Cas9	HEK293T	CVCL_0063	null	Homo sapiens	62	nM	5	null	null	null	null	null	null	null	null	null	null	null	null	null	DCTODZNTFHJKGP-LLVKDONJSA-N	PUBCHEM	DCTODZNTFHJKGP
AUTOTPD-MG-000005	10.1038/s41589-023-01409-z	DS18	N-((5,6-dichloro-1H-benzo[d]imidazol-2-yl)methyl)-9-isopropyl-2-morpholino-9H-purin-6 amine	null	CC(C)n1cnc2c(NCc3nc4cc(Cl)c(Cl)cc4[nH]3)nc(N3CCOCC3)nc21	DPCUNIIUTMKIKJ-UHFFFAOYSA-N	OPSIN	cyclin K	CCNK	O75909	null	MKENKENSSPSVTSANLDHTKPCWYWDKKDLAHTPSQLEGLDPATEARYRREGARFIFDVGTRLGLHYDTLATGIIYFHRFYMFHSFKQFPRYVTGACCLFLAGKVEETPKKCKDIIKTARSLLNDVQFGQFGDDPKEEVMVLERILLQTIKFDLQVEHPYQFLLKYAKQLKGDKNKIQKLVQMAWTFVNDSLCTTLSLQWEPEIIAVAVMYLAGRLCKFEIQEWTSKPMYRRWWEQFVQDVPVDVLEDICHQILDLYSQGKQQMPHHTPHQLQQPPSLQPTPQVPQVQQSQPSQSSEPSQPQQKDPQQPAQQQQPAQQP...	DDB1–CUL4–RBX1	DDB1	Q16531	MSYNYVVTAQKPTAVNGCVTGHFTSAEDLNLLIAKNTRLEIYVVTAEGLRPVKEVGMYGKIAVMELFRPKGESKDLLFILTAKYNACILEYKQSGESIDIITRAHGNVQDRIGRPSETGIIGIIDPECRMIGLRLYDGLFKVIPLDRDNKELKAFNIRLEELHVIDVKFLYGCQAPTICFVYQDPQGRHVKTYEVSLREKEFNKGPWKQENVEAEASMVIAVPEPFGGAIIIGQESITYHNGDKYLAIAPPIIKQSTIVCHNRVDPNGSRYLLGDMEGRLFMLLLEKEEQMDGTVTLKDLRVELLGETSIAECLTYLDNG...	HEK293T cyclin K–eGFP reporter assay	Fluorescent reporter	HEK293T–Cas9	HEK293T	CVCL_0063	null	Homo sapiens	13	nM	5	null	null	null	null	null	null	null	null	null	null	null	null	null	DPCUNIIUTMKIKJ-UHFFFAOYSA-N	OPSIN	DPCUNIIUTMKIKJ
AUTOTPD-MG-000006	10.1038/s41589-023-01409-z	DS19	9-isopropyl-2-morpholino-N-(4-(pyridin-2-yl)benzyl)-9H-purin-6-amine	null	CC(C)n1cnc2c(NCc3ccc(-c4ccccn4)cc3)nc(N3CCOCC3)nc21	LQFDMFLOSFCOEO-UHFFFAOYSA-N	OPSIN	cyclin K	CCNK	O75909	null	MKENKENSSPSVTSANLDHTKPCWYWDKKDLAHTPSQLEGLDPATEARYRREGARFIFDVGTRLGLHYDTLATGIIYFHRFYMFHSFKQFPRYVTGACCLFLAGKVEETPKKCKDIIKTARSLLNDVQFGQFGDDPKEEVMVLERILLQTIKFDLQVEHPYQFLLKYAKQLKGDKNKIQKLVQMAWTFVNDSLCTTLSLQWEPEIIAVAVMYLAGRLCKFEIQEWTSKPMYRRWWEQFVQDVPVDVLEDICHQILDLYSQGKQQMPHHTPHQLQQPPSLQPTPQVPQVQQSQPSQSSEPSQPQQKDPQQPAQQQQPAQQP...	DDB1–CUL4–RBX1	DDB1	Q16531	MSYNYVVTAQKPTAVNGCVTGHFTSAEDLNLLIAKNTRLEIYVVTAEGLRPVKEVGMYGKIAVMELFRPKGESKDLLFILTAKYNACILEYKQSGESIDIITRAHGNVQDRIGRPSETGIIGIIDPECRMIGLRLYDGLFKVIPLDRDNKELKAFNIRLEELHVIDVKFLYGCQAPTICFVYQDPQGRHVKTYEVSLREKEFNKGPWKQENVEAEASMVIAVPEPFGGAIIIGQESITYHNGDKYLAIAPPIIKQSTIVCHNRVDPNGSRYLLGDMEGRLFMLLLEKEEQMDGTVTLKDLRVELLGETSIAECLTYLDNG...	HEK293T cyclin K–eGFP reporter assay	Fluorescent reporter	HEK293T–Cas9	HEK293T	CVCL_0063	null	Homo sapiens	62	nM	5	null	null	null	null	null	null	null	null	null	null	null	null	null	LQFDMFLOSFCOEO-UHFFFAOYSA-N	OPSIN	LQFDMFLOSFCOEO
AUTOTPD-MG-000007	10.1038/s41589-023-01409-z	DS21	9-(1-methyl-1H-pyrazol-4-yl)-2-morpholino-N-(4-(pyridin-2-yl)benzyl)-9H-purin-6-amine	null	Cn1cc(-n2cnc3c(NCc4ccc(-c5ccccn5)cc4)nc(N4CCOCC4)nc32)cn1	MQFPSSOXZJCSMW-UHFFFAOYSA-N	OPSIN	cyclin K	CCNK	O75909	null	MKENKENSSPSVTSANLDHTKPCWYWDKKDLAHTPSQLEGLDPATEARYRREGARFIFDVGTRLGLHYDTLATGIIYFHRFYMFHSFKQFPRYVTGACCLFLAGKVEETPKKCKDIIKTARSLLNDVQFGQFGDDPKEEVMVLERILLQTIKFDLQVEHPYQFLLKYAKQLKGDKNKIQKLVQMAWTFVNDSLCTTLSLQWEPEIIAVAVMYLAGRLCKFEIQEWTSKPMYRRWWEQFVQDVPVDVLEDICHQILDLYSQGKQQMPHHTPHQLQQPPSLQPTPQVPQVQQSQPSQSSEPSQPQQKDPQQPAQQQQPAQQP...	DDB1–CUL4–RBX1	DDB1	Q16531	MSYNYVVTAQKPTAVNGCVTGHFTSAEDLNLLIAKNTRLEIYVVTAEGLRPVKEVGMYGKIAVMELFRPKGESKDLLFILTAKYNACILEYKQSGESIDIITRAHGNVQDRIGRPSETGIIGIIDPECRMIGLRLYDGLFKVIPLDRDNKELKAFNIRLEELHVIDVKFLYGCQAPTICFVYQDPQGRHVKTYEVSLREKEFNKGPWKQENVEAEASMVIAVPEPFGGAIIIGQESITYHNGDKYLAIAPPIIKQSTIVCHNRVDPNGSRYLLGDMEGRLFMLLLEKEEQMDGTVTLKDLRVELLGETSIAECLTYLDNG...	HEK293T cyclin K–eGFP reporter assay	Fluorescent reporter	HEK293T–Cas9	HEK293T	CVCL_0063	null	Homo sapiens	3,124	nM	5	null	null	null	null	null	null	null	null	null	null	null	null	null	MQFPSSOXZJCSMW-UHFFFAOYSA-N	OPSIN	MQFPSSOXZJCSMW
AUTOTPD-MG-000008	10.1038/s41589-023-01409-z	DS22	(R)-2-((6-(((5,6-dichloro-1H-benzo[d]imidazol-2-yl)methyl)amino)-9-(1-methyl-1H-pyrazol-4 yl)-9H-purin-2-yl)amino)butan-1-ol	null	CC[C@H](CO)Nc1nc(NCc2nc3cc(Cl)c(Cl)cc3[nH]2)c2ncn(-c3cnn(C)c3)c2n1	QUGBKWYKYATQSZ-LLVKDONJSA-N	OPSIN	cyclin K	CCNK	O75909	null	MKENKENSSPSVTSANLDHTKPCWYWDKKDLAHTPSQLEGLDPATEARYRREGARFIFDVGTRLGLHYDTLATGIIYFHRFYMFHSFKQFPRYVTGACCLFLAGKVEETPKKCKDIIKTARSLLNDVQFGQFGDDPKEEVMVLERILLQTIKFDLQVEHPYQFLLKYAKQLKGDKNKIQKLVQMAWTFVNDSLCTTLSLQWEPEIIAVAVMYLAGRLCKFEIQEWTSKPMYRRWWEQFVQDVPVDVLEDICHQILDLYSQGKQQMPHHTPHQLQQPPSLQPTPQVPQVQQSQPSQSSEPSQPQQKDPQQPAQQQQPAQQP...	DDB1–CUL4–RBX1	DDB1	Q16531	MSYNYVVTAQKPTAVNGCVTGHFTSAEDLNLLIAKNTRLEIYVVTAEGLRPVKEVGMYGKIAVMELFRPKGESKDLLFILTAKYNACILEYKQSGESIDIITRAHGNVQDRIGRPSETGIIGIIDPECRMIGLRLYDGLFKVIPLDRDNKELKAFNIRLEELHVIDVKFLYGCQAPTICFVYQDPQGRHVKTYEVSLREKEFNKGPWKQENVEAEASMVIAVPEPFGGAIIIGQESITYHNGDKYLAIAPPIIKQSTIVCHNRVDPNGSRYLLGDMEGRLFMLLLEKEEQMDGTVTLKDLRVELLGETSIAECLTYLDNG...	HEK293T cyclin K–eGFP reporter assay	Fluorescent reporter	HEK293T–Cas9	HEK293T	CVCL_0063	null	Homo sapiens	109	nM	5	null	null	null	null	null	null	null	null	null	null	null	null	null	QUGBKWYKYATQSZ-LLVKDONJSA-N	OPSIN	QUGBKWYKYATQSZ
AUTOTPD-MG-000009	10.1038/s41589-023-01409-z	DS24	(R)-2-((6-((3-fluoro-4-(pyridin-2-yl)benzyl)amino)-9-isopropyl-9H-purin-2-yl)amino)butan-1-ol	null	CC[C@H](CO)Nc1nc(NCc2ccc(-c3ccccn3)c(F)c2)c2ncn(C(C)C)c2n1	DZJLJYVQLLFULK-QGZVFWFLSA-N	OPSIN	cyclin K	CCNK	O75909	null	MKENKENSSPSVTSANLDHTKPCWYWDKKDLAHTPSQLEGLDPATEARYRREGARFIFDVGTRLGLHYDTLATGIIYFHRFYMFHSFKQFPRYVTGACCLFLAGKVEETPKKCKDIIKTARSLLNDVQFGQFGDDPKEEVMVLERILLQTIKFDLQVEHPYQFLLKYAKQLKGDKNKIQKLVQMAWTFVNDSLCTTLSLQWEPEIIAVAVMYLAGRLCKFEIQEWTSKPMYRRWWEQFVQDVPVDVLEDICHQILDLYSQGKQQMPHHTPHQLQQPPSLQPTPQVPQVQQSQPSQSSEPSQPQQKDPQQPAQQQQPAQQP...	DDB1–CUL4–RBX1	DDB1	Q16531	MSYNYVVTAQKPTAVNGCVTGHFTSAEDLNLLIAKNTRLEIYVVTAEGLRPVKEVGMYGKIAVMELFRPKGESKDLLFILTAKYNACILEYKQSGESIDIITRAHGNVQDRIGRPSETGIIGIIDPECRMIGLRLYDGLFKVIPLDRDNKELKAFNIRLEELHVIDVKFLYGCQAPTICFVYQDPQGRHVKTYEVSLREKEFNKGPWKQENVEAEASMVIAVPEPFGGAIIIGQESITYHNGDKYLAIAPPIIKQSTIVCHNRVDPNGSRYLLGDMEGRLFMLLLEKEEQMDGTVTLKDLRVELLGETSIAECLTYLDNG...	HEK293T cyclin K–eGFP reporter assay	Fluorescent reporter	HEK293T–Cas9	HEK293T	CVCL_0063	null	Homo sapiens	172	nM	5	null	null	null	null	null	null	null	null	null	null	null	null	null	DZJLJYVQLLFULK-QGZVFWFLSA-N	OPSIN	DZJLJYVQLLFULK
AUTOTPD-MG-000010	10.1038/s41589-023-01409-z	DS25	(R)-2-((9-isopropyl-6-((4-(5-methylthiophen-2-yl)benzyl)amino)-9H-purin-2-yl)amino)butan-1-ol	null	CC[C@H](CO)Nc1nc(NCc2ccc(-c3ccc(C)s3)cc2)c2ncn(C(C)C)c2n1	IGJPGKABXPANSO-LJQANCHMSA-N	OPSIN	cyclin K	CCNK	O75909	null	MKENKENSSPSVTSANLDHTKPCWYWDKKDLAHTPSQLEGLDPATEARYRREGARFIFDVGTRLGLHYDTLATGIIYFHRFYMFHSFKQFPRYVTGACCLFLAGKVEETPKKCKDIIKTARSLLNDVQFGQFGDDPKEEVMVLERILLQTIKFDLQVEHPYQFLLKYAKQLKGDKNKIQKLVQMAWTFVNDSLCTTLSLQWEPEIIAVAVMYLAGRLCKFEIQEWTSKPMYRRWWEQFVQDVPVDVLEDICHQILDLYSQGKQQMPHHTPHQLQQPPSLQPTPQVPQVQQSQPSQSSEPSQPQQKDPQQPAQQQQPAQQP...	DDB1–CUL4–RBX1	DDB1	Q16531	MSYNYVVTAQKPTAVNGCVTGHFTSAEDLNLLIAKNTRLEIYVVTAEGLRPVKEVGMYGKIAVMELFRPKGESKDLLFILTAKYNACILEYKQSGESIDIITRAHGNVQDRIGRPSETGIIGIIDPECRMIGLRLYDGLFKVIPLDRDNKELKAFNIRLEELHVIDVKFLYGCQAPTICFVYQDPQGRHVKTYEVSLREKEFNKGPWKQENVEAEASMVIAVPEPFGGAIIIGQESITYHNGDKYLAIAPPIIKQSTIVCHNRVDPNGSRYLLGDMEGRLFMLLLEKEEQMDGTVTLKDLRVELLGETSIAECLTYLDNG...	HEK293T cyclin K–eGFP reporter assay	Fluorescent reporter	HEK293T–Cas9	HEK293T	CVCL_0063	null	Homo sapiens	90	nM	5	null	null	null	null	null	null	null	null	null	null	null	null	null	IGJPGKABXPANSO-LJQANCHMSA-N	OPSIN	IGJPGKABXPANSO
AUTOTPD-MG-000011	10.1038/s41589-023-01409-z	DS28	(S)-2-((9-isopropyl-6-((4-(pyridin-2-yl)benzyl)amino)-9H-purin-2-yl)amino)butan-1-ol	null	CC[C@@H](CO)Nc1nc(NCc2ccc(-c3ccccn3)cc2)c2ncn(C(C)C)c2n1	HOCBJBNQIQQQGT-IBGZPJMESA-N	OPSIN	cyclin K	CCNK	O75909	null	MKENKENSSPSVTSANLDHTKPCWYWDKKDLAHTPSQLEGLDPATEARYRREGARFIFDVGTRLGLHYDTLATGIIYFHRFYMFHSFKQFPRYVTGACCLFLAGKVEETPKKCKDIIKTARSLLNDVQFGQFGDDPKEEVMVLERILLQTIKFDLQVEHPYQFLLKYAKQLKGDKNKIQKLVQMAWTFVNDSLCTTLSLQWEPEIIAVAVMYLAGRLCKFEIQEWTSKPMYRRWWEQFVQDVPVDVLEDICHQILDLYSQGKQQMPHHTPHQLQQPPSLQPTPQVPQVQQSQPSQSSEPSQPQQKDPQQPAQQQQPAQQP...	DDB1–CUL4–RBX1	DDB1	Q16531	MSYNYVVTAQKPTAVNGCVTGHFTSAEDLNLLIAKNTRLEIYVVTAEGLRPVKEVGMYGKIAVMELFRPKGESKDLLFILTAKYNACILEYKQSGESIDIITRAHGNVQDRIGRPSETGIIGIIDPECRMIGLRLYDGLFKVIPLDRDNKELKAFNIRLEELHVIDVKFLYGCQAPTICFVYQDPQGRHVKTYEVSLREKEFNKGPWKQENVEAEASMVIAVPEPFGGAIIIGQESITYHNGDKYLAIAPPIIKQSTIVCHNRVDPNGSRYLLGDMEGRLFMLLLEKEEQMDGTVTLKDLRVELLGETSIAECLTYLDNG...	HEK293T cyclin K–eGFP reporter assay	Fluorescent reporter	HEK293T–Cas9	HEK293T	CVCL_0063	null	Homo sapiens	27	nM	5	null	null	null	null	null	null	null	null	null	null	null	null	null	HOCBJBNQIQQQGT-IBGZPJMESA-N	OPSIN	HOCBJBNQIQQQGT
AUTOTPD-MG-000012	10.1038/s41589-023-01409-z	DS29	(R)-2-((6-((3-(3-fluorophenyl)propyl)amino)-9-isopropyl-9H-purin-2-yl)amino)butan-1-ol	null	CC[C@H](CO)Nc1nc(NCCCc2cccc(F)c2)c2ncn(C(C)C)c2n1	CQVNQDCOBDXVMZ-QGZVFWFLSA-N	OPSIN	cyclin K	CCNK	O75909	null	MKENKENSSPSVTSANLDHTKPCWYWDKKDLAHTPSQLEGLDPATEARYRREGARFIFDVGTRLGLHYDTLATGIIYFHRFYMFHSFKQFPRYVTGACCLFLAGKVEETPKKCKDIIKTARSLLNDVQFGQFGDDPKEEVMVLERILLQTIKFDLQVEHPYQFLLKYAKQLKGDKNKIQKLVQMAWTFVNDSLCTTLSLQWEPEIIAVAVMYLAGRLCKFEIQEWTSKPMYRRWWEQFVQDVPVDVLEDICHQILDLYSQGKQQMPHHTPHQLQQPPSLQPTPQVPQVQQSQPSQSSEPSQPQQKDPQQPAQQQQPAQQP...	DDB1–CUL4–RBX1	DDB1	Q16531	MSYNYVVTAQKPTAVNGCVTGHFTSAEDLNLLIAKNTRLEIYVVTAEGLRPVKEVGMYGKIAVMELFRPKGESKDLLFILTAKYNACILEYKQSGESIDIITRAHGNVQDRIGRPSETGIIGIIDPECRMIGLRLYDGLFKVIPLDRDNKELKAFNIRLEELHVIDVKFLYGCQAPTICFVYQDPQGRHVKTYEVSLREKEFNKGPWKQENVEAEASMVIAVPEPFGGAIIIGQESITYHNGDKYLAIAPPIIKQSTIVCHNRVDPNGSRYLLGDMEGRLFMLLLEKEEQMDGTVTLKDLRVELLGETSIAECLTYLDNG...	HEK293T cyclin K–eGFP reporter assay	Fluorescent reporter	HEK293T–Cas9	HEK293T	CVCL_0063	null	Homo sapiens	253	nM	5	null	null	null	null	null	null	null	null	null	null	null	null	null	CQVNQDCOBDXVMZ-QGZVFWFLSA-N	OPSIN	CQVNQDCOBDXVMZ
