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Q13535 | ATR_HUMAN | Serine/threonine-protein kinase ATR (ATR)

3D structures mapped by conservation among orthologs



[ Alpha Fold Model ] (go)


Known binders annotated in ChEMBL

IC50 table Ki table

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL4860979 OBDepict F S N O O CH 3 N H 2 N O N H IC50 = -37500.0 nM 466.54 CN(C1CC1)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc4c(c3)CCNC4=O)c2)c(F)c1 Homo sapiens CHEMBL4804344 cell-based format
CHEMBL4855542 OBDepict NH 2 N S N O NH IC50 = -16100.0 nM 372.45 Nc1ncc(-c2cccc3ncsc23)cc1-c1ccc2c(c1)CCNC2=O Homo sapiens CHEMBL4804344 cell-based format
CHEMBL3355476 OBDepict F N N N H N N N H 3 C H H 3 C O IC50 = 0.1 nM 366.4 C[C@@H]1COCCN1c1nc(-c2c(F)ncc3[nH]ccc23)cc2c1ncn2C Homo sapiens CHEMBL3372398 single protein format
CHEMBL4444602 OBDepict NH 2 N N O N S O O H 3 C H 3 C N H O Ki = 0.14 nM 533.65 CC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3cc(-c4ccc(CNC5CCOCC5)cc4)no3)n2)cc1 Homo sapiens CHEMBL4352750 cell-based format
CHEMBL4650286 OBDepict F N N N H 2 N HN O N N F N O N O Ki <= 0.15 nM 541.56 Nc1nn2cc(F)cnc2c1C(=O)Nc1cncc(F)c1N1CCC(C(=O)N2CCN(C3COC3)CC2)CC1 Homo sapiens CHEMBL4775105 single protein format
CHEMBL3989870 OBDepict CH 3 N H N O N NH 2 N S O O H 3 C H 3 C Ki = 0.165 nM 463.56 CNCc1ccc(-c2cc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc3N)on2)cc1 Homo sapiens CHEMBL4352750 cell-based format
CHEMBL3355474 OBDepict H N N N N N N H H 3 C S CH 3 H O O O CH 3 IC50 = 0.2 nM 440.53 C[C@@H]1COCCN1c1nc(-c2cncc3[nH]ccc23)cc2c1ncn2[C@@H](C)S(C)(=O)=O Homo sapiens CHEMBL3372398 single protein format
CHEMBL4533440 OBDepict CH 3 N H N O N NH 2 N S O O H 3 C H 3 C Ki = 0.21 nM 477.59 CCNCc1ccc(-c2cc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc3N)on2)cc1 Homo sapiens CHEMBL4352750 cell-based format
CHEMBL4443525 OBDepict NH 2 N O N NH 2 N S O O H 3 C H 3 C Ki = 0.27 nM 449.54 CC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3cc(-c4ccc(CN)cc4)no3)n2)cc1 Homo sapiens CHEMBL4352750 cell-based format
CHEMBL3355072 OBDepict H N N N H CH 3 N N S O O CH 3 IC50 = 0.3 nM 407.5 C[C@@H]1Cn2ncc(-c3ccc(S(C)(=O)=O)cc3)c2CN1c1ccnc2[nH]ccc12 Homo sapiens CHEMBL3379628 single protein format
CHEMBL3355475 OBDepict H 3 C N N N N N H H 3 C N O H IC50 = 0.4 nM 348.41 C[C@@H]1COCCN1c1nc(-c2cncc3[nH]ccc23)cc2c1ncn2C Homo sapiens CHEMBL3372398 single protein format
CHEMBL3355074 OBDepict Cl N N N H H CH 3 N N N S O O CH 3 IC50 = 0.4 nM 448.98 C[C@@H]1Cn2ncc(C3CCN(S(C)(=O)=O)CC3)c2CN1c1cc(Cl)nc2[nH]ccc12 Homo sapiens CHEMBL3379628 single protein format
CHEMBL3355480 OBDepict H 3 C N N N N N N H H 3 C N O H IC50 = 0.5 nM 349.4 C[C@@H]1COCCN1c1nc(-c2nncc3[nH]ccc23)cc2c1ncn2C Homo sapiens CHEMBL3372398 single protein format
CHEMBL3355069 OBDepict H N N N N N S N O O H 3 C CH 3 IC50 = 0.5 nM 418.48 CN(C)S(=O)(=O)c1ccc(-c2cnc3ccc(-c4ccnc5[nH]ccc45)nn23)cc1 Homo sapiens CHEMBL3379628 single protein format
CHEMBL3355071 OBDepict H N N N H CH 3 N N S N O O CH 3 H 3 C IC50 = 0.5 nM 436.54 C[C@@H]1Cn2ncc(-c3ccc(S(=O)(=O)N(C)C)cc3)c2CN1c1ccnc2[nH]ccc12 Homo sapiens CHEMBL3379628 single protein format