AUTOTPD-MG-000013	10.1038/s41589-023-01409-z	DS30	(R)-2-((9-isopropyl-6-((3-(m-tolyl)propyl)amino)-9H-purin-2-yl)amino)butan-1-ol	null	CC[C@H](CO)Nc1nc(NCCCc2cccc(C)c2)c2ncn(C(C)C)c2n1	IAQVCGQJJMTIMM-GOSISDBHSA-N	OPSIN	cyclin K	CCNK	O75909	null	MKENKENSSPSVTSANLDHTKPCWYWDKKDLAHTPSQLEGLDPATEARYRREGARFIFDVGTRLGLHYDTLATGIIYFHRFYMFHSFKQFPRYVTGACCLFLAGKVEETPKKCKDIIKTARSLLNDVQFGQFGDDPKEEVMVLERILLQTIKFDLQVEHPYQFLLKYAKQLKGDKNKIQKLVQMAWTFVNDSLCTTLSLQWEPEIIAVAVMYLAGRLCKFEIQEWTSKPMYRRWWEQFVQDVPVDVLEDICHQILDLYSQGKQQMPHHTPHQLQQPPSLQPTPQVPQVQQSQPSQSSEPSQPQQKDPQQPAQQQQPAQQP...	DDB1–CUL4–RBX1	DDB1	Q16531	MSYNYVVTAQKPTAVNGCVTGHFTSAEDLNLLIAKNTRLEIYVVTAEGLRPVKEVGMYGKIAVMELFRPKGESKDLLFILTAKYNACILEYKQSGESIDIITRAHGNVQDRIGRPSETGIIGIIDPECRMIGLRLYDGLFKVIPLDRDNKELKAFNIRLEELHVIDVKFLYGCQAPTICFVYQDPQGRHVKTYEVSLREKEFNKGPWKQENVEAEASMVIAVPEPFGGAIIIGQESITYHNGDKYLAIAPPIIKQSTIVCHNRVDPNGSRYLLGDMEGRLFMLLLEKEEQMDGTVTLKDLRVELLGETSIAECLTYLDNG...	HEK293T cyclin K–eGFP reporter assay	Fluorescent reporter	HEK293T–Cas9	HEK293T	CVCL_0063	null	Homo sapiens	78	nM	5	null	null	null	null	null	null	null	null	null	null	null	null	null	IAQVCGQJJMTIMM-GOSISDBHSA-N	OPSIN	IAQVCGQJJMTIMM
AUTOTPD-MG-000014	10.1038/s41589-023-01409-z	DS43	(R)-2-((6-(((1-(3-chlorophenyl)-1H-pyrazol-3-yl)methyl)amino)-9-isopropyl-9H-purin-2 yl)amino)butan-1-ol	null	CC[C@H](CO)Nc1nc(NCc2ccn(-c3cccc(Cl)c3)n2)c2ncn(C(C)C)c2n1	XQOCHZAMFJBROM-MRXNPFEDSA-N	OPSIN	cyclin K	CCNK	O75909	null	MKENKENSSPSVTSANLDHTKPCWYWDKKDLAHTPSQLEGLDPATEARYRREGARFIFDVGTRLGLHYDTLATGIIYFHRFYMFHSFKQFPRYVTGACCLFLAGKVEETPKKCKDIIKTARSLLNDVQFGQFGDDPKEEVMVLERILLQTIKFDLQVEHPYQFLLKYAKQLKGDKNKIQKLVQMAWTFVNDSLCTTLSLQWEPEIIAVAVMYLAGRLCKFEIQEWTSKPMYRRWWEQFVQDVPVDVLEDICHQILDLYSQGKQQMPHHTPHQLQQPPSLQPTPQVPQVQQSQPSQSSEPSQPQQKDPQQPAQQQQPAQQP...	DDB1–CUL4–RBX1	DDB1	Q16531	MSYNYVVTAQKPTAVNGCVTGHFTSAEDLNLLIAKNTRLEIYVVTAEGLRPVKEVGMYGKIAVMELFRPKGESKDLLFILTAKYNACILEYKQSGESIDIITRAHGNVQDRIGRPSETGIIGIIDPECRMIGLRLYDGLFKVIPLDRDNKELKAFNIRLEELHVIDVKFLYGCQAPTICFVYQDPQGRHVKTYEVSLREKEFNKGPWKQENVEAEASMVIAVPEPFGGAIIIGQESITYHNGDKYLAIAPPIIKQSTIVCHNRVDPNGSRYLLGDMEGRLFMLLLEKEEQMDGTVTLKDLRVELLGETSIAECLTYLDNG...	HEK293T cyclin K–eGFP reporter assay	Fluorescent reporter	HEK293T–Cas9	HEK293T	CVCL_0063	null	Homo sapiens	75	nM	5	null	null	null	null	null	null	null	null	null	null	null	null	null	XQOCHZAMFJBROM-MRXNPFEDSA-N	OPSIN	XQOCHZAMFJBROM
AUTOTPD-MG-000015	10.1038/s41589-023-01409-z	DS44	(R)-2-((9-isopropyl-6-((4-(pyridin-4-yl)benzyl)amino)-9H-purin-2-yl)amino)butan-1-ol	null	CC[C@H](CO)Nc1nc(NCc2ccc(-c3ccncc3)cc2)c2ncn(C(C)C)c2n1	UQRBOMYWGJFNEB-HXUWFJFHSA-N	OPSIN	cyclin K	CCNK	O75909	null	MKENKENSSPSVTSANLDHTKPCWYWDKKDLAHTPSQLEGLDPATEARYRREGARFIFDVGTRLGLHYDTLATGIIYFHRFYMFHSFKQFPRYVTGACCLFLAGKVEETPKKCKDIIKTARSLLNDVQFGQFGDDPKEEVMVLERILLQTIKFDLQVEHPYQFLLKYAKQLKGDKNKIQKLVQMAWTFVNDSLCTTLSLQWEPEIIAVAVMYLAGRLCKFEIQEWTSKPMYRRWWEQFVQDVPVDVLEDICHQILDLYSQGKQQMPHHTPHQLQQPPSLQPTPQVPQVQQSQPSQSSEPSQPQQKDPQQPAQQQQPAQQP...	DDB1–CUL4–RBX1	DDB1	Q16531	MSYNYVVTAQKPTAVNGCVTGHFTSAEDLNLLIAKNTRLEIYVVTAEGLRPVKEVGMYGKIAVMELFRPKGESKDLLFILTAKYNACILEYKQSGESIDIITRAHGNVQDRIGRPSETGIIGIIDPECRMIGLRLYDGLFKVIPLDRDNKELKAFNIRLEELHVIDVKFLYGCQAPTICFVYQDPQGRHVKTYEVSLREKEFNKGPWKQENVEAEASMVIAVPEPFGGAIIIGQESITYHNGDKYLAIAPPIIKQSTIVCHNRVDPNGSRYLLGDMEGRLFMLLLEKEEQMDGTVTLKDLRVELLGETSIAECLTYLDNG...	HEK293T cyclin K–eGFP reporter assay	Fluorescent reporter	HEK293T–Cas9	HEK293T	CVCL_0063	null	Homo sapiens	62	nM	5	null	null	null	null	null	null	null	null	null	null	null	null	null	UQRBOMYWGJFNEB-HXUWFJFHSA-N	OPSIN	UQRBOMYWGJFNEB
AUTOTPD-MG-000016	10.1038/s41589-023-01409-z	DS45	(R)-2-((9-isopropyl-6-((4-(pyridin-3-yl)benzyl)amino)-9H-purin-2-yl)amino)butan-1-ol	null	CC[C@H](CO)Nc1nc(NCc2ccc(-c3cccnc3)cc2)c2ncn(C(C)C)c2n1	AXLQKORZTHWACD-HXUWFJFHSA-N	OPSIN	cyclin K	CCNK	O75909	null	MKENKENSSPSVTSANLDHTKPCWYWDKKDLAHTPSQLEGLDPATEARYRREGARFIFDVGTRLGLHYDTLATGIIYFHRFYMFHSFKQFPRYVTGACCLFLAGKVEETPKKCKDIIKTARSLLNDVQFGQFGDDPKEEVMVLERILLQTIKFDLQVEHPYQFLLKYAKQLKGDKNKIQKLVQMAWTFVNDSLCTTLSLQWEPEIIAVAVMYLAGRLCKFEIQEWTSKPMYRRWWEQFVQDVPVDVLEDICHQILDLYSQGKQQMPHHTPHQLQQPPSLQPTPQVPQVQQSQPSQSSEPSQPQQKDPQQPAQQQQPAQQP...	DDB1–CUL4–RBX1	DDB1	Q16531	MSYNYVVTAQKPTAVNGCVTGHFTSAEDLNLLIAKNTRLEIYVVTAEGLRPVKEVGMYGKIAVMELFRPKGESKDLLFILTAKYNACILEYKQSGESIDIITRAHGNVQDRIGRPSETGIIGIIDPECRMIGLRLYDGLFKVIPLDRDNKELKAFNIRLEELHVIDVKFLYGCQAPTICFVYQDPQGRHVKTYEVSLREKEFNKGPWKQENVEAEASMVIAVPEPFGGAIIIGQESITYHNGDKYLAIAPPIIKQSTIVCHNRVDPNGSRYLLGDMEGRLFMLLLEKEEQMDGTVTLKDLRVELLGETSIAECLTYLDNG...	HEK293T cyclin K–eGFP reporter assay	Fluorescent reporter	HEK293T–Cas9	HEK293T	CVCL_0063	null	Homo sapiens	36	nM	5	null	null	null	null	null	null	null	null	null	null	null	null	null	AXLQKORZTHWACD-HXUWFJFHSA-N	OPSIN	AXLQKORZTHWACD
AUTOTPD-MG-000017	10.1038/s41589-023-01409-z	DS50	2-((9-isopropyl-6-((4-(pyridin-2-yl)benzyl)amino)-9H-purin-2-yl)amino)-N-(2-methoxyphenethyl)acetamide	null	COc1ccccc1CCNC(=O)CNc1nc(NCc2ccc(-c3ccccn3)cc2)c2ncn(C(C)C)c2n1	FAZBCDJEMSESAO-UHFFFAOYSA-N	OPSIN	cyclin K	CCNK	O75909	null	MKENKENSSPSVTSANLDHTKPCWYWDKKDLAHTPSQLEGLDPATEARYRREGARFIFDVGTRLGLHYDTLATGIIYFHRFYMFHSFKQFPRYVTGACCLFLAGKVEETPKKCKDIIKTARSLLNDVQFGQFGDDPKEEVMVLERILLQTIKFDLQVEHPYQFLLKYAKQLKGDKNKIQKLVQMAWTFVNDSLCTTLSLQWEPEIIAVAVMYLAGRLCKFEIQEWTSKPMYRRWWEQFVQDVPVDVLEDICHQILDLYSQGKQQMPHHTPHQLQQPPSLQPTPQVPQVQQSQPSQSSEPSQPQQKDPQQPAQQQQPAQQP...	DDB1–CUL4–RBX1	DDB1	Q16531	MSYNYVVTAQKPTAVNGCVTGHFTSAEDLNLLIAKNTRLEIYVVTAEGLRPVKEVGMYGKIAVMELFRPKGESKDLLFILTAKYNACILEYKQSGESIDIITRAHGNVQDRIGRPSETGIIGIIDPECRMIGLRLYDGLFKVIPLDRDNKELKAFNIRLEELHVIDVKFLYGCQAPTICFVYQDPQGRHVKTYEVSLREKEFNKGPWKQENVEAEASMVIAVPEPFGGAIIIGQESITYHNGDKYLAIAPPIIKQSTIVCHNRVDPNGSRYLLGDMEGRLFMLLLEKEEQMDGTVTLKDLRVELLGETSIAECLTYLDNG...	HEK293T cyclin K–eGFP reporter assay	Fluorescent reporter	HEK293T–Cas9	HEK293T	CVCL_0063	null	Homo sapiens	3,569	nM	5	null	null	null	null	null	null	null	null	null	null	null	null	null	FAZBCDJEMSESAO-UHFFFAOYSA-N	OPSIN	FAZBCDJEMSESAO
AUTOTPD-MG-000018	10.1038/s41589-023-01409-z	DS17	(R)-2-((6-(((5,6-dichloro-1H-benzo[d]imidazol-2-yl)methyl)amino)-9-isopropyl-9H-purin-2 yl)amino)butan-1-ol	null	CC[C@H](CO)Nc1nc(NCc2nc3cc(Cl)c(Cl)cc3[nH]2)c2ncn(C(C)C)c2n1	NIAQZRDKVVUEMV-LLVKDONJSA-N	OPSIN	cyclin K	CCNK	O75909	null	MKENKENSSPSVTSANLDHTKPCWYWDKKDLAHTPSQLEGLDPATEARYRREGARFIFDVGTRLGLHYDTLATGIIYFHRFYMFHSFKQFPRYVTGACCLFLAGKVEETPKKCKDIIKTARSLLNDVQFGQFGDDPKEEVMVLERILLQTIKFDLQVEHPYQFLLKYAKQLKGDKNKIQKLVQMAWTFVNDSLCTTLSLQWEPEIIAVAVMYLAGRLCKFEIQEWTSKPMYRRWWEQFVQDVPVDVLEDICHQILDLYSQGKQQMPHHTPHQLQQPPSLQPTPQVPQVQQSQPSQSSEPSQPQQKDPQQPAQQQQPAQQP...	DDB1–CUL4–RBX1	DDB1	Q16531	MSYNYVVTAQKPTAVNGCVTGHFTSAEDLNLLIAKNTRLEIYVVTAEGLRPVKEVGMYGKIAVMELFRPKGESKDLLFILTAKYNACILEYKQSGESIDIITRAHGNVQDRIGRPSETGIIGIIDPECRMIGLRLYDGLFKVIPLDRDNKELKAFNIRLEELHVIDVKFLYGCQAPTICFVYQDPQGRHVKTYEVSLREKEFNKGPWKQENVEAEASMVIAVPEPFGGAIIIGQESITYHNGDKYLAIAPPIIKQSTIVCHNRVDPNGSRYLLGDMEGRLFMLLLEKEEQMDGTVTLKDLRVELLGETSIAECLTYLDNG...	HEK293T cyclin K–eGFP reporter assay	Fluorescent reporter	HEK293T–Cas9	HEK293T	CVCL_0063	null	Homo sapiens	12	nM	5	null	null	null	null	null	null	null	null	null	null	null	null	null	NIAQZRDKVVUEMV-LLVKDONJSA-N	OPSIN	NIAQZRDKVVUEMV
AUTOTPD-MG-000019	10.1038/s41589-023-01409-z	DS52	N2-(2-(1H-pyrazol-4-yl)ethyl)-9-isopropyl-N6-(4-(pyridin-2-yl)benzyl)-9H-purine-2,6-diamine	null	CC(C)n1cnc2c(NCc3ccc(-c4ccccn4)cc3)nc(NCCc3cn[nH]c3)nc21	ZPVLGUHALYPMCR-UHFFFAOYSA-N	OPSIN	cyclin K	CCNK	O75909	null	MKENKENSSPSVTSANLDHTKPCWYWDKKDLAHTPSQLEGLDPATEARYRREGARFIFDVGTRLGLHYDTLATGIIYFHRFYMFHSFKQFPRYVTGACCLFLAGKVEETPKKCKDIIKTARSLLNDVQFGQFGDDPKEEVMVLERILLQTIKFDLQVEHPYQFLLKYAKQLKGDKNKIQKLVQMAWTFVNDSLCTTLSLQWEPEIIAVAVMYLAGRLCKFEIQEWTSKPMYRRWWEQFVQDVPVDVLEDICHQILDLYSQGKQQMPHHTPHQLQQPPSLQPTPQVPQVQQSQPSQSSEPSQPQQKDPQQPAQQQQPAQQP...	DDB1–CUL4–RBX1	DDB1	Q16531	MSYNYVVTAQKPTAVNGCVTGHFTSAEDLNLLIAKNTRLEIYVVTAEGLRPVKEVGMYGKIAVMELFRPKGESKDLLFILTAKYNACILEYKQSGESIDIITRAHGNVQDRIGRPSETGIIGIIDPECRMIGLRLYDGLFKVIPLDRDNKELKAFNIRLEELHVIDVKFLYGCQAPTICFVYQDPQGRHVKTYEVSLREKEFNKGPWKQENVEAEASMVIAVPEPFGGAIIIGQESITYHNGDKYLAIAPPIIKQSTIVCHNRVDPNGSRYLLGDMEGRLFMLLLEKEEQMDGTVTLKDLRVELLGETSIAECLTYLDNG...	HEK293T cyclin K–eGFP reporter assay	Fluorescent reporter	HEK293T–Cas9	HEK293T	CVCL_0063	null	Homo sapiens	125	nM	5	null	null	null	null	null	null	null	null	null	null	null	null	null	ZPVLGUHALYPMCR-UHFFFAOYSA-N	OPSIN	ZPVLGUHALYPMCR
AUTOTPD-MG-000020	10.1038/s41589-023-01409-z	DS53	(R)-2-((6-(([2,4'-bipyridin]-5-ylmethyl)amino)-9-isopropyl-9H-purin-2-yl)amino)butan-1-ol	null	CC[C@H](CO)Nc1nc(NCc2ccc(-c3ccncc3)nc2)c2ncn(C(C)C)c2n1	NPMNSMOOUPMFMV-GOSISDBHSA-N	OPSIN	cyclin K	CCNK	O75909	null	MKENKENSSPSVTSANLDHTKPCWYWDKKDLAHTPSQLEGLDPATEARYRREGARFIFDVGTRLGLHYDTLATGIIYFHRFYMFHSFKQFPRYVTGACCLFLAGKVEETPKKCKDIIKTARSLLNDVQFGQFGDDPKEEVMVLERILLQTIKFDLQVEHPYQFLLKYAKQLKGDKNKIQKLVQMAWTFVNDSLCTTLSLQWEPEIIAVAVMYLAGRLCKFEIQEWTSKPMYRRWWEQFVQDVPVDVLEDICHQILDLYSQGKQQMPHHTPHQLQQPPSLQPTPQVPQVQQSQPSQSSEPSQPQQKDPQQPAQQQQPAQQP...	DDB1–CUL4–RBX1	DDB1	Q16531	MSYNYVVTAQKPTAVNGCVTGHFTSAEDLNLLIAKNTRLEIYVVTAEGLRPVKEVGMYGKIAVMELFRPKGESKDLLFILTAKYNACILEYKQSGESIDIITRAHGNVQDRIGRPSETGIIGIIDPECRMIGLRLYDGLFKVIPLDRDNKELKAFNIRLEELHVIDVKFLYGCQAPTICFVYQDPQGRHVKTYEVSLREKEFNKGPWKQENVEAEASMVIAVPEPFGGAIIIGQESITYHNGDKYLAIAPPIIKQSTIVCHNRVDPNGSRYLLGDMEGRLFMLLLEKEEQMDGTVTLKDLRVELLGETSIAECLTYLDNG...	HEK293T cyclin K–eGFP reporter assay	Fluorescent reporter	HEK293T–Cas9	HEK293T	CVCL_0063	null	Homo sapiens	260	nM	5	null	null	null	null	null	null	null	null	null	null	null	null	null	NPMNSMOOUPMFMV-GOSISDBHSA-N	OPSIN	NPMNSMOOUPMFMV
AUTOTPD-MG-000021	10.1038/s41589-023-01409-z	DS57	N2-(2-(1H-pyrazol-4-yl)ethyl)-N6-((5,6-dichloro-1H-benzo[d]imidazol-2-yl)methyl)-9-(1-methyl-1H-pyrazol-4-yl)-9H-purine-2,6-diamine	null	Cn1cc(-n2cnc3c(NCc4nc5cc(Cl)c(Cl)cc5[nH]4)nc(NCCc4cn[nH]c4)nc32)cn1	DKIVKUGXNDYWCX-UHFFFAOYSA-N	OPSIN	cyclin K	CCNK	O75909	null	MKENKENSSPSVTSANLDHTKPCWYWDKKDLAHTPSQLEGLDPATEARYRREGARFIFDVGTRLGLHYDTLATGIIYFHRFYMFHSFKQFPRYVTGACCLFLAGKVEETPKKCKDIIKTARSLLNDVQFGQFGDDPKEEVMVLERILLQTIKFDLQVEHPYQFLLKYAKQLKGDKNKIQKLVQMAWTFVNDSLCTTLSLQWEPEIIAVAVMYLAGRLCKFEIQEWTSKPMYRRWWEQFVQDVPVDVLEDICHQILDLYSQGKQQMPHHTPHQLQQPPSLQPTPQVPQVQQSQPSQSSEPSQPQQKDPQQPAQQQQPAQQP...	DDB1–CUL4–RBX1	DDB1	Q16531	MSYNYVVTAQKPTAVNGCVTGHFTSAEDLNLLIAKNTRLEIYVVTAEGLRPVKEVGMYGKIAVMELFRPKGESKDLLFILTAKYNACILEYKQSGESIDIITRAHGNVQDRIGRPSETGIIGIIDPECRMIGLRLYDGLFKVIPLDRDNKELKAFNIRLEELHVIDVKFLYGCQAPTICFVYQDPQGRHVKTYEVSLREKEFNKGPWKQENVEAEASMVIAVPEPFGGAIIIGQESITYHNGDKYLAIAPPIIKQSTIVCHNRVDPNGSRYLLGDMEGRLFMLLLEKEEQMDGTVTLKDLRVELLGETSIAECLTYLDNG...	HEK293T cyclin K–eGFP reporter assay	Fluorescent reporter	HEK293T–Cas9	HEK293T	CVCL_0063	null	Homo sapiens	587	nM	5	null	null	null	null	null	null	null	null	null	null	null	null	null	DKIVKUGXNDYWCX-UHFFFAOYSA-N	OPSIN	DKIVKUGXNDYWCX
AUTOTPD-MG-000022	10.1038/s41589-023-01409-z	DS58	(S)-N2-(2-(4-(benzyloxy)phenyl)-1-(4H-1,2,4-triazol-3-yl)ethyl)-9-isopropyl-N6-(4-(pyridin-2 yl)benzyl)-9H-purine-2,6-diamine	null	CC(C)n1cnc2c(NCc3ccc(-c4ccccn4)cc3)nc(N[C@@H](Cc3ccc(OCc4ccccc4)cc3)c3nnc[nH]3)nc21	FKXVDBYFBFHXLL-YTTGMZPUSA-N	OPSIN	cyclin K	CCNK	O75909	null	MKENKENSSPSVTSANLDHTKPCWYWDKKDLAHTPSQLEGLDPATEARYRREGARFIFDVGTRLGLHYDTLATGIIYFHRFYMFHSFKQFPRYVTGACCLFLAGKVEETPKKCKDIIKTARSLLNDVQFGQFGDDPKEEVMVLERILLQTIKFDLQVEHPYQFLLKYAKQLKGDKNKIQKLVQMAWTFVNDSLCTTLSLQWEPEIIAVAVMYLAGRLCKFEIQEWTSKPMYRRWWEQFVQDVPVDVLEDICHQILDLYSQGKQQMPHHTPHQLQQPPSLQPTPQVPQVQQSQPSQSSEPSQPQQKDPQQPAQQQQPAQQP...	DDB1–CUL4–RBX1	DDB1	Q16531	MSYNYVVTAQKPTAVNGCVTGHFTSAEDLNLLIAKNTRLEIYVVTAEGLRPVKEVGMYGKIAVMELFRPKGESKDLLFILTAKYNACILEYKQSGESIDIITRAHGNVQDRIGRPSETGIIGIIDPECRMIGLRLYDGLFKVIPLDRDNKELKAFNIRLEELHVIDVKFLYGCQAPTICFVYQDPQGRHVKTYEVSLREKEFNKGPWKQENVEAEASMVIAVPEPFGGAIIIGQESITYHNGDKYLAIAPPIIKQSTIVCHNRVDPNGSRYLLGDMEGRLFMLLLEKEEQMDGTVTLKDLRVELLGETSIAECLTYLDNG...	HEK293T cyclin K–eGFP reporter assay	Fluorescent reporter	HEK293T–Cas9	HEK293T	CVCL_0063	null	Homo sapiens	2,020	nM	5	null	null	null	null	null	null	null	null	null	null	null	null	null	FKXVDBYFBFHXLL-YTTGMZPUSA-N	OPSIN	FKXVDBYFBFHXLL
AUTOTPD-MG-000023	10.1038/s41589-023-01409-z	DS59	5-(((9-isopropyl-6-((4-(pyridin-2-yl)benzyl)amino)-9H-purin-2-yl)amino)methyl)-1,3-dimethyl-1H-pyrazole-4-sulfonamide	null	Cc1nn(C)c(CNc2nc(NCc3ccc(-c4ccccn4)cc3)c3ncn(C(C)C)c3n2)c1S(N)(=O)=O	DCNMIIRVWOSZDG-UHFFFAOYSA-N	OPSIN	cyclin K	CCNK	O75909	null	MKENKENSSPSVTSANLDHTKPCWYWDKKDLAHTPSQLEGLDPATEARYRREGARFIFDVGTRLGLHYDTLATGIIYFHRFYMFHSFKQFPRYVTGACCLFLAGKVEETPKKCKDIIKTARSLLNDVQFGQFGDDPKEEVMVLERILLQTIKFDLQVEHPYQFLLKYAKQLKGDKNKIQKLVQMAWTFVNDSLCTTLSLQWEPEIIAVAVMYLAGRLCKFEIQEWTSKPMYRRWWEQFVQDVPVDVLEDICHQILDLYSQGKQQMPHHTPHQLQQPPSLQPTPQVPQVQQSQPSQSSEPSQPQQKDPQQPAQQQQPAQQP...	DDB1–CUL4–RBX1	DDB1	Q16531	MSYNYVVTAQKPTAVNGCVTGHFTSAEDLNLLIAKNTRLEIYVVTAEGLRPVKEVGMYGKIAVMELFRPKGESKDLLFILTAKYNACILEYKQSGESIDIITRAHGNVQDRIGRPSETGIIGIIDPECRMIGLRLYDGLFKVIPLDRDNKELKAFNIRLEELHVIDVKFLYGCQAPTICFVYQDPQGRHVKTYEVSLREKEFNKGPWKQENVEAEASMVIAVPEPFGGAIIIGQESITYHNGDKYLAIAPPIIKQSTIVCHNRVDPNGSRYLLGDMEGRLFMLLLEKEEQMDGTVTLKDLRVELLGETSIAECLTYLDNG...	HEK293T cyclin K–eGFP reporter assay	Fluorescent reporter	HEK293T–Cas9	HEK293T	CVCL_0063	null	Homo sapiens	566	nM	5	null	null	null	null	null	null	null	null	null	null	null	null	null	DCNMIIRVWOSZDG-UHFFFAOYSA-N	OPSIN	DCNMIIRVWOSZDG
AUTOTPD-MG-000024	10.1038/s41589-023-01409-z	DS61	(R)-2-((6-((4-(2-hydroxyethoxy)benzyl)amino)-9-isopropyl-9H-purin-2-yl)amino)butan-1-ol	null	CC[C@H](CO)Nc1nc(NCc2ccc(OCCO)cc2)c2ncn(C(C)C)c2n1	AFLLXNOWMGJTAA-MRXNPFEDSA-N	OPSIN	cyclin K	CCNK	O75909	null	MKENKENSSPSVTSANLDHTKPCWYWDKKDLAHTPSQLEGLDPATEARYRREGARFIFDVGTRLGLHYDTLATGIIYFHRFYMFHSFKQFPRYVTGACCLFLAGKVEETPKKCKDIIKTARSLLNDVQFGQFGDDPKEEVMVLERILLQTIKFDLQVEHPYQFLLKYAKQLKGDKNKIQKLVQMAWTFVNDSLCTTLSLQWEPEIIAVAVMYLAGRLCKFEIQEWTSKPMYRRWWEQFVQDVPVDVLEDICHQILDLYSQGKQQMPHHTPHQLQQPPSLQPTPQVPQVQQSQPSQSSEPSQPQQKDPQQPAQQQQPAQQP...	DDB1–CUL4–RBX1	DDB1	Q16531	MSYNYVVTAQKPTAVNGCVTGHFTSAEDLNLLIAKNTRLEIYVVTAEGLRPVKEVGMYGKIAVMELFRPKGESKDLLFILTAKYNACILEYKQSGESIDIITRAHGNVQDRIGRPSETGIIGIIDPECRMIGLRLYDGLFKVIPLDRDNKELKAFNIRLEELHVIDVKFLYGCQAPTICFVYQDPQGRHVKTYEVSLREKEFNKGPWKQENVEAEASMVIAVPEPFGGAIIIGQESITYHNGDKYLAIAPPIIKQSTIVCHNRVDPNGSRYLLGDMEGRLFMLLLEKEEQMDGTVTLKDLRVELLGETSIAECLTYLDNG...	HEK293T cyclin K–eGFP reporter assay	Fluorescent reporter	HEK293T–Cas9	HEK293T	CVCL_0063	null	Homo sapiens	917	nM	5	null	null	null	null	null	null	null	null	null	null	null	null	null	AFLLXNOWMGJTAA-MRXNPFEDSA-N	OPSIN	AFLLXNOWMGJTAA
AUTOTPD-MG-000025	10.1038/s41589-023-01409-z	DS65	(R)-2-((6-((3-(3,4-dichlorophenyl)propyl)amino)-9-isopropyl-9H-purin-2-yl)amino)butan-1-ol	null	CC[C@H](CO)Nc1nc(NCCCc2ccc(Cl)c(Cl)c2)c2ncn(C(C)C)c2n1	OLTUKTKUEARKCY-OAHLLOKOSA-N	OPSIN	cyclin K	CCNK	O75909	null	MKENKENSSPSVTSANLDHTKPCWYWDKKDLAHTPSQLEGLDPATEARYRREGARFIFDVGTRLGLHYDTLATGIIYFHRFYMFHSFKQFPRYVTGACCLFLAGKVEETPKKCKDIIKTARSLLNDVQFGQFGDDPKEEVMVLERILLQTIKFDLQVEHPYQFLLKYAKQLKGDKNKIQKLVQMAWTFVNDSLCTTLSLQWEPEIIAVAVMYLAGRLCKFEIQEWTSKPMYRRWWEQFVQDVPVDVLEDICHQILDLYSQGKQQMPHHTPHQLQQPPSLQPTPQVPQVQQSQPSQSSEPSQPQQKDPQQPAQQQQPAQQP...	DDB1–CUL4–RBX1	DDB1	Q16531	MSYNYVVTAQKPTAVNGCVTGHFTSAEDLNLLIAKNTRLEIYVVTAEGLRPVKEVGMYGKIAVMELFRPKGESKDLLFILTAKYNACILEYKQSGESIDIITRAHGNVQDRIGRPSETGIIGIIDPECRMIGLRLYDGLFKVIPLDRDNKELKAFNIRLEELHVIDVKFLYGCQAPTICFVYQDPQGRHVKTYEVSLREKEFNKGPWKQENVEAEASMVIAVPEPFGGAIIIGQESITYHNGDKYLAIAPPIIKQSTIVCHNRVDPNGSRYLLGDMEGRLFMLLLEKEEQMDGTVTLKDLRVELLGETSIAECLTYLDNG...	HEK293T cyclin K–eGFP reporter assay	Fluorescent reporter	HEK293T–Cas9	HEK293T	CVCL_0063	null	Homo sapiens	103	nM	5	null	null	null	null	null	null	null	null	null	null	null	null	null	OLTUKTKUEARKCY-OAHLLOKOSA-N	OPSIN	OLTUKTKUEARKCY
AUTOTPD-MG-000026	10.1038/s41589-023-01409-z	DS71	8-bromo-N-((4,5-difluoro-1H-benzo[d]imidazol-2-yl)methyl)-2-(4-methylpiperazin-1 yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine	null	CN1CCN(c2nc(NCc3nc4c(F)c(F)ccc4[nH]3)n3ncc(Br)c3n2)CC1	PPZYKPKJVAUJRL-UHFFFAOYSA-N	OPSIN	cyclin K	CCNK	O75909	null	MKENKENSSPSVTSANLDHTKPCWYWDKKDLAHTPSQLEGLDPATEARYRREGARFIFDVGTRLGLHYDTLATGIIYFHRFYMFHSFKQFPRYVTGACCLFLAGKVEETPKKCKDIIKTARSLLNDVQFGQFGDDPKEEVMVLERILLQTIKFDLQVEHPYQFLLKYAKQLKGDKNKIQKLVQMAWTFVNDSLCTTLSLQWEPEIIAVAVMYLAGRLCKFEIQEWTSKPMYRRWWEQFVQDVPVDVLEDICHQILDLYSQGKQQMPHHTPHQLQQPPSLQPTPQVPQVQQSQPSQSSEPSQPQQKDPQQPAQQQQPAQQP...	DDB1–CUL4–RBX1	DDB1	Q16531	MSYNYVVTAQKPTAVNGCVTGHFTSAEDLNLLIAKNTRLEIYVVTAEGLRPVKEVGMYGKIAVMELFRPKGESKDLLFILTAKYNACILEYKQSGESIDIITRAHGNVQDRIGRPSETGIIGIIDPECRMIGLRLYDGLFKVIPLDRDNKELKAFNIRLEELHVIDVKFLYGCQAPTICFVYQDPQGRHVKTYEVSLREKEFNKGPWKQENVEAEASMVIAVPEPFGGAIIIGQESITYHNGDKYLAIAPPIIKQSTIVCHNRVDPNGSRYLLGDMEGRLFMLLLEKEEQMDGTVTLKDLRVELLGETSIAECLTYLDNG...	HEK293T cyclin K–eGFP reporter assay	Fluorescent reporter	HEK293T–Cas9	HEK293T	CVCL_0063	null	Homo sapiens	4	nM	5	null	null	null	null	null	null	null	null	null	null	null	null	null	PPZYKPKJVAUJRL-UHFFFAOYSA-N	OPSIN	PPZYKPKJVAUJRL
AUTOTPD-MG-000027	10.1038/s41589-023-01409-z	DS67	(R)-2-((6-((3-(3-ethylphenyl)propyl)amino)-9-isopropyl-9H-purin-2-yl)amino)butan-1-ol	null	CCc1cccc(CCCNc2nc(N[C@H](CC)CO)nc3c2ncn3C(C)C)c1	ZELMGONKTIAQJA-LJQANCHMSA-N	OPSIN	cyclin K	CCNK	O75909	null	MKENKENSSPSVTSANLDHTKPCWYWDKKDLAHTPSQLEGLDPATEARYRREGARFIFDVGTRLGLHYDTLATGIIYFHRFYMFHSFKQFPRYVTGACCLFLAGKVEETPKKCKDIIKTARSLLNDVQFGQFGDDPKEEVMVLERILLQTIKFDLQVEHPYQFLLKYAKQLKGDKNKIQKLVQMAWTFVNDSLCTTLSLQWEPEIIAVAVMYLAGRLCKFEIQEWTSKPMYRRWWEQFVQDVPVDVLEDICHQILDLYSQGKQQMPHHTPHQLQQPPSLQPTPQVPQVQQSQPSQSSEPSQPQQKDPQQPAQQQQPAQQP...	DDB1–CUL4–RBX1	DDB1	Q16531	MSYNYVVTAQKPTAVNGCVTGHFTSAEDLNLLIAKNTRLEIYVVTAEGLRPVKEVGMYGKIAVMELFRPKGESKDLLFILTAKYNACILEYKQSGESIDIITRAHGNVQDRIGRPSETGIIGIIDPECRMIGLRLYDGLFKVIPLDRDNKELKAFNIRLEELHVIDVKFLYGCQAPTICFVYQDPQGRHVKTYEVSLREKEFNKGPWKQENVEAEASMVIAVPEPFGGAIIIGQESITYHNGDKYLAIAPPIIKQSTIVCHNRVDPNGSRYLLGDMEGRLFMLLLEKEEQMDGTVTLKDLRVELLGETSIAECLTYLDNG...	HEK293T cyclin K–eGFP reporter assay	Fluorescent reporter	HEK293T–Cas9	HEK293T	CVCL_0063	null	Homo sapiens	219	nM	5	null	null	null	null	null	null	null	null	null	null	null	null	null	ZELMGONKTIAQJA-LJQANCHMSA-N	OPSIN	ZELMGONKTIAQJA
AUTOTPD-MG-000028	10.1038/s41589-023-01409-z	DS48	N2-((3,5-dichloropyridin-4-yl)methyl)-9-isopropyl-N6-(4-(pyridin-2-yl)benzyl)-9H-purine-2,6 diamine	null	CC(C)n1cnc2c(NCc3ccc(-c4ccccn4)cc3)nc(NCc3c(Cl)cncc3Cl)nc21	YENZFYNZBFLBNQ-UHFFFAOYSA-N	OPSIN	cyclin K	CCNK	O75909	null	MKENKENSSPSVTSANLDHTKPCWYWDKKDLAHTPSQLEGLDPATEARYRREGARFIFDVGTRLGLHYDTLATGIIYFHRFYMFHSFKQFPRYVTGACCLFLAGKVEETPKKCKDIIKTARSLLNDVQFGQFGDDPKEEVMVLERILLQTIKFDLQVEHPYQFLLKYAKQLKGDKNKIQKLVQMAWTFVNDSLCTTLSLQWEPEIIAVAVMYLAGRLCKFEIQEWTSKPMYRRWWEQFVQDVPVDVLEDICHQILDLYSQGKQQMPHHTPHQLQQPPSLQPTPQVPQVQQSQPSQSSEPSQPQQKDPQQPAQQQQPAQQP...	DDB1–CUL4–RBX1	DDB1	Q16531	MSYNYVVTAQKPTAVNGCVTGHFTSAEDLNLLIAKNTRLEIYVVTAEGLRPVKEVGMYGKIAVMELFRPKGESKDLLFILTAKYNACILEYKQSGESIDIITRAHGNVQDRIGRPSETGIIGIIDPECRMIGLRLYDGLFKVIPLDRDNKELKAFNIRLEELHVIDVKFLYGCQAPTICFVYQDPQGRHVKTYEVSLREKEFNKGPWKQENVEAEASMVIAVPEPFGGAIIIGQESITYHNGDKYLAIAPPIIKQSTIVCHNRVDPNGSRYLLGDMEGRLFMLLLEKEEQMDGTVTLKDLRVELLGETSIAECLTYLDNG...	HEK293T cyclin K–eGFP reporter assay	Fluorescent reporter	HEK293T–Cas9	HEK293T	CVCL_0063	null	Homo sapiens	366	nM	5	null	null	null	null	null	null	null	null	null	null	null	null	null	YENZFYNZBFLBNQ-UHFFFAOYSA-N	OPSIN	YENZFYNZBFLBNQ
AUTOTPD-MG-000029	10.1038/s41589-023-01409-z	DS16	(R)-2-((6-(([1,1'-biphenyl]-4-ylmethyl)amino)-9-isopropyl-9H-purin-2-yl)amino)butan-1-ol	null	CC[C@H](CO)Nc1nc(NCc2ccc(-c3ccccc3)cc2)c2ncn(C(C)C)c2n1	BRJSFOFBYVFKCP-OAQYLSRUSA-N	OPSIN	cyclin K	CCNK	O75909	null	MKENKENSSPSVTSANLDHTKPCWYWDKKDLAHTPSQLEGLDPATEARYRREGARFIFDVGTRLGLHYDTLATGIIYFHRFYMFHSFKQFPRYVTGACCLFLAGKVEETPKKCKDIIKTARSLLNDVQFGQFGDDPKEEVMVLERILLQTIKFDLQVEHPYQFLLKYAKQLKGDKNKIQKLVQMAWTFVNDSLCTTLSLQWEPEIIAVAVMYLAGRLCKFEIQEWTSKPMYRRWWEQFVQDVPVDVLEDICHQILDLYSQGKQQMPHHTPHQLQQPPSLQPTPQVPQVQQSQPSQSSEPSQPQQKDPQQPAQQQQPAQQP...	DDB1–CUL4–RBX1	DDB1	Q16531	MSYNYVVTAQKPTAVNGCVTGHFTSAEDLNLLIAKNTRLEIYVVTAEGLRPVKEVGMYGKIAVMELFRPKGESKDLLFILTAKYNACILEYKQSGESIDIITRAHGNVQDRIGRPSETGIIGIIDPECRMIGLRLYDGLFKVIPLDRDNKELKAFNIRLEELHVIDVKFLYGCQAPTICFVYQDPQGRHVKTYEVSLREKEFNKGPWKQENVEAEASMVIAVPEPFGGAIIIGQESITYHNGDKYLAIAPPIIKQSTIVCHNRVDPNGSRYLLGDMEGRLFMLLLEKEEQMDGTVTLKDLRVELLGETSIAECLTYLDNG...	HEK293T cyclin K–eGFP reporter assay	Fluorescent reporter	HEK293T–Cas9	HEK293T	CVCL_0063	null	Homo sapiens	1,029	nM	5	null	null	null	null	null	null	null	null	null	null	null	null	null	BRJSFOFBYVFKCP-OAQYLSRUSA-N	OPSIN	BRJSFOFBYVFKCP