CHEMBL3642117 OBDepict NH 2 N N O N S O O H 3 C H 3 C H NH O Ki = 0.503 nM 505.6 CC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3cc(-c4ccc([C@@H]5COCCN5)cc4)no3)n2)cc1 Homo sapiens CHEMBL3705235 single protein format
CHEMBL4566104 OBDepict NH 2 N N O N S O O H 3 C H 3 C H 2 N CH 3 H Ki = 0.53 nM 463.56 CC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3cc(-c4ccc([C@@H](C)N)cc4)no3)n2)cc1 Homo sapiens CHEMBL4352750 cell-based format
CHEMBL4448538 OBDepict CH 3 N H Cl N O N NH 2 N S O O H 3 C H 3 C Ki = 0.75 nM 498.01 CNCc1ccc(-c2cc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc3N)on2)c(Cl)c1 Homo sapiens CHEMBL4352750 cell-based format
CHEMBL4288033 OBDepict NH 2 N N N N N S H H 3 C O O H 3 C O IC50 = 1.0 nM 428.52 C[C@@H]1COCCN1c1cc(C2(S(C)(=O)=O)CC2)nc(-n2c(N)nc3ccccc32)n1 Homo sapiens CHEMBL4269677 single protein format
CHEMBL4434665 OBDepict H 2 N N N N S N S O O H 3 C CH 3 Ki = 1.0 nM 437.55 CC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3nnc(-c4ccccc4)s3)n2)cc1 Homo sapiens CHEMBL4352750 cell-based format
CHEMBL3355473 OBDepict H N N N N N H CH 3 S O O O H 3 C IC50 = 1.0 nM 425.51 C[C@@H]1COCCN1c1nc(-c2cccc3[nH]ccc23)cc2c1ncn2CS(C)(=O)=O Homo sapiens CHEMBL3372398 single protein format
CHEMBL3355070 OBDepict H N N N N N S N O O H 3 C CH 3 IC50 = 1.0 nM 422.51 CN(C)S(=O)(=O)c1ccc(-c2cnn3c2CN(c2ccnc4[nH]ccc24)CC3)cc1 Homo sapiens CHEMBL3379628 single protein format
CHEMBL3355073 OBDepict H N N N H CH 3 N N N S O O CH 3 IC50 = 1.0 nM 414.54 C[C@@H]1Cn2ncc(C3CCN(S(C)(=O)=O)CC3)c2CN1c1ccnc2[nH]ccc12 Homo sapiens CHEMBL3379628 single protein format
CHEMBL4467820 OBDepict H 2 N N N N O N S O O H 3 C CH 3 Ki = 1.0 nM 421.48 CC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3nnc(-c4ccccc4)o3)n2)cc1 Homo sapiens CHEMBL4352750 cell-based format
CHEMBL4440048 OBDepict H 2 N N N O N S O O H 3 C CH 3 Ki = 1.0 nM 420.49 CC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3cc(-c4ccccc4)no3)n2)cc1 Homo sapiens CHEMBL4352750 cell-based format
CHEMBL4467848 OBDepict NH 2 N N O N S O O H 3 C H 3 C H 2 N CH 3 H Ki = 1.24 nM 463.56 CC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3cc(-c4ccc([C@H](C)N)cc4)no3)n2)cc1 Homo sapiens CHEMBL4352750 cell-based format
CHEMBL4530813 OBDepict H 2 N N N N O S O O H 3 C CH 3 Ki = 2.0 nM 420.49 CC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3cc(-c4ccccc4)on3)n2)cc1 Homo sapiens CHEMBL4352750 cell-based format
CHEMBL4635442 OBDepict H N N N N N OH CH 3 H H 3 C H 3 C CH 3 H 3 C O IC50 = 2.0 nM 395.51 C[C@@H]1COCCN1c1cc(C(C)(O)C(C)(C)C)c2ccnc(-c3ccn[nH]3)c2n1 Homo sapiens CHEMBL4612706 cell-based format
CHEMBL3352844 OBDepict H N N N N H CH 3 N N N S O O CH 3 IC50 = 2.0 nM 415.52 C[C@@H]1Cn2ncc(C3CCN(S(C)(=O)=O)CC3)c2CN1c1ccnc2[nH]cnc12 Homo sapiens CHEMBL3379628 single protein format
CHEMBL4286105 OBDepict F N N NH 2 N N N S H H 3 C O O CH 3 O IC50 = 2.0 nM 446.51 C[C@@H]1COCCN1c1cc(C2(S(C)(=O)=O)CC2)nc(-n2c(N)nc3cc(F)ccc32)n1 Homo sapiens CHEMBL4269677 single protein format
CHEMBL4291436 OBDepict H 3 C NH N N N N N S H CH 3 O O CH 3 O IC50 = 2.0 nM 442.55 CNc1nc2ccccc2n1-c1nc(N2CCOC[C@H]2C)cc(C2(S(C)(=O)=O)CC2)n1 Homo sapiens CHEMBL4269677 single protein format