AUTOTPD-MG-000030	10.1038/s41589-023-01409-z	DS72	8-bromo-N-((4,5-difluoro-1H-benzo[d]imidazol-2-yl)methyl)-2-morpholinopyrazolo[1,5-a][1,3,5]triazin-4-amine	null	Fc1ccc2[nH]c(CNc3nc(N4CCOCC4)nc4c(Br)cnn34)nc2c1F	OQEZGFYMQUIYPA-UHFFFAOYSA-N	OPSIN	cyclin K	CCNK	O75909	null	MKENKENSSPSVTSANLDHTKPCWYWDKKDLAHTPSQLEGLDPATEARYRREGARFIFDVGTRLGLHYDTLATGIIYFHRFYMFHSFKQFPRYVTGACCLFLAGKVEETPKKCKDIIKTARSLLNDVQFGQFGDDPKEEVMVLERILLQTIKFDLQVEHPYQFLLKYAKQLKGDKNKIQKLVQMAWTFVNDSLCTTLSLQWEPEIIAVAVMYLAGRLCKFEIQEWTSKPMYRRWWEQFVQDVPVDVLEDICHQILDLYSQGKQQMPHHTPHQLQQPPSLQPTPQVPQVQQSQPSQSSEPSQPQQKDPQQPAQQQQPAQQP...	DDB1–CUL4–RBX1	DDB1	Q16531	MSYNYVVTAQKPTAVNGCVTGHFTSAEDLNLLIAKNTRLEIYVVTAEGLRPVKEVGMYGKIAVMELFRPKGESKDLLFILTAKYNACILEYKQSGESIDIITRAHGNVQDRIGRPSETGIIGIIDPECRMIGLRLYDGLFKVIPLDRDNKELKAFNIRLEELHVIDVKFLYGCQAPTICFVYQDPQGRHVKTYEVSLREKEFNKGPWKQENVEAEASMVIAVPEPFGGAIIIGQESITYHNGDKYLAIAPPIIKQSTIVCHNRVDPNGSRYLLGDMEGRLFMLLLEKEEQMDGTVTLKDLRVELLGETSIAECLTYLDNG...	HEK293T cyclin K–eGFP reporter assay	Fluorescent reporter	HEK293T–Cas9	HEK293T	CVCL_0063	null	Homo sapiens	6	nM	5	null	null	null	null	null	null	null	null	null	null	null	null	null	OQEZGFYMQUIYPA-UHFFFAOYSA-N	OPSIN	OQEZGFYMQUIYPA
AUTOTPD-MG-000031	10.1038/s41589-023-01409-z	DS68	(R)-3-(3-((2-((1-hydroxybutan-2-yl)amino)-9-isopropyl-9H-purin-6-yl)amino)propyl)phenol	null	CC[C@H](CO)Nc1nc(NCCCc2cccc(O)c2)c2ncn(C(C)C)c2n1	WREYDFZOQPABSD-MRXNPFEDSA-N	OPSIN	cyclin K	CCNK	O75909	null	MKENKENSSPSVTSANLDHTKPCWYWDKKDLAHTPSQLEGLDPATEARYRREGARFIFDVGTRLGLHYDTLATGIIYFHRFYMFHSFKQFPRYVTGACCLFLAGKVEETPKKCKDIIKTARSLLNDVQFGQFGDDPKEEVMVLERILLQTIKFDLQVEHPYQFLLKYAKQLKGDKNKIQKLVQMAWTFVNDSLCTTLSLQWEPEIIAVAVMYLAGRLCKFEIQEWTSKPMYRRWWEQFVQDVPVDVLEDICHQILDLYSQGKQQMPHHTPHQLQQPPSLQPTPQVPQVQQSQPSQSSEPSQPQQKDPQQPAQQQQPAQQP...	DDB1–CUL4–RBX1	DDB1	Q16531	MSYNYVVTAQKPTAVNGCVTGHFTSAEDLNLLIAKNTRLEIYVVTAEGLRPVKEVGMYGKIAVMELFRPKGESKDLLFILTAKYNACILEYKQSGESIDIITRAHGNVQDRIGRPSETGIIGIIDPECRMIGLRLYDGLFKVIPLDRDNKELKAFNIRLEELHVIDVKFLYGCQAPTICFVYQDPQGRHVKTYEVSLREKEFNKGPWKQENVEAEASMVIAVPEPFGGAIIIGQESITYHNGDKYLAIAPPIIKQSTIVCHNRVDPNGSRYLLGDMEGRLFMLLLEKEEQMDGTVTLKDLRVELLGETSIAECLTYLDNG...	HEK293T cyclin K–eGFP reporter assay	Fluorescent reporter	HEK293T–Cas9	HEK293T	CVCL_0063	null	Homo sapiens	571	nM	5	null	null	null	null	null	null	null	null	null	null	null	null	null	WREYDFZOQPABSD-MRXNPFEDSA-N	OPSIN	WREYDFZOQPABSD
AUTOTPD-MG-000032	10.1038/s41467-024-50642-0	LL-K12-18	1-(4-(6-(((5,6-dichloro-1H-benzo[d]imidazol-2-yl)methyl)amino)-9-ethyl-9H-purin-2-yl)piperazin-1-yl)-2-(diethylamino)ethan-1-one	null	CCN(CC)CC(=O)N1CCN(c2nc(NCc3nc4cc(Cl)c(Cl)cc4[nH]3)c3ncn(CC)c3n2)CC1	OTSBHVNFWKVPMY-UHFFFAOYSA-N	OPSIN	cyclin K (CCNK)	CCNK	O75909	null	MKENKENSSPSVTSANLDHTKPCWYWDKKDLAHTPSQLEGLDPATEARYRREGARFIFDVGTRLGLHYDTLATGIIYFHRFYMFHSFKQFPRYVTGACCLFLAGKVEETPKKCKDIIKTARSLLNDVQFGQFGDDPKEEVMVLERILLQTIKFDLQVEHPYQFLLKYAKQLKGDKNKIQKLVQMAWTFVNDSLCTTLSLQWEPEIIAVAVMYLAGRLCKFEIQEWTSKPMYRRWWEQFVQDVPVDVLEDICHQILDLYSQGKQQMPHHTPHQLQQPPSLQPTPQVPQVQQSQPSQSSEPSQPQQKDPQQPAQQQQPAQQP...	DDB1 (CRL4-RBX1 E3 ligase)	DDB1	Q16531	MSYNYVVTAQKPTAVNGCVTGHFTSAEDLNLLIAKNTRLEIYVVTAEGLRPVKEVGMYGKIAVMELFRPKGESKDLLFILTAKYNACILEYKQSGESIDIITRAHGNVQDRIGRPSETGIIGIIDPECRMIGLRLYDGLFKVIPLDRDNKELKAFNIRLEELHVIDVKFLYGCQAPTICFVYQDPQGRHVKTYEVSLREKEFNKGPWKQENVEAEASMVIAVPEPFGGAIIIGQESITYHNGDKYLAIAPPIIKQSTIVCHNRVDPNGSRYLLGDMEGRLFMLLLEKEEQMDGTVTLKDLRVELLGETSIAECLTYLDNG...	western blot	Western blot	MDA-MB-231	MDA-MB-231	CVCL_0062	null	Homo sapiens	0.38	nM	null	null	null	null	null	null	null	null	null	null	null	null	null	null	OTSBHVNFWKVPMY-UHFFFAOYSA-N	OPSIN	OTSBHVNFWKVPMY
AUTOTPD-MG-000033	10.1038/s41589-024-01668-4	MMH2	tert-butyl (S)-2-(2,3,9-trimethyl-4-(4-(vinylsulfonamido)phenyl)-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)acetate	null	C=CS(=O)(=O)Nc1ccc(C2=N[C@@H](CC(=O)OC(C)(C)C)c3nnc(C)n3-c3sc(C)c(C)c32)cc1	FZRRESXAODIMQN-IBGZPJMESA-N	OPSIN	BRD4	BRD4	O60885	null	MSAESGPGTRLRNLPVMGDGLETSQMSTTQAQAQPQPANAASTNPPPPETSNPNKPKRQTNQLQYLLRVVLKTLWKHQFAWPFQQPVDAVKLNLPDYYKIIKTPMDMGTIKKRLENNYYWNAQECIQDFNTMFTNCYIYNKPGDDIVLMAEALEKLFLQKINELPTEETEIMIVQAKGRGRGRKETGTAKPGVSTVPNTTQASTPPQTQTPQPNPPPVQATPHPFPAVTPDLIVQTPVMTVVPPQPLQTPPPVPPQPQPPPAPAPQPVQSHPPIIAATPQPVKTKKGVKRKADTTTPTTIDPIHEPPSLPPEPKTTKLGQ...	DCAF16 (CRL4DCAF16)	DCAF16	Q9NXF7	MGPRNPSPDHLSESESEEEENISYLNESSGEEWDSSEEEDSMVPNLSPLESLAWQVKCLLKYSTTWKPLNPNSWLYHAKLLDPSTPVHILREIGLRLSHCSHCVPKLEPIPEWPPLASCGVPPFQKPLTSPSRLSRDHATLNGALQFATKQLSRTLSRATPIPEYLKQIPNSCVSGCCCGWLTKTVKETTRTEPINTTYSYTDFQKAVNKLLTASL	Flow cytometry reporter assay (BRD4BD2-eGFP) measuring eGFP/mCherry ratio	Flow cytometry	K562	K-562	CVCL_0004	null	Homo sapiens	1	nM	16	~	null	null	95	16	~	null	null	null	null	null	null	null	FZRRESXAODIMQN-IBGZPJMESA-N	OPSIN	FZRRESXAODIMQN
AUTOTPD-MG-000034	10.1038/s41589-024-01668-4	MMH1	tert-butyl (S)-2-(4-(4-acrylamidophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)acetate	null	C=CC(=O)Nc1ccc(C2=N[C@@H](CC(=O)OC(C)(C)C)c3nnc(C)n3-c3sc(C)c(C)c32)cc1	AEEGEVCKDJFBRN-IBGZPJMESA-N	OPSIN	BRD4	BRD4	O60885	null	MSAESGPGTRLRNLPVMGDGLETSQMSTTQAQAQPQPANAASTNPPPPETSNPNKPKRQTNQLQYLLRVVLKTLWKHQFAWPFQQPVDAVKLNLPDYYKIIKTPMDMGTIKKRLENNYYWNAQECIQDFNTMFTNCYIYNKPGDDIVLMAEALEKLFLQKINELPTEETEIMIVQAKGRGRGRKETGTAKPGVSTVPNTTQASTPPQTQTPQPNPPPVQATPHPFPAVTPDLIVQTPVMTVVPPQPLQTPPPVPPQPQPPPAPAPQPVQSHPPIIAATPQPVKTKKGVKRKADTTTPTTIDPIHEPPSLPPEPKTTKLGQ...	DCAF16 (CRL4DCAF16)	DCAF16	Q9NXF7	MGPRNPSPDHLSESESEEEENISYLNESSGEEWDSSEEEDSMVPNLSPLESLAWQVKCLLKYSTTWKPLNPNSWLYHAKLLDPSTPVHILREIGLRLSHCSHCVPKLEPIPEWPPLASCGVPPFQKPLTSPSRLSRDHATLNGALQFATKQLSRTLSRATPIPEYLKQIPNSCVSGCCCGWLTKTVKETTRTEPINTTYSYTDFQKAVNKLLTASL	Flow cytometry reporter assay (BRD4BD2-eGFP) measuring eGFP/mCherry ratio	Flow cytometry	K562	K-562	CVCL_0004	null	Homo sapiens	1	nM	16	~	null	null	95	16	~	null	null	null	null	null	null	null	AEEGEVCKDJFBRN-IBGZPJMESA-N	OPSIN	AEEGEVCKDJFBRN
AUTOTPD-MG-000035	10.1038/s41589-024-01668-4	TMX1	tert-butyl (S,E)-2-(2,3,9-trimethyl-4-(4-(3-oxoprop-1-en-1-yl)phenyl)-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)acetate	null	Cc1sc2c(c1C)C(c1ccc(C=CC=O)cc1)=N[C@@H](CC(=O)OC(C)(C)C)c1nnc(C)n1-2	SJISOGWQGIVAGX-FQEVSTJZSA-N	OPSIN	BRD4	BRD4	O60885	null	MSAESGPGTRLRNLPVMGDGLETSQMSTTQAQAQPQPANAASTNPPPPETSNPNKPKRQTNQLQYLLRVVLKTLWKHQFAWPFQQPVDAVKLNLPDYYKIIKTPMDMGTIKKRLENNYYWNAQECIQDFNTMFTNCYIYNKPGDDIVLMAEALEKLFLQKINELPTEETEIMIVQAKGRGRGRKETGTAKPGVSTVPNTTQASTPPQTQTPQPNPPPVQATPHPFPAVTPDLIVQTPVMTVVPPQPLQTPPPVPPQPQPPPAPAPQPVQSHPPIIAATPQPVKTKKGVKRKADTTTPTTIDPIHEPPSLPPEPKTTKLGQ...	DCAF16 (CRL4DCAF16)	DCAF16	Q9NXF7	MGPRNPSPDHLSESESEEEENISYLNESSGEEWDSSEEEDSMVPNLSPLESLAWQVKCLLKYSTTWKPLNPNSWLYHAKLLDPSTPVHILREIGLRLSHCSHCVPKLEPIPEWPPLASCGVPPFQKPLTSPSRLSRDHATLNGALQFATKQLSRTLSRATPIPEYLKQIPNSCVSGCCCGWLTKTVKETTRTEPINTTYSYTDFQKAVNKLLTASL	Flow cytometry reporter assay (BRD4BD2-eGFP) measuring eGFP/mCherry ratio	Flow cytometry	K562	K-562	CVCL_0004	null	Homo sapiens	null	null	null	null	null	null	80	16	~	null	null	null	null	null	null	null	SJISOGWQGIVAGX-FQEVSTJZSA-N	OPSIN	SJISOGWQGIVAGX
AUTOTPD-MG-000036	10.1038/s41589-023-01409-z	DS08	(R)-2-((9-isopropyl-6-((naphthalen-2-ylmethyl)amino)-9H-purin-2-yl)amino)butan-1-ol	null	CC[C@H](CO)Nc1nc(NCc2ccc3ccccc3c2)c2ncn(C(C)C)c2n1	WKFFSBIHJSFZMR-LJQANCHMSA-N	OPSIN	cyclin K	CCNK	O75909	null	MKENKENSSPSVTSANLDHTKPCWYWDKKDLAHTPSQLEGLDPATEARYRREGARFIFDVGTRLGLHYDTLATGIIYFHRFYMFHSFKQFPRYVTGACCLFLAGKVEETPKKCKDIIKTARSLLNDVQFGQFGDDPKEEVMVLERILLQTIKFDLQVEHPYQFLLKYAKQLKGDKNKIQKLVQMAWTFVNDSLCTTLSLQWEPEIIAVAVMYLAGRLCKFEIQEWTSKPMYRRWWEQFVQDVPVDVLEDICHQILDLYSQGKQQMPHHTPHQLQQPPSLQPTPQVPQVQQSQPSQSSEPSQPQQKDPQQPAQQQQPAQQP...	DDB1–CUL4–RBX1	DDB1	Q16531	MSYNYVVTAQKPTAVNGCVTGHFTSAEDLNLLIAKNTRLEIYVVTAEGLRPVKEVGMYGKIAVMELFRPKGESKDLLFILTAKYNACILEYKQSGESIDIITRAHGNVQDRIGRPSETGIIGIIDPECRMIGLRLYDGLFKVIPLDRDNKELKAFNIRLEELHVIDVKFLYGCQAPTICFVYQDPQGRHVKTYEVSLREKEFNKGPWKQENVEAEASMVIAVPEPFGGAIIIGQESITYHNGDKYLAIAPPIIKQSTIVCHNRVDPNGSRYLLGDMEGRLFMLLLEKEEQMDGTVTLKDLRVELLGETSIAECLTYLDNG...	HEK293T cyclin K–eGFP reporter assay	Fluorescent reporter	HEK293T–Cas9	HEK293T	CVCL_0063	null	Homo sapiens	724	nM	5	null	null	null	null	null	null	null	null	null	null	null	null	null	WKFFSBIHJSFZMR-LJQANCHMSA-N	OPSIN	WKFFSBIHJSFZMR
AUTOTPD-MG-000037	10.1038/s41589-023-01409-z	DS69	(R)-2-((9-isopropyl-6-((3-(6-methylpyridin-2-yl)propyl)amino)-9H-purin-2-yl)amino)butan-1-ol	null	CC[C@H](CO)Nc1nc(NCCCc2cccc(C)n2)c2ncn(C(C)C)c2n1	IYNJPMYEAQNCBL-MRXNPFEDSA-N	OPSIN	cyclin K	CCNK	O75909	null	MKENKENSSPSVTSANLDHTKPCWYWDKKDLAHTPSQLEGLDPATEARYRREGARFIFDVGTRLGLHYDTLATGIIYFHRFYMFHSFKQFPRYVTGACCLFLAGKVEETPKKCKDIIKTARSLLNDVQFGQFGDDPKEEVMVLERILLQTIKFDLQVEHPYQFLLKYAKQLKGDKNKIQKLVQMAWTFVNDSLCTTLSLQWEPEIIAVAVMYLAGRLCKFEIQEWTSKPMYRRWWEQFVQDVPVDVLEDICHQILDLYSQGKQQMPHHTPHQLQQPPSLQPTPQVPQVQQSQPSQSSEPSQPQQKDPQQPAQQQQPAQQP...	DDB1–CUL4–RBX1	DDB1	Q16531	MSYNYVVTAQKPTAVNGCVTGHFTSAEDLNLLIAKNTRLEIYVVTAEGLRPVKEVGMYGKIAVMELFRPKGESKDLLFILTAKYNACILEYKQSGESIDIITRAHGNVQDRIGRPSETGIIGIIDPECRMIGLRLYDGLFKVIPLDRDNKELKAFNIRLEELHVIDVKFLYGCQAPTICFVYQDPQGRHVKTYEVSLREKEFNKGPWKQENVEAEASMVIAVPEPFGGAIIIGQESITYHNGDKYLAIAPPIIKQSTIVCHNRVDPNGSRYLLGDMEGRLFMLLLEKEEQMDGTVTLKDLRVELLGETSIAECLTYLDNG...	HEK293T cyclin K–eGFP reporter assay	Fluorescent reporter	HEK293T–Cas9	HEK293T	CVCL_0063	null	Homo sapiens	217	nM	5	null	null	null	null	null	null	null	null	null	null	null	null	null	IYNJPMYEAQNCBL-MRXNPFEDSA-N	OPSIN	IYNJPMYEAQNCBL
AUTOTPD-MG-000038	10.1038/s41589-024-01668-4	GNE11	tert-butyl (S)-2-(4-(4-(3-aminoprop-1-yn-1-yl)phenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)acetate	null	Cc1sc2c(c1C)C(c1ccc(C#CCN)cc1)=N[C@@H](CC(=O)OC(C)(C)C)c1nnc(C)n1-2	PMSPBUOYDPYDPF-FQEVSTJZSA-N	OPSIN	BRD4	BRD4	O60885	null	MSAESGPGTRLRNLPVMGDGLETSQMSTTQAQAQPQPANAASTNPPPPETSNPNKPKRQTNQLQYLLRVVLKTLWKHQFAWPFQQPVDAVKLNLPDYYKIIKTPMDMGTIKKRLENNYYWNAQECIQDFNTMFTNCYIYNKPGDDIVLMAEALEKLFLQKINELPTEETEIMIVQAKGRGRGRKETGTAKPGVSTVPNTTQASTPPQTQTPQPNPPPVQATPHPFPAVTPDLIVQTPVMTVVPPQPLQTPPPVPPQPQPPPAPAPQPVQSHPPIIAATPQPVKTKKGVKRKADTTTPTTIDPIHEPPSLPPEPKTTKLGQ...	DCAF16 (CRL4DCAF16)	DCAF16	Q9NXF7	MGPRNPSPDHLSESESEEEENISYLNESSGEEWDSSEEEDSMVPNLSPLESLAWQVKCLLKYSTTWKPLNPNSWLYHAKLLDPSTPVHILREIGLRLSHCSHCVPKLEPIPEWPPLASCGVPPFQKPLTSPSRLSRDHATLNGALQFATKQLSRTLSRATPIPEYLKQIPNSCVSGCCCGWLTKTVKETTRTEPINTTYSYTDFQKAVNKLLTASL	Flow cytometry reporter assay (BRD4BD2-eGFP) measuring eGFP/mCherry ratio	Flow cytometry	K562	K-562	CVCL_0004	null	Homo sapiens	null	null	null	null	null	null	50	16	~	null	null	null	null	null	null	null	PMSPBUOYDPYDPF-FQEVSTJZSA-N	OPSIN	PMSPBUOYDPYDPF
AUTOTPD-MG-000039	10.1038/s41589-023-01409-z	WX4	(R)-2-((6-(((4-(1,3-dioxolan-2-yl)-[2,2'-bipyridin]-5-yl)methyl)amino)-9-isopropyl-9H-purin-2 yl)amino)butan-1-ol	null	CC[C@H](CO)Nc1nc(NCc2cnc(-c3ccccn3)cc2C2OCCO2)c2ncn(C(C)C)c2n1	JTQIVHHWKGMCSQ-GOSISDBHSA-N	OPSIN	cyclin K	CCNK	O75909	null	MKENKENSSPSVTSANLDHTKPCWYWDKKDLAHTPSQLEGLDPATEARYRREGARFIFDVGTRLGLHYDTLATGIIYFHRFYMFHSFKQFPRYVTGACCLFLAGKVEETPKKCKDIIKTARSLLNDVQFGQFGDDPKEEVMVLERILLQTIKFDLQVEHPYQFLLKYAKQLKGDKNKIQKLVQMAWTFVNDSLCTTLSLQWEPEIIAVAVMYLAGRLCKFEIQEWTSKPMYRRWWEQFVQDVPVDVLEDICHQILDLYSQGKQQMPHHTPHQLQQPPSLQPTPQVPQVQQSQPSQSSEPSQPQQKDPQQPAQQQQPAQQP...	DDB1–CUL4–RBX1	DDB1	Q16531	MSYNYVVTAQKPTAVNGCVTGHFTSAEDLNLLIAKNTRLEIYVVTAEGLRPVKEVGMYGKIAVMELFRPKGESKDLLFILTAKYNACILEYKQSGESIDIITRAHGNVQDRIGRPSETGIIGIIDPECRMIGLRLYDGLFKVIPLDRDNKELKAFNIRLEELHVIDVKFLYGCQAPTICFVYQDPQGRHVKTYEVSLREKEFNKGPWKQENVEAEASMVIAVPEPFGGAIIIGQESITYHNGDKYLAIAPPIIKQSTIVCHNRVDPNGSRYLLGDMEGRLFMLLLEKEEQMDGTVTLKDLRVELLGETSIAECLTYLDNG...	HEK293T cyclin K–eGFP reporter assay	Fluorescent reporter	HEK293T–Cas9	HEK293T	CVCL_0063	null	Homo sapiens	365	nM	5	null	null	null	null	null	null	null	null	null	null	null	null	null	JTQIVHHWKGMCSQ-GOSISDBHSA-N	OPSIN	JTQIVHHWKGMCSQ
AUTOTPD-MG-000040	10.1038/s41589-023-01409-z	WX3	(R)-6'-(((2-((1-hydroxybutan-2-yl)amino)-9-isopropyl-9H-purin-6-yl)amino)methyl)-[2,3' bipyridin]-2'(1'H)-one	null	CC[C@H](CO)Nc1nc(NCc2ccc(-c3ccccn3)c(=O)[nH]2)c2ncn(C(C)C)c2n1	ZZMGLCCXIBNSGN-OAHLLOKOSA-N	OPSIN	cyclin K	CCNK	O75909	null	MKENKENSSPSVTSANLDHTKPCWYWDKKDLAHTPSQLEGLDPATEARYRREGARFIFDVGTRLGLHYDTLATGIIYFHRFYMFHSFKQFPRYVTGACCLFLAGKVEETPKKCKDIIKTARSLLNDVQFGQFGDDPKEEVMVLERILLQTIKFDLQVEHPYQFLLKYAKQLKGDKNKIQKLVQMAWTFVNDSLCTTLSLQWEPEIIAVAVMYLAGRLCKFEIQEWTSKPMYRRWWEQFVQDVPVDVLEDICHQILDLYSQGKQQMPHHTPHQLQQPPSLQPTPQVPQVQQSQPSQSSEPSQPQQKDPQQPAQQQQPAQQP...	DDB1–CUL4–RBX1	DDB1	Q16531	MSYNYVVTAQKPTAVNGCVTGHFTSAEDLNLLIAKNTRLEIYVVTAEGLRPVKEVGMYGKIAVMELFRPKGESKDLLFILTAKYNACILEYKQSGESIDIITRAHGNVQDRIGRPSETGIIGIIDPECRMIGLRLYDGLFKVIPLDRDNKELKAFNIRLEELHVIDVKFLYGCQAPTICFVYQDPQGRHVKTYEVSLREKEFNKGPWKQENVEAEASMVIAVPEPFGGAIIIGQESITYHNGDKYLAIAPPIIKQSTIVCHNRVDPNGSRYLLGDMEGRLFMLLLEKEEQMDGTVTLKDLRVELLGETSIAECLTYLDNG...	HEK293T cyclin K–eGFP reporter assay	Fluorescent reporter	HEK293T–Cas9	HEK293T	CVCL_0063	null	Homo sapiens	23	nM	5	null	null	null	null	null	null	null	null	null	null	null	null	null	ZZMGLCCXIBNSGN-OAHLLOKOSA-N	OPSIN	ZZMGLCCXIBNSGN
AUTOTPD-MG-000041	10.1038/s41589-023-01409-z	DS74	N-((5,6-dichloro-1H-benzo[d]imidazol-2-yl)methyl)-8-(1-methyl-1H-pyrazol-4-yl)-2 morpholinopyrazolo[1,5-a][1,3,5]triazin-4-amine	null	Cn1cc(-c2cnn3c(NCc4nc5cc(Cl)c(Cl)cc5[nH]4)nc(N4CCOCC4)nc23)cn1	RSUMIRUUOWUKDK-UHFFFAOYSA-N	OPSIN	cyclin K	CCNK	O75909	null	MKENKENSSPSVTSANLDHTKPCWYWDKKDLAHTPSQLEGLDPATEARYRREGARFIFDVGTRLGLHYDTLATGIIYFHRFYMFHSFKQFPRYVTGACCLFLAGKVEETPKKCKDIIKTARSLLNDVQFGQFGDDPKEEVMVLERILLQTIKFDLQVEHPYQFLLKYAKQLKGDKNKIQKLVQMAWTFVNDSLCTTLSLQWEPEIIAVAVMYLAGRLCKFEIQEWTSKPMYRRWWEQFVQDVPVDVLEDICHQILDLYSQGKQQMPHHTPHQLQQPPSLQPTPQVPQVQQSQPSQSSEPSQPQQKDPQQPAQQQQPAQQP...	DDB1–CUL4–RBX1	DDB1	Q16531	MSYNYVVTAQKPTAVNGCVTGHFTSAEDLNLLIAKNTRLEIYVVTAEGLRPVKEVGMYGKIAVMELFRPKGESKDLLFILTAKYNACILEYKQSGESIDIITRAHGNVQDRIGRPSETGIIGIIDPECRMIGLRLYDGLFKVIPLDRDNKELKAFNIRLEELHVIDVKFLYGCQAPTICFVYQDPQGRHVKTYEVSLREKEFNKGPWKQENVEAEASMVIAVPEPFGGAIIIGQESITYHNGDKYLAIAPPIIKQSTIVCHNRVDPNGSRYLLGDMEGRLFMLLLEKEEQMDGTVTLKDLRVELLGETSIAECLTYLDNG...	HEK293T cyclin K–eGFP reporter assay	Fluorescent reporter	HEK293T–Cas9	HEK293T	CVCL_0063	null	Homo sapiens	51	nM	5	null	null	null	null	null	null	null	null	null	null	null	null	null	RSUMIRUUOWUKDK-UHFFFAOYSA-N	OPSIN	RSUMIRUUOWUKDK
AUTOTPD-MG-000042	10.1038/s41589-023-01409-z	DS73	8-bromo-N-((5,6-dimethyl-1H-benzo[d]imidazol-2-yl)methyl)-2-(4-methylpiperazin-1 yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine	null	Cc1cc2nc(CNc3nc(N4CCN(C)CC4)nc4c(Br)cnn34)[nH]c2cc1C	PGDRKKXMPSPTSV-UHFFFAOYSA-N	OPSIN	cyclin K	CCNK	O75909	null	MKENKENSSPSVTSANLDHTKPCWYWDKKDLAHTPSQLEGLDPATEARYRREGARFIFDVGTRLGLHYDTLATGIIYFHRFYMFHSFKQFPRYVTGACCLFLAGKVEETPKKCKDIIKTARSLLNDVQFGQFGDDPKEEVMVLERILLQTIKFDLQVEHPYQFLLKYAKQLKGDKNKIQKLVQMAWTFVNDSLCTTLSLQWEPEIIAVAVMYLAGRLCKFEIQEWTSKPMYRRWWEQFVQDVPVDVLEDICHQILDLYSQGKQQMPHHTPHQLQQPPSLQPTPQVPQVQQSQPSQSSEPSQPQQKDPQQPAQQQQPAQQP...	DDB1–CUL4–RBX1	DDB1	Q16531	MSYNYVVTAQKPTAVNGCVTGHFTSAEDLNLLIAKNTRLEIYVVTAEGLRPVKEVGMYGKIAVMELFRPKGESKDLLFILTAKYNACILEYKQSGESIDIITRAHGNVQDRIGRPSETGIIGIIDPECRMIGLRLYDGLFKVIPLDRDNKELKAFNIRLEELHVIDVKFLYGCQAPTICFVYQDPQGRHVKTYEVSLREKEFNKGPWKQENVEAEASMVIAVPEPFGGAIIIGQESITYHNGDKYLAIAPPIIKQSTIVCHNRVDPNGSRYLLGDMEGRLFMLLLEKEEQMDGTVTLKDLRVELLGETSIAECLTYLDNG...	HEK293T cyclin K–eGFP reporter assay	Fluorescent reporter	HEK293T–Cas9	HEK293T	CVCL_0063	null	Homo sapiens	1	nM	5	null	null	null	null	null	null	null	null	null	null	null	null	null	PGDRKKXMPSPTSV-UHFFFAOYSA-N	OPSIN	PGDRKKXMPSPTSV
AUTOTPD-MG-000043	10.1021/acs.jmedchem.9b02076	27b	5-((5-chloro-2-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl)amino)-3-(3-hydroxy-3-methylbutyl)-1-methyl-1,3-dihydro-2H-benzo[d]imidazol-2-one	null	Cn1c(=O)n(CCC(C)(C)O)c2cc(Nc3nc(N4CCC(F)(F)CC4)ncc3Cl)ccc21	WBWCRVDICXCMSW-UHFFFAOYSA-N	OPSIN	BCL6	BCL6	P41182	null	MASPADSCIQFTRHASDVLLNLNRLRSRDILTDVVIVVSREQFRAHKTVLMACSGLFYSIFTDQLKCNLSVINLDPEINPEGFCILLDFMYTSRLNLREGNIMAVMATAMYLQMEHVVDTCRKFIKASEAEMVSAIKPPREEFLNSRMLMPQDIMAYRGREVVENNLPLRSAPGCESRAFAPSLYSGLSTPPASYSMYSHLPVSSLLFSDEEFRDVRMPVANPFPKERALPCDSARPVPGEYSRPTLEVSPNVCHSNIYSPKETIPEEARSDMHYSVAEGLKPAAPSARNAPYFPCDKASKEEERPSSEDEIALHFEPPN...	null	null	null	null	MSD assay	MSD	OCI-Ly1	OCI-Ly1	CVCL_1879	null	Homo sapiens	null	null	null	null	null	null	85	null	>	null	null	null	null	null	null	null	WBWCRVDICXCMSW-UHFFFAOYSA-N	OPSIN	WBWCRVDICXCMSW
AUTOTPD-MG-000044	10.1021/acs.jmedchem.9b02076	27b	5-((5-chloro-2-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl)amino)-3-(3-hydroxy-3-methylbutyl)-1-methyl-1,3-dihydro-2H-benzo[d]imidazol-2-one	null	Cn1c(=O)n(CCC(C)(C)O)c2cc(Nc3nc(N4CCC(F)(F)CC4)ncc3Cl)ccc21	WBWCRVDICXCMSW-UHFFFAOYSA-N	OPSIN	BCL6	BCL6	P41182	null	MASPADSCIQFTRHASDVLLNLNRLRSRDILTDVVIVVSREQFRAHKTVLMACSGLFYSIFTDQLKCNLSVINLDPEINPEGFCILLDFMYTSRLNLREGNIMAVMATAMYLQMEHVVDTCRKFIKASEAEMVSAIKPPREEFLNSRMLMPQDIMAYRGREVVENNLPLRSAPGCESRAFAPSLYSGLSTPPASYSMYSHLPVSSLLFSDEEFRDVRMPVANPFPKERALPCDSARPVPGEYSRPTLEVSPNVCHSNIYSPKETIPEEARSDMHYSVAEGLKPAAPSARNAPYFPCDKASKEEERPSSEDEIALHFEPPN...	null	null	null	null	MSD assay	MSD	Karpas 422	Karpas-422	CVCL_1325	null	Homo sapiens	null	null	null	null	null	null	85	null	>	null	null	null	null	null	null	null	WBWCRVDICXCMSW-UHFFFAOYSA-N	OPSIN	WBWCRVDICXCMSW
AUTOTPD-MG-000045	10.1021/acs.jmedchem.9b02076	27e	5-((5-chloro-2-(4,4-difluoro-3-(hydroxymethyl)piperidin-1-yl)pyrimidin-4-yl)amino)-3-(3-hydroxy-3-methylbutyl)-1-methyl-1,3-dihydro-2H-benzo[d]imidazol-2-one	null	Cn1c(=O)n(CCC(C)(C)O)c2cc(Nc3nc(N4CCC(F)(F)C(CO)C4)ncc3Cl)ccc21	AXXSGZFGJNDDCH-UHFFFAOYSA-N	OPSIN	BCL6	BCL6	P41182	null	MASPADSCIQFTRHASDVLLNLNRLRSRDILTDVVIVVSREQFRAHKTVLMACSGLFYSIFTDQLKCNLSVINLDPEINPEGFCILLDFMYTSRLNLREGNIMAVMATAMYLQMEHVVDTCRKFIKASEAEMVSAIKPPREEFLNSRMLMPQDIMAYRGREVVENNLPLRSAPGCESRAFAPSLYSGLSTPPASYSMYSHLPVSSLLFSDEEFRDVRMPVANPFPKERALPCDSARPVPGEYSRPTLEVSPNVCHSNIYSPKETIPEEARSDMHYSVAEGLKPAAPSARNAPYFPCDKASKEEERPSSEDEIALHFEPPN...	null	null	null	null	MSD assay	MSD	OCI-Ly1	OCI-Ly1	CVCL_1879	null	Homo sapiens	null	null	null	null	null	null	85	null	>	null	null	null	null	null	null	null	AXXSGZFGJNDDCH-UHFFFAOYSA-N	OPSIN	AXXSGZFGJNDDCH
AUTOTPD-MG-000046	10.1021/acs.jmedchem.9b02076	27e	5-((5-chloro-2-(4,4-difluoro-3-(hydroxymethyl)piperidin-1-yl)pyrimidin-4-yl)amino)-3-(3-hydroxy-3-methylbutyl)-1-methyl-1,3-dihydro-2H-benzo[d]imidazol-2-one	null	Cn1c(=O)n(CCC(C)(C)O)c2cc(Nc3nc(N4CCC(F)(F)C(CO)C4)ncc3Cl)ccc21	AXXSGZFGJNDDCH-UHFFFAOYSA-N	OPSIN	BCL6	BCL6	P41182	null	MASPADSCIQFTRHASDVLLNLNRLRSRDILTDVVIVVSREQFRAHKTVLMACSGLFYSIFTDQLKCNLSVINLDPEINPEGFCILLDFMYTSRLNLREGNIMAVMATAMYLQMEHVVDTCRKFIKASEAEMVSAIKPPREEFLNSRMLMPQDIMAYRGREVVENNLPLRSAPGCESRAFAPSLYSGLSTPPASYSMYSHLPVSSLLFSDEEFRDVRMPVANPFPKERALPCDSARPVPGEYSRPTLEVSPNVCHSNIYSPKETIPEEARSDMHYSVAEGLKPAAPSARNAPYFPCDKASKEEERPSSEDEIALHFEPPN...	null	null	null	null	MSD assay	MSD	Karpas 422	Karpas-422	CVCL_1325	null	Homo sapiens	null	null	null	null	null	null	85	null	>	null	null	null	null	null	null	null	AXXSGZFGJNDDCH-UHFFFAOYSA-N	OPSIN	AXXSGZFGJNDDCH
AUTOTPD-MG-000047	10.1021/acs.jmedchem.9b02076	27e	5-((5-chloro-2-(4,4-difluoro-3-(hydroxymethyl)piperidin-1-yl)pyrimidin-4-yl)amino)-3-(3-hydroxy-3-methylbutyl)-1-methyl-1,3-dihydro-2H-benzo[d]imidazol-2-one	null	Cn1c(=O)n(CCC(C)(C)O)c2cc(Nc3nc(N4CCC(F)(F)C(CO)C4)ncc3Cl)ccc21	AXXSGZFGJNDDCH-UHFFFAOYSA-N	OPSIN	BCL6	BCL6	P41182	null	MASPADSCIQFTRHASDVLLNLNRLRSRDILTDVVIVVSREQFRAHKTVLMACSGLFYSIFTDQLKCNLSVINLDPEINPEGFCILLDFMYTSRLNLREGNIMAVMATAMYLQMEHVVDTCRKFIKASEAEMVSAIKPPREEFLNSRMLMPQDIMAYRGREVVENNLPLRSAPGCESRAFAPSLYSGLSTPPASYSMYSHLPVSSLLFSDEEFRDVRMPVANPFPKERALPCDSARPVPGEYSRPTLEVSPNVCHSNIYSPKETIPEEARSDMHYSVAEGLKPAAPSARNAPYFPCDKASKEEERPSSEDEIALHFEPPN...	null	null	null	null	immunofluorescence assay	Fluorescence imaging	SU-DHL-4	SU-DHL-4	CVCL_0539	null	Homo sapiens	null	null	null	null	null	null	85	null	>	null	null	null	null	null	null	null	AXXSGZFGJNDDCH-UHFFFAOYSA-N	OPSIN	AXXSGZFGJNDDCH
AUTOTPD-MG-000048	10.1021/acs.jmedchem.9b02076	27d	5-((5-chloro-2-(3-(hydroxymethyl)piperidin-1-yl)pyrimidin-4-yl)amino)-3-(3-hydroxy-3-methylbutyl)-1-methyl-1,3-dihydro-2H-benzo[d]imidazol-2-one	null	Cn1c(=O)n(CCC(C)(C)O)c2cc(Nc3nc(N4CCCC(CO)C4)ncc3Cl)ccc21	QDLVANQUFIRAGS-UHFFFAOYSA-N	OPSIN	BCL6	BCL6	P41182	null	MASPADSCIQFTRHASDVLLNLNRLRSRDILTDVVIVVSREQFRAHKTVLMACSGLFYSIFTDQLKCNLSVINLDPEINPEGFCILLDFMYTSRLNLREGNIMAVMATAMYLQMEHVVDTCRKFIKASEAEMVSAIKPPREEFLNSRMLMPQDIMAYRGREVVENNLPLRSAPGCESRAFAPSLYSGLSTPPASYSMYSHLPVSSLLFSDEEFRDVRMPVANPFPKERALPCDSARPVPGEYSRPTLEVSPNVCHSNIYSPKETIPEEARSDMHYSVAEGLKPAAPSARNAPYFPCDKASKEEERPSSEDEIALHFEPPN...	null	null	null	null	immunofluorescence assay	Fluorescence imaging	SU-DHL-4	SU-DHL-4	CVCL_0539	null	Homo sapiens	null	null	null	null	null	null	60	null	~	null	null	null	null	null	null	null	QDLVANQUFIRAGS-UHFFFAOYSA-N	OPSIN	QDLVANQUFIRAGS
AUTOTPD-MG-000049	10.1021/acs.jmedchem.9b02076	1	5-((5-chloro-2-((3R,5S)-4,4-difluoro-3,5-dimethylpiperidin-1-yl)pyrimidin-4-yl)amino)-3-(3-hydroxy-3-methylbutyl)-1-methyl-1,3-dihydro-2H-benzo[d]imidazol-2-one	null	C[C@@H]1CN(c2ncc(Cl)c(Nc3ccc4c(c3)n(CCC(C)(C)O)c(=O)n4C)n2)C[C@H](C)C1(F)F	VFNPUAOAEFMXQI-GASCZTMLSA-N	OPSIN	BCL6	BCL6	P41182	null	MASPADSCIQFTRHASDVLLNLNRLRSRDILTDVVIVVSREQFRAHKTVLMACSGLFYSIFTDQLKCNLSVINLDPEINPEGFCILLDFMYTSRLNLREGNIMAVMATAMYLQMEHVVDTCRKFIKASEAEMVSAIKPPREEFLNSRMLMPQDIMAYRGREVVENNLPLRSAPGCESRAFAPSLYSGLSTPPASYSMYSHLPVSSLLFSDEEFRDVRMPVANPFPKERALPCDSARPVPGEYSRPTLEVSPNVCHSNIYSPKETIPEEARSDMHYSVAEGLKPAAPSARNAPYFPCDKASKEEERPSSEDEIALHFEPPN...	null	null	null	null	MSD assay	MSD	Karpas 422	Karpas-422	CVCL_1325	null	Homo sapiens	null	null	null	null	null	null	85	null	>	null	null	null	null	null	null	null	VFNPUAOAEFMXQI-GASCZTMLSA-N	OPSIN	VFNPUAOAEFMXQI
AUTOTPD-MG-000050	10.1021/acs.jmedchem.9b02076	1	5-((5-chloro-2-((3R,5S)-4,4-difluoro-3,5-dimethylpiperidin-1-yl)pyrimidin-4-yl)amino)-3-(3-hydroxy-3-methylbutyl)-1-methyl-1,3-dihydro-2H-benzo[d]imidazol-2-one	null	C[C@@H]1CN(c2ncc(Cl)c(Nc3ccc4c(c3)n(CCC(C)(C)O)c(=O)n4C)n2)C[C@H](C)C1(F)F	VFNPUAOAEFMXQI-GASCZTMLSA-N	OPSIN	BCL6	BCL6	P41182	null	MASPADSCIQFTRHASDVLLNLNRLRSRDILTDVVIVVSREQFRAHKTVLMACSGLFYSIFTDQLKCNLSVINLDPEINPEGFCILLDFMYTSRLNLREGNIMAVMATAMYLQMEHVVDTCRKFIKASEAEMVSAIKPPREEFLNSRMLMPQDIMAYRGREVVENNLPLRSAPGCESRAFAPSLYSGLSTPPASYSMYSHLPVSSLLFSDEEFRDVRMPVANPFPKERALPCDSARPVPGEYSRPTLEVSPNVCHSNIYSPKETIPEEARSDMHYSVAEGLKPAAPSARNAPYFPCDKASKEEERPSSEDEIALHFEPPN...	null	null	null	null	MSD assay	MSD	OCI-Ly1	OCI-Ly1	CVCL_1879	null	Homo sapiens	1.1	nM	null	null	null	null	85	null	>	null	null	null	null	null	null	null	VFNPUAOAEFMXQI-GASCZTMLSA-N	OPSIN	VFNPUAOAEFMXQI
AUTOTPD-MG-000051	10.1021/acs.jmedchem.3c00851	dBET57	2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]acetamide	PUBCHEM	Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCNc1cccc3c1C(=O)N(C1CCC(=O)NC1=O)C3=O)c1nnc(C)n1-2	CZRLOIDJCMKJHE-UXMRNZNESA-N	PAPER	BRD4	BRD4	O60885	null	MSAESGPGTRLRNLPVMGDGLETSQMSTTQAQAQPQPANAASTNPPPPETSNPNKPKRQTNQLQYLLRVVLKTLWKHQFAWPFQQPVDAVKLNLPDYYKIIKTPMDMGTIKKRLENNYYWNAQECIQDFNTMFTNCYIYNKPGDDIVLMAEALEKLFLQKINELPTEETEIMIVQAKGRGRGRKETGTAKPGVSTVPNTTQASTPPQTQTPQPNPPPVQATPHPFPAVTPDLIVQTPVMTVVPPQPLQTPPPVPPQPQPPPAPAPQPVQSHPPIIAATPQPVKTKKGVKRKADTTTPTTIDPIHEPPSLPPEPKTTKLGQ...	CRBN	CRBN	Q96SW2	MAGEGDQQDAAHNMGNHLPLLPAESEEEDEMEVEDQDSKEAKKPNIINFDTSLPTSHTYLGADMEEFHGRTLHDDDSCQVIPVLPQVMMILIPGQTLPLQLFHPQEVSMVRNLIQKDRTFAVLAYSNVQEREAQFGTTAEIYAYREEQDFGIEIVKVKAIGRQRFKVLELRTQSDGIQQAKVQILPECVLPSTMSAVQLESLNKCQIFPSKPVSREDQCSYKWWQKYQKRKFHCANLTSWPRWLYSLYDAETLMDRIKKQLREWDENLKDDSLPSNPIDFSYRVAACLPIDDVLRIQLLKIGSAIQRLRCELDIMNKCTS...	Western blot densitometry	Western blot	MOLT4	MOLT-4	CVCL_0013	null	Homo sapiens	11	nM	24	null	null	null	null	null	null	null	null	null	null	null	null	null	CZRLOIDJCMKJHE-UXMRNZNESA-N	PUBCHEM	CZRLOIDJCMKJHE
AUTOTPD-MG-000052	10.1021/acs.jmedchem.3c00851	A6	4-[8-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]octanoylamino]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide	PUBCHEM	O=C(CCCCCCNC(=O)c1ccc(NC(=O)CCCCCCCNC(=O)COc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)cc1)NO	FQLCLMHMOFLVSV-UHFFFAOYSA-N	PAPER	HDAC6	HDAC6	Q9UBN7	null	MTSTGQDSTTTRQRRSRQNPQSPPQDSSVTSKRNIKKGAVPRSIPNLAEVKKKGKMKKLGQAMEEDLIVGLQGMDLNLEAEALAGTGLVLDEQLNEFHCLWDDSFPEGPERLHAIKEQLIQEGLLDRCVSFQARFAEKEELMLVHSLEYIDLMETTQYMNEGELRVLADTYDSVYLHPNSYSCACLASGSVLRLVDAVLGAEIRNGMAIIRPPGHHAQHSLMDGYCMFNHVAVAARYAQQKHRIRRVLIVDWDVHHGQGTQFTFDQDPSVLYFSIHRYEQGRFWPHLKASNWSTTGFGQGQGYTINVPWNQVGMRDADYI...	CRBN	CRBN	Q96SW2	MAGEGDQQDAAHNMGNHLPLLPAESEEEDEMEVEDQDSKEAKKPNIINFDTSLPTSHTYLGADMEEFHGRTLHDDDSCQVIPVLPQVMMILIPGQTLPLQLFHPQEVSMVRNLIQKDRTFAVLAYSNVQEREAQFGTTAEIYAYREEQDFGIEIVKVKAIGRQRFKVLELRTQSDGIQQAKVQILPECVLPSTMSAVQLESLNKCQIFPSKPVSREDQCSYKWWQKYQKRKFHCANLTSWPRWLYSLYDAETLMDRIKKQLREWDENLKDDSLPSNPIDFSYRVAACLPIDDVLRIQLLKIGSAIQRLRCELDIMNKCTS...	Western blot densitometry	Western blot	MM.1S	MM1.S	CVCL_8792	null	Homo sapiens	6.5	nM	24	null	null	null	null	null	null	null	null	null	null	null	null	null	FQLCLMHMOFLVSV-UHFFFAOYSA-N	PUBCHEM	FQLCLMHMOFLVSV
AUTOTPD-MG-000053	10.1038/s41589-023-01409-z	DS02	(2R)-2-[[6-(5-phenylpentylamino)-9-propan-2-ylpurin-2-yl]amino]butan-1-ol	PUBCHEM	CC[C@H](CO)Nc1nc(NCCCCCc2ccccc2)c2ncn(C(C)C)c2n1	KLBKESYFUKKKSS-LJQANCHMSA-N	PUBCHEM	cyclin K	CCNK	O75909	null	MKENKENSSPSVTSANLDHTKPCWYWDKKDLAHTPSQLEGLDPATEARYRREGARFIFDVGTRLGLHYDTLATGIIYFHRFYMFHSFKQFPRYVTGACCLFLAGKVEETPKKCKDIIKTARSLLNDVQFGQFGDDPKEEVMVLERILLQTIKFDLQVEHPYQFLLKYAKQLKGDKNKIQKLVQMAWTFVNDSLCTTLSLQWEPEIIAVAVMYLAGRLCKFEIQEWTSKPMYRRWWEQFVQDVPVDVLEDICHQILDLYSQGKQQMPHHTPHQLQQPPSLQPTPQVPQVQQSQPSQSSEPSQPQQKDPQQPAQQQQPAQQP...	DDB1–CUL4–RBX1	DDB1	Q16531	MSYNYVVTAQKPTAVNGCVTGHFTSAEDLNLLIAKNTRLEIYVVTAEGLRPVKEVGMYGKIAVMELFRPKGESKDLLFILTAKYNACILEYKQSGESIDIITRAHGNVQDRIGRPSETGIIGIIDPECRMIGLRLYDGLFKVIPLDRDNKELKAFNIRLEELHVIDVKFLYGCQAPTICFVYQDPQGRHVKTYEVSLREKEFNKGPWKQENVEAEASMVIAVPEPFGGAIIIGQESITYHNGDKYLAIAPPIIKQSTIVCHNRVDPNGSRYLLGDMEGRLFMLLLEKEEQMDGTVTLKDLRVELLGETSIAECLTYLDNG...	HEK293T cyclin K–eGFP reporter assay	Fluorescent reporter	HEK293T–Cas9	HEK293T	CVCL_0063	null	Homo sapiens	1,775	nM	5	null	null	null	null	null	null	null	null	null	null	null	null	null	KLBKESYFUKKKSS-LJQANCHMSA-N	PUBCHEM	KLBKESYFUKKKSS
AUTOTPD-MG-000054	10.1038/s41589-023-01409-z	DS66	(2R)-2-[[6-[3-(3,4-dimethylphenyl)propylamino]-9-propan-2-ylpurin-2-yl]amino]butan-1-ol	PUBCHEM	CC[C@H](CO)Nc1nc(NCCCc2ccc(C)c(C)c2)c2ncn(C(C)C)c2n1	CWXUALXYQXQCPS-LJQANCHMSA-N	PUBCHEM	cyclin K	CCNK	O75909	null	MKENKENSSPSVTSANLDHTKPCWYWDKKDLAHTPSQLEGLDPATEARYRREGARFIFDVGTRLGLHYDTLATGIIYFHRFYMFHSFKQFPRYVTGACCLFLAGKVEETPKKCKDIIKTARSLLNDVQFGQFGDDPKEEVMVLERILLQTIKFDLQVEHPYQFLLKYAKQLKGDKNKIQKLVQMAWTFVNDSLCTTLSLQWEPEIIAVAVMYLAGRLCKFEIQEWTSKPMYRRWWEQFVQDVPVDVLEDICHQILDLYSQGKQQMPHHTPHQLQQPPSLQPTPQVPQVQQSQPSQSSEPSQPQQKDPQQPAQQQQPAQQP...	DDB1–CUL4–RBX1	DDB1	Q16531	MSYNYVVTAQKPTAVNGCVTGHFTSAEDLNLLIAKNTRLEIYVVTAEGLRPVKEVGMYGKIAVMELFRPKGESKDLLFILTAKYNACILEYKQSGESIDIITRAHGNVQDRIGRPSETGIIGIIDPECRMIGLRLYDGLFKVIPLDRDNKELKAFNIRLEELHVIDVKFLYGCQAPTICFVYQDPQGRHVKTYEVSLREKEFNKGPWKQENVEAEASMVIAVPEPFGGAIIIGQESITYHNGDKYLAIAPPIIKQSTIVCHNRVDPNGSRYLLGDMEGRLFMLLLEKEEQMDGTVTLKDLRVELLGETSIAECLTYLDNG...	HEK293T cyclin K–eGFP reporter assay	Fluorescent reporter	HEK293T–Cas9	HEK293T	CVCL_0063	null	Homo sapiens	88	nM	5	null	null	null	null	null	null	null	null	null	null	null	null	null	CWXUALXYQXQCPS-LJQANCHMSA-N	PUBCHEM	CWXUALXYQXQCPS
AUTOTPD-MG-000055	10.1101/2024.07.10.602857	iDeg-6	null	null	null	null	null	IDO1	IDO1	P14902	null	MAHAMENSWTISKEYHIDEEVGFALPNPQENLPDFYNDWMFIAKHLPDLIESGQLRERVEKLNMLSIDHLTDHKSQRLARLVLGCITMAYVWGKGHGDVRKVLPRNIAVPYCQLSKKLELPPILVYADCVLANWKKKDPNKPLTYENMDVLFSFRDGDCSKGFFLVSLLVEIAAASAIKVIPTVFKAMQMQERDTLLKALLEIASCLEKALQVFHQIHDHVNPKAFFSVLRIYLSGWKGNPQLSDGLVYEGFWEDPKEFAGGSAGQSSVFQCFDVLLGIQQTAGGGHAAQFLQDMRRYMPPAHRNFLCSLESNPSVREFV...	CRL2KLHDC3	KLHDC3	Q9BQ90	MLRWTVHLEGGPRRVNHAAVAVGHRVYSFGGYCSGEDYETLRQIDVHIFNAVSLRWTKLPPVKSAIRGQAPVVPYMRYGHSTVLIDDTVLLWGGRNDTEGACNVLYAFDVNTHKWFTPRVSGTVPGARDGHSACVLGKIMYIFGGYEQQADCFSNDIHKLDTSTMTWTLICTKGSPARWRDFHSATMLGSHMYVFGGRADRFGPFHSNNEIYCNRIRVFDTRTEAWLDCPPTPVLPEGRRSHSAFGYNGELYIFGGYNARLNRHFHDLWKFNPVSFTWKKIEPKGKGPCPRRRQCCCIVGDKIVLFGGTSPSPEEGLGDE...	immunoblot (western blot) quantification of IDO1 protein levels	Western blot	BxPC3	BxPC-3	CVCL_0186	null	Homo sapiens	6.5	nM	24	null	3.5	9.5	70	24	null	null	null	100	null	null	null	nM	null	null	null
AUTOTPD-MG-000056	10.1038/s41589-023-01409-z	DS47	(2S)-5-(carbamoylamino)-N-[4-(hydroxymethyl)phenyl]-2-[[(2S)-3-methyl-2-[[9-propan-2-yl-6-[(4-pyridin-2-ylphenyl)methylamino]purin-2-yl]amino]butanoyl]amino]pentanamide	PUBCHEM	CC(C)[C@H](Nc1nc(NCc2ccc(-c3ccccn3)cc2)c2ncn(C(C)C)c2n1)C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(CO)cc1	LVVKHGPMCAECNF-CONSDPRKSA-N	PUBCHEM	cyclin K	CCNK	O75909	null	MKENKENSSPSVTSANLDHTKPCWYWDKKDLAHTPSQLEGLDPATEARYRREGARFIFDVGTRLGLHYDTLATGIIYFHRFYMFHSFKQFPRYVTGACCLFLAGKVEETPKKCKDIIKTARSLLNDVQFGQFGDDPKEEVMVLERILLQTIKFDLQVEHPYQFLLKYAKQLKGDKNKIQKLVQMAWTFVNDSLCTTLSLQWEPEIIAVAVMYLAGRLCKFEIQEWTSKPMYRRWWEQFVQDVPVDVLEDICHQILDLYSQGKQQMPHHTPHQLQQPPSLQPTPQVPQVQQSQPSQSSEPSQPQQKDPQQPAQQQQPAQQP...	DDB1–CUL4–RBX1	DDB1	Q16531	MSYNYVVTAQKPTAVNGCVTGHFTSAEDLNLLIAKNTRLEIYVVTAEGLRPVKEVGMYGKIAVMELFRPKGESKDLLFILTAKYNACILEYKQSGESIDIITRAHGNVQDRIGRPSETGIIGIIDPECRMIGLRLYDGLFKVIPLDRDNKELKAFNIRLEELHVIDVKFLYGCQAPTICFVYQDPQGRHVKTYEVSLREKEFNKGPWKQENVEAEASMVIAVPEPFGGAIIIGQESITYHNGDKYLAIAPPIIKQSTIVCHNRVDPNGSRYLLGDMEGRLFMLLLEKEEQMDGTVTLKDLRVELLGETSIAECLTYLDNG...	HEK293T cyclin K–eGFP reporter assay	Fluorescent reporter	HEK293T–Cas9	HEK293T	CVCL_0063	null	Homo sapiens	4,390	nM	5	null	null	null	null	null	null	null	null	null	null	null	null	null	LVVKHGPMCAECNF-CONSDPRKSA-N	PUBCHEM	LVVKHGPMCAECNF
AUTOTPD-MG-000057	10.1038/s41589-023-01409-z	Z10	null	null	null	null	null	cyclin K	CCNK	O75909	null	MKENKENSSPSVTSANLDHTKPCWYWDKKDLAHTPSQLEGLDPATEARYRREGARFIFDVGTRLGLHYDTLATGIIYFHRFYMFHSFKQFPRYVTGACCLFLAGKVEETPKKCKDIIKTARSLLNDVQFGQFGDDPKEEVMVLERILLQTIKFDLQVEHPYQFLLKYAKQLKGDKNKIQKLVQMAWTFVNDSLCTTLSLQWEPEIIAVAVMYLAGRLCKFEIQEWTSKPMYRRWWEQFVQDVPVDVLEDICHQILDLYSQGKQQMPHHTPHQLQQPPSLQPTPQVPQVQQSQPSQSSEPSQPQQKDPQQPAQQQQPAQQP...	DDB1–CUL4–RBX1	DDB1	Q16531	MSYNYVVTAQKPTAVNGCVTGHFTSAEDLNLLIAKNTRLEIYVVTAEGLRPVKEVGMYGKIAVMELFRPKGESKDLLFILTAKYNACILEYKQSGESIDIITRAHGNVQDRIGRPSETGIIGIIDPECRMIGLRLYDGLFKVIPLDRDNKELKAFNIRLEELHVIDVKFLYGCQAPTICFVYQDPQGRHVKTYEVSLREKEFNKGPWKQENVEAEASMVIAVPEPFGGAIIIGQESITYHNGDKYLAIAPPIIKQSTIVCHNRVDPNGSRYLLGDMEGRLFMLLLEKEEQMDGTVTLKDLRVELLGETSIAECLTYLDNG...	HEK293T cyclin K–eGFP reporter assay	Fluorescent reporter	HEK293T–Cas9	HEK293T	CVCL_0063	null	Homo sapiens	219	nM	5	null	null	null	null	null	null	null	null	null	null	null	null	null	null	null	null
AUTOTPD-MG-000058	10.1038/s41589-023-01409-z	DS_CR8	null	null	null	null	null	cyclin K	CCNK	O75909	null	MKENKENSSPSVTSANLDHTKPCWYWDKKDLAHTPSQLEGLDPATEARYRREGARFIFDVGTRLGLHYDTLATGIIYFHRFYMFHSFKQFPRYVTGACCLFLAGKVEETPKKCKDIIKTARSLLNDVQFGQFGDDPKEEVMVLERILLQTIKFDLQVEHPYQFLLKYAKQLKGDKNKIQKLVQMAWTFVNDSLCTTLSLQWEPEIIAVAVMYLAGRLCKFEIQEWTSKPMYRRWWEQFVQDVPVDVLEDICHQILDLYSQGKQQMPHHTPHQLQQPPSLQPTPQVPQVQQSQPSQSSEPSQPQQKDPQQPAQQQQPAQQP...	DDB1–CUL4–RBX1	DDB1	Q16531	MSYNYVVTAQKPTAVNGCVTGHFTSAEDLNLLIAKNTRLEIYVVTAEGLRPVKEVGMYGKIAVMELFRPKGESKDLLFILTAKYNACILEYKQSGESIDIITRAHGNVQDRIGRPSETGIIGIIDPECRMIGLRLYDGLFKVIPLDRDNKELKAFNIRLEELHVIDVKFLYGCQAPTICFVYQDPQGRHVKTYEVSLREKEFNKGPWKQENVEAEASMVIAVPEPFGGAIIIGQESITYHNGDKYLAIAPPIIKQSTIVCHNRVDPNGSRYLLGDMEGRLFMLLLEKEEQMDGTVTLKDLRVELLGETSIAECLTYLDNG...	HEK293T cyclin K–eGFP reporter assay	Fluorescent reporter	HEK293T–Cas9	HEK293T	CVCL_0063	null	Homo sapiens	55	nM	5	null	null	null	null	null	null	null	null	null	null	null	null	null	null	null	null
AUTOTPD-MG-000059	10.1038/s41589-023-01409-z	THAL-SNS032	N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]piperidine-4-carboxamide	PUBCHEM	CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCN(CC(=O)NCCOCCOCCOCCNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)s2)o1	BXDZOYLPNAIDOC-UHFFFAOYSA-N	PUBCHEM	cyclin K	CCNK	O75909	null	MKENKENSSPSVTSANLDHTKPCWYWDKKDLAHTPSQLEGLDPATEARYRREGARFIFDVGTRLGLHYDTLATGIIYFHRFYMFHSFKQFPRYVTGACCLFLAGKVEETPKKCKDIIKTARSLLNDVQFGQFGDDPKEEVMVLERILLQTIKFDLQVEHPYQFLLKYAKQLKGDKNKIQKLVQMAWTFVNDSLCTTLSLQWEPEIIAVAVMYLAGRLCKFEIQEWTSKPMYRRWWEQFVQDVPVDVLEDICHQILDLYSQGKQQMPHHTPHQLQQPPSLQPTPQVPQVQQSQPSQSSEPSQPQQKDPQQPAQQQQPAQQP...	DDB1–CUL4–RBX1	DDB1	Q16531	MSYNYVVTAQKPTAVNGCVTGHFTSAEDLNLLIAKNTRLEIYVVTAEGLRPVKEVGMYGKIAVMELFRPKGESKDLLFILTAKYNACILEYKQSGESIDIITRAHGNVQDRIGRPSETGIIGIIDPECRMIGLRLYDGLFKVIPLDRDNKELKAFNIRLEELHVIDVKFLYGCQAPTICFVYQDPQGRHVKTYEVSLREKEFNKGPWKQENVEAEASMVIAVPEPFGGAIIIGQESITYHNGDKYLAIAPPIIKQSTIVCHNRVDPNGSRYLLGDMEGRLFMLLLEKEEQMDGTVTLKDLRVELLGETSIAECLTYLDNG...	HEK293T cyclin K–eGFP reporter assay	Fluorescent reporter	HEK293T–Cas9	HEK293T	CVCL_0063	null	Homo sapiens	50	nM	5	<	null	null	null	null	null	null	null	null	null	null	null	null	BXDZOYLPNAIDOC-UHFFFAOYSA-N	PUBCHEM	BXDZOYLPNAIDOC
AUTOTPD-MG-000060	10.1038/s41589-023-01409-z	Z12	null	null	null	null	null	cyclin K	CCNK	O75909	null	MKENKENSSPSVTSANLDHTKPCWYWDKKDLAHTPSQLEGLDPATEARYRREGARFIFDVGTRLGLHYDTLATGIIYFHRFYMFHSFKQFPRYVTGACCLFLAGKVEETPKKCKDIIKTARSLLNDVQFGQFGDDPKEEVMVLERILLQTIKFDLQVEHPYQFLLKYAKQLKGDKNKIQKLVQMAWTFVNDSLCTTLSLQWEPEIIAVAVMYLAGRLCKFEIQEWTSKPMYRRWWEQFVQDVPVDVLEDICHQILDLYSQGKQQMPHHTPHQLQQPPSLQPTPQVPQVQQSQPSQSSEPSQPQQKDPQQPAQQQQPAQQP...	DDB1–CUL4–RBX1	DDB1	Q16531	MSYNYVVTAQKPTAVNGCVTGHFTSAEDLNLLIAKNTRLEIYVVTAEGLRPVKEVGMYGKIAVMELFRPKGESKDLLFILTAKYNACILEYKQSGESIDIITRAHGNVQDRIGRPSETGIIGIIDPECRMIGLRLYDGLFKVIPLDRDNKELKAFNIRLEELHVIDVKFLYGCQAPTICFVYQDPQGRHVKTYEVSLREKEFNKGPWKQENVEAEASMVIAVPEPFGGAIIIGQESITYHNGDKYLAIAPPIIKQSTIVCHNRVDPNGSRYLLGDMEGRLFMLLLEKEEQMDGTVTLKDLRVELLGETSIAECLTYLDNG...	HEK293T cyclin K–eGFP reporter assay	Fluorescent reporter	HEK293T–Cas9	HEK293T	CVCL_0063	null	Homo sapiens	3,492	nM	5	null	null	null	null	null	null	null	null	null	null	null	null	null	null	null	null
AUTOTPD-MG-000061	10.1038/s41589-023-01409-z	BSJ-4-116	N-[7-[(3R)-3-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]piperidin-1-yl]heptyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide	PUBCHEM	CC(C)S(=O)(=O)c1ccccc1Nc1nc(N[C@@H]2CCCN(CCCCCCCNC(=O)COc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)C2)ncc1Cl	YJOJMGTVKMABKQ-FIQOPJFZSA-N	PUBCHEM	cyclin K	CCNK	O75909	null	MKENKENSSPSVTSANLDHTKPCWYWDKKDLAHTPSQLEGLDPATEARYRREGARFIFDVGTRLGLHYDTLATGIIYFHRFYMFHSFKQFPRYVTGACCLFLAGKVEETPKKCKDIIKTARSLLNDVQFGQFGDDPKEEVMVLERILLQTIKFDLQVEHPYQFLLKYAKQLKGDKNKIQKLVQMAWTFVNDSLCTTLSLQWEPEIIAVAVMYLAGRLCKFEIQEWTSKPMYRRWWEQFVQDVPVDVLEDICHQILDLYSQGKQQMPHHTPHQLQQPPSLQPTPQVPQVQQSQPSQSSEPSQPQQKDPQQPAQQQQPAQQP...	DDB1–CUL4–RBX1	DDB1	Q16531	MSYNYVVTAQKPTAVNGCVTGHFTSAEDLNLLIAKNTRLEIYVVTAEGLRPVKEVGMYGKIAVMELFRPKGESKDLLFILTAKYNACILEYKQSGESIDIITRAHGNVQDRIGRPSETGIIGIIDPECRMIGLRLYDGLFKVIPLDRDNKELKAFNIRLEELHVIDVKFLYGCQAPTICFVYQDPQGRHVKTYEVSLREKEFNKGPWKQENVEAEASMVIAVPEPFGGAIIIGQESITYHNGDKYLAIAPPIIKQSTIVCHNRVDPNGSRYLLGDMEGRLFMLLLEKEEQMDGTVTLKDLRVELLGETSIAECLTYLDNG...	HEK293T cyclin K–eGFP reporter assay	Fluorescent reporter	HEK293T–Cas9	HEK293T	CVCL_0063	null	Homo sapiens	155	nM	5	null	null	null	null	null	null	null	null	null	null	null	null	null	YJOJMGTVKMABKQ-FIQOPJFZSA-N	PUBCHEM	YJOJMGTVKMABKQ
AUTOTPD-MG-000062	10.1038/s41589-023-01409-z	21195	null	null	null	null	null	cyclin K	CCNK	O75909	null	MKENKENSSPSVTSANLDHTKPCWYWDKKDLAHTPSQLEGLDPATEARYRREGARFIFDVGTRLGLHYDTLATGIIYFHRFYMFHSFKQFPRYVTGACCLFLAGKVEETPKKCKDIIKTARSLLNDVQFGQFGDDPKEEVMVLERILLQTIKFDLQVEHPYQFLLKYAKQLKGDKNKIQKLVQMAWTFVNDSLCTTLSLQWEPEIIAVAVMYLAGRLCKFEIQEWTSKPMYRRWWEQFVQDVPVDVLEDICHQILDLYSQGKQQMPHHTPHQLQQPPSLQPTPQVPQVQQSQPSQSSEPSQPQQKDPQQPAQQQQPAQQP...	DDB1–CUL4–RBX1	DDB1	Q16531	MSYNYVVTAQKPTAVNGCVTGHFTSAEDLNLLIAKNTRLEIYVVTAEGLRPVKEVGMYGKIAVMELFRPKGESKDLLFILTAKYNACILEYKQSGESIDIITRAHGNVQDRIGRPSETGIIGIIDPECRMIGLRLYDGLFKVIPLDRDNKELKAFNIRLEELHVIDVKFLYGCQAPTICFVYQDPQGRHVKTYEVSLREKEFNKGPWKQENVEAEASMVIAVPEPFGGAIIIGQESITYHNGDKYLAIAPPIIKQSTIVCHNRVDPNGSRYLLGDMEGRLFMLLLEKEEQMDGTVTLKDLRVELLGETSIAECLTYLDNG...	HEK293T cyclin K–eGFP reporter assay	Fluorescent reporter	HEK293T–Cas9	HEK293T	CVCL_0063	null	Homo sapiens	26	nM	5	null	null	null	null	null	null	null	null	null	null	null	null	null	null	null	null
AUTOTPD-MG-000063	10.1038/s41589-023-01409-z	SR-4835	N-[(5,6-dichloro-1H-benzimidazol-2-yl)methyl]-9-(1-methylpyrazol-4-yl)-2-morpholin-4-ylpurin-6-amine	PUBCHEM	Cn1cc(-n2cnc3c(NCc4nc5cc(Cl)c(Cl)cc5[nH]4)nc(N4CCOCC4)nc32)cn1	FSELUFUYNUNZKD-UHFFFAOYSA-N	PUBCHEM	cyclin K	CCNK	O75909	null	MKENKENSSPSVTSANLDHTKPCWYWDKKDLAHTPSQLEGLDPATEARYRREGARFIFDVGTRLGLHYDTLATGIIYFHRFYMFHSFKQFPRYVTGACCLFLAGKVEETPKKCKDIIKTARSLLNDVQFGQFGDDPKEEVMVLERILLQTIKFDLQVEHPYQFLLKYAKQLKGDKNKIQKLVQMAWTFVNDSLCTTLSLQWEPEIIAVAVMYLAGRLCKFEIQEWTSKPMYRRWWEQFVQDVPVDVLEDICHQILDLYSQGKQQMPHHTPHQLQQPPSLQPTPQVPQVQQSQPSQSSEPSQPQQKDPQQPAQQQQPAQQP...	DDB1–CUL4–RBX1	DDB1	Q16531	MSYNYVVTAQKPTAVNGCVTGHFTSAEDLNLLIAKNTRLEIYVVTAEGLRPVKEVGMYGKIAVMELFRPKGESKDLLFILTAKYNACILEYKQSGESIDIITRAHGNVQDRIGRPSETGIIGIIDPECRMIGLRLYDGLFKVIPLDRDNKELKAFNIRLEELHVIDVKFLYGCQAPTICFVYQDPQGRHVKTYEVSLREKEFNKGPWKQENVEAEASMVIAVPEPFGGAIIIGQESITYHNGDKYLAIAPPIIKQSTIVCHNRVDPNGSRYLLGDMEGRLFMLLLEKEEQMDGTVTLKDLRVELLGETSIAECLTYLDNG...	HEK293T cyclin K–eGFP reporter assay	Fluorescent reporter	HEK293T–Cas9	HEK293T	CVCL_0063	null	Homo sapiens	14	nM	5	null	null	null	null	null	null	null	null	null	null	null	null	null	FSELUFUYNUNZKD-UHFFFAOYSA-N	PUBCHEM	FSELUFUYNUNZKD
AUTOTPD-MG-000064	10.1038/s41589-023-01409-z	919278	null	null	null	null	null	cyclin K	CCNK	O75909	null	MKENKENSSPSVTSANLDHTKPCWYWDKKDLAHTPSQLEGLDPATEARYRREGARFIFDVGTRLGLHYDTLATGIIYFHRFYMFHSFKQFPRYVTGACCLFLAGKVEETPKKCKDIIKTARSLLNDVQFGQFGDDPKEEVMVLERILLQTIKFDLQVEHPYQFLLKYAKQLKGDKNKIQKLVQMAWTFVNDSLCTTLSLQWEPEIIAVAVMYLAGRLCKFEIQEWTSKPMYRRWWEQFVQDVPVDVLEDICHQILDLYSQGKQQMPHHTPHQLQQPPSLQPTPQVPQVQQSQPSQSSEPSQPQQKDPQQPAQQQQPAQQP...	DDB1–CUL4–RBX1	DDB1	Q16531	MSYNYVVTAQKPTAVNGCVTGHFTSAEDLNLLIAKNTRLEIYVVTAEGLRPVKEVGMYGKIAVMELFRPKGESKDLLFILTAKYNACILEYKQSGESIDIITRAHGNVQDRIGRPSETGIIGIIDPECRMIGLRLYDGLFKVIPLDRDNKELKAFNIRLEELHVIDVKFLYGCQAPTICFVYQDPQGRHVKTYEVSLREKEFNKGPWKQENVEAEASMVIAVPEPFGGAIIIGQESITYHNGDKYLAIAPPIIKQSTIVCHNRVDPNGSRYLLGDMEGRLFMLLLEKEEQMDGTVTLKDLRVELLGETSIAECLTYLDNG...	HEK293T cyclin K–eGFP reporter assay	Fluorescent reporter	HEK293T–Cas9	HEK293T	CVCL_0063	null	Homo sapiens	176	nM	5	null	null	null	null	null	null	null	null	null	null	null	null	null	null	null	null
AUTOTPD-MG-000065	10.1038/s41589-023-01409-z	dCeMM2	N-(5-chloro-2-pyridinyl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide	PUBCHEM	O=C(CSc1nnc2c(n1)[nH]c1ccccc12)Nc1ccc(Cl)cn1	VFWVTIHYVUKNGR-UHFFFAOYSA-N	PUBCHEM	cyclin K	CCNK	O75909	null	MKENKENSSPSVTSANLDHTKPCWYWDKKDLAHTPSQLEGLDPATEARYRREGARFIFDVGTRLGLHYDTLATGIIYFHRFYMFHSFKQFPRYVTGACCLFLAGKVEETPKKCKDIIKTARSLLNDVQFGQFGDDPKEEVMVLERILLQTIKFDLQVEHPYQFLLKYAKQLKGDKNKIQKLVQMAWTFVNDSLCTTLSLQWEPEIIAVAVMYLAGRLCKFEIQEWTSKPMYRRWWEQFVQDVPVDVLEDICHQILDLYSQGKQQMPHHTPHQLQQPPSLQPTPQVPQVQQSQPSQSSEPSQPQQKDPQQPAQQQQPAQQP...	DDB1–CUL4–RBX1	DDB1	Q16531	MSYNYVVTAQKPTAVNGCVTGHFTSAEDLNLLIAKNTRLEIYVVTAEGLRPVKEVGMYGKIAVMELFRPKGESKDLLFILTAKYNACILEYKQSGESIDIITRAHGNVQDRIGRPSETGIIGIIDPECRMIGLRLYDGLFKVIPLDRDNKELKAFNIRLEELHVIDVKFLYGCQAPTICFVYQDPQGRHVKTYEVSLREKEFNKGPWKQENVEAEASMVIAVPEPFGGAIIIGQESITYHNGDKYLAIAPPIIKQSTIVCHNRVDPNGSRYLLGDMEGRLFMLLLEKEEQMDGTVTLKDLRVELLGETSIAECLTYLDNG...	HEK293T cyclin K–eGFP reporter assay	Fluorescent reporter	HEK293T–Cas9	HEK293T	CVCL_0063	null	Homo sapiens	633	nM	5	null	null	null	null	null	null	null	null	null	null	null	null	null	VFWVTIHYVUKNGR-UHFFFAOYSA-N	PUBCHEM	VFWVTIHYVUKNGR
AUTOTPD-MG-000066	10.1038/s41589-023-01409-z	dCeMM4	3-(5-methylfuran-2-carbonyl)-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazolidine-4-carboxamide	PUBCHEM	Cc1ccc(C(=O)N2CSCC2C(=O)Nc2ncc(C)s2)o1	BPWZJVKIVHVVHP-UHFFFAOYSA-N	PUBCHEM	cyclin K	CCNK	O75909	null	MKENKENSSPSVTSANLDHTKPCWYWDKKDLAHTPSQLEGLDPATEARYRREGARFIFDVGTRLGLHYDTLATGIIYFHRFYMFHSFKQFPRYVTGACCLFLAGKVEETPKKCKDIIKTARSLLNDVQFGQFGDDPKEEVMVLERILLQTIKFDLQVEHPYQFLLKYAKQLKGDKNKIQKLVQMAWTFVNDSLCTTLSLQWEPEIIAVAVMYLAGRLCKFEIQEWTSKPMYRRWWEQFVQDVPVDVLEDICHQILDLYSQGKQQMPHHTPHQLQQPPSLQPTPQVPQVQQSQPSQSSEPSQPQQKDPQQPAQQQQPAQQP...	DDB1–CUL4–RBX1	DDB1	Q16531	MSYNYVVTAQKPTAVNGCVTGHFTSAEDLNLLIAKNTRLEIYVVTAEGLRPVKEVGMYGKIAVMELFRPKGESKDLLFILTAKYNACILEYKQSGESIDIITRAHGNVQDRIGRPSETGIIGIIDPECRMIGLRLYDGLFKVIPLDRDNKELKAFNIRLEELHVIDVKFLYGCQAPTICFVYQDPQGRHVKTYEVSLREKEFNKGPWKQENVEAEASMVIAVPEPFGGAIIIGQESITYHNGDKYLAIAPPIIKQSTIVCHNRVDPNGSRYLLGDMEGRLFMLLLEKEEQMDGTVTLKDLRVELLGETSIAECLTYLDNG...	HEK293T cyclin K–eGFP reporter assay	Fluorescent reporter	HEK293T–Cas9	HEK293T	CVCL_0063	null	Homo sapiens	1,210	nM	5	null	null	null	null	null	null	null	null	null	null	null	null	null	BPWZJVKIVHVVHP-UHFFFAOYSA-N	PUBCHEM	BPWZJVKIVHVVHP

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AutoTPD+

AutoTPD+ is a living database of PROTAC and molecular glue degradation assays mined from the literature using an agentic LLM workflow.

It contains standardized compound, target, recruiter, assay, cell-line, DC50, and Dmax information. AutoTPD+ combines literature extracted records with PROTAC-DB 3.0 and MolGlueDB and is designed for monthly updates.

7,622 assay records
1,008 source publications
2,408 unique chemical structures
2 modalities: PROTAC and molecular glue

Files

File	Description	Records
`AutoTPDplus-PROTAC.csv`	Living PROTAC dataset	6,766
`AutoTPDplus-MG.csv`	Living molecular glue dataset	856
`AutoTPD-PROTAC.csv`	Frozen PROTAC benchmark	714
`AutoTPD-MG.csv`	Frozen molecular glue benchmark	246

Data format

Each row represents one degradation assay record.

All columns

Column	Description
IDENTIFIERS
`AutoTPD_ID`	Stable row identifier, unchanged across monthly releases
`Record_ID`	Record ID in the source database; empty for LLM-extracted records
`Compound_ID`	Compound ID in the source database; empty for LLM-extracted records
`DOI`	Source publication
COMPOUND
`Compound_Name`	Compound name or label as reported in the paper
`IUPAC_Name`	IUPAC name
`IUPAC_Name_Source`	Where the IUPAC name came from (PAPER, PUBCHEM)
`SMILES`	RDKit canonical SMILES
`SMILES_Source`	Where the SMILES came from (PAPER, PUBCHEM, OPSIN, source database)
`StdInChIKey`	Standard InChIKey computed by RDKit from the standardized canonical SMILES
`Connectivity_Key`	First block of the InChIKey (connectivity only, ignores stereochemistry)
DEGRADATION TARGET
`Degradation_Target`	Target as reported in the paper
`Degradation_Target_Gene`	HGNC gene symbol
`Degradation_Target_Uniprot`	UniProt accession
`Degradation_Target_Uniprot_MutationID`	UniProt variant ID when a specific mutant is targeted
`Degradation_Target_Sequence`	UniProt protein sequence
RECRUITER
`Recruiter`	Recruiter (usually an E3 ligase) as reported
`Recruiter_Gene`	Gene symbol
`Recruiter_Uniprot`	UniProt accession
`Recruiter_Sequence`	UniProt protein sequence
ASSAY CONTEXT
`Assay`	Assay as described in the paper
`Assay_STD`	Standardized assay family
`Cell_Line`	Cell line as reported, or cell-free
`Cell_Line_STD`	Cellosaurus recommended name
`Cell_Line_STD_Accession`	Cellosaurus accession (RRID)
`Cell_Line_Modification`	Engineered construct, e.g. a HiBiT knock-in
`Cell_Line_Species`	Species of the cell line
DC50
`DC50`	Concentration giving 50% degradation
`DC50_units`	Units of DC50
`DC50_h`	Treatment time in hours
`DC50_operator`	Qualifier: `<`, `>`, `~`, `<=`, `>=`
`DC50_range_min`	Range low end, or mean − error
`DC50_range_max`	Range high end, or mean + error
DMAX
`Dmax`	Maximal degradation, in %
`Dmax_h`	Treatment time in hours
`Dmax_operator`	Qualifier: `<`, `>`, `~`, `<=`, `>=`
`Dmax_range_min`	Range low end, or mean − error
`Dmax_range_max`	Range high end, or mean + error
DMAX CONCENTRATION
`Dmax_conc`	Concentration at which Dmax was measured
`Dmax_conc_units`	Units of Dmax_conc
`Dmax_conc_operator`	Qualifier for Dmax_conc
`Dmax_conc_range_min`	Range low end
`Dmax_conc_range_max`	Range high end

Usage

from datasets import load_dataset

protac = load_dataset(
    "ailab-bio/AutoTPDplus",
    "autotpdplus-protac",
    token=True,
)

molecular_glue = load_dataset(
    "ailab-bio/AutoTPDplus",
    "autotpdplus-mg",
    token=True,
)

Citation

@misc{rao2026agenticliteratureextractionaugments,
      title={Agentic Literature Extraction Augments Targeted Protein Degradation Databases}, 
      author={Yaochen Rao and Farzaneh Jalalypour and N. M. Anoop Krishnan and Rocío Mercado},
      year={2026},
      eprint={2605.11221},
      archivePrefix={arXiv},
      primaryClass={q-bio.QM},
      url={https://arxiv.org/abs/2605.11221}, 
}

License

The structured datasets are released under CC BY 4.0. Original publications, PROTAC-DB, MolGlueDB, and other upstream resources remain subject to their respective licenses.

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Paper for ailab-bio/AutoTPDplus

Beyond Manual Curation: Augmenting Targeted Protein Degradation Databases via Agentic Literature Extraction Workflows

Paper • 2605.11221 • Published May 11