CHEMBL4281240 OBDepict H N N N N N S H H 3 C O O CH 3 O IC50 = 2.0 nM 413.5 C[C@@H]1COCCN1c1cc(C2(S(C)(=O)=O)CC2)nc(-c2cncc3[nH]ccc23)n1 Homo sapiens CHEMBL4269677 single protein format
CHEMBL4541587 OBDepict CH 3 N H Cl N O N NH 2 N S O O H 3 C H 3 C Ki = 2.4 nM 498.01 CNCc1ccc(-c2cc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc3N)on2)cc1Cl Homo sapiens CHEMBL4352750 cell-based format
CHEMBL3648331 OBDepict NH 2 N N N N N S H H 3 C O CH 2 NH 2 O IC50 = 2.578 nM 427.53 C=S(N)(=O)C1(c2cc(N3CCOC[C@H]3C)nc(-n3c(N)nc4ccccc43)n2)CC1 Homo sapiens CHEMBL3705063 single protein format
CHEMBL4291783 OBDepict H 2 N N N N N N S O O CH 3 O IC50 = 3.0 nM 414.49 CS(=O)(=O)C1(c2cc(N3CCOCC3)nc(-n3c(N)nc4ccccc43)n2)CC1 Homo sapiens CHEMBL4269677 single protein format
CHEMBL3956836 OBDepict H N N N N N S H H 3 C O HN CH 3 O IC50 = 3.747 nM 412.52 C[C@H]1COCCN1c1cc(C2([S@@](C)(=N)=O)CC2)nc(-c2ccnc3[nH]ccc23)n1 Homo sapiens CHEMBL3705064 single protein format
CHEMBL4558884 OBDepict H 2 N N N N O S O O H 3 C CH 3 Ki = 4.0 nM 420.49 CC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3ncc(-c4ccccc4)o3)n2)cc1 Homo sapiens CHEMBL4352750 cell-based format
CHEMBL1766793 OBDepict O NH N H 2 N N S O O H 3 C CH 3 Ki = 4.0 nM 396.47 CC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1 Homo sapiens CHEMBL4352750 cell-based format
CHEMBL4445532 OBDepict H 2 N N N N N O S O O H 3 C CH 3 Ki = 5.0 nM 421.48 CC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3noc(-c4ccccc4)n3)n2)cc1 Homo sapiens CHEMBL4352750 cell-based format
CHEMBL4278556 OBDepict H N N N N N S O O CH 3 O IC50 = 5.0 nM 399.48 CS(=O)(=O)C1(c2cc(N3CCOCC3)nc(-c3cncc4[nH]ccc34)n2)CC1 Homo sapiens CHEMBL4269677 single protein format
CHEMBL3355472 OBDepict H N N N N N S O O O CH 3 IC50 = 5.0 nM 411.49 CS(=O)(=O)Cn1cnc2c(N3CCOCC3)nc(-c3cccc4[nH]ccc34)cc21 Homo sapiens CHEMBL3372398 single protein format
CHEMBL4638048 OBDepict H N N N N N N H CH 3 O N S O O CH 3 IC50 = 5.0 nM 457.56 C[C@@H]1COCCN1c1cc(N2CCN(S(C)(=O)=O)CC2)c2ccnc(-c3ccn[nH]3)c2n1 Homo sapiens CHEMBL4612706 cell-based format
CHEMBL4286472 OBDepict H N N N N N S H H 3 C O O CH 3 O IC50 = 5.0 nM 413.5 C[C@@H]1COCCN1c1cc(C2(S(C)(=O)=O)CC2)nc(-c2ccnc3[nH]ccc23)n1 Homo sapiens CHEMBL4269677 single protein format
CHEMBL3648329 OBDepict H 3 C NH N N N N N S H CH 3 O HN CH 3 O IC50 = 5.607 nM 441.56 CNc1nc2ccccc2n1-c1nc(N2CCOC[C@H]2C)cc(C2([S@](C)(=N)=O)CC2)n1 Homo sapiens CHEMBL3705064 single protein format
CHEMBL3695214 OBDepict H 2 N N N N N N S O O H 3 C CH 3 Ki = 6.0 nM 420.5 CC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3cn(-c4ccccc4)nn3)n2)cc1 Homo sapiens CHEMBL3705648 single protein format
CHEMBL1766797 OBDepict CH 3 N H 3 C S CH 3 O O N N H 2 N NH O Ki = 6.0 nM 439.54 CC(CN(C)C)S(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1 Homo sapiens CHEMBL1767695 single protein format
CHEMBL1766796 OBDepict O NH N H 2 N N S O O CH 3 CH 3 H 3 C IC50 = 6.0 nM 410.5 CC(C)(C)S(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1 Homo sapiens CHEMBL1767585 single protein format
CHEMBL3355478 OBDepict NH 2 N N N N N N H CH 3 S O O O CH 3 IC50 = 6.0 nM 403.47 C[C@@H]1COCCN1c1nc(-c2cnc(N)nc2)cc2c1ncn2CS(C)(=O)=O Homo sapiens CHEMBL3372398 single protein format
CHEMBL4647810 OBDepict CH 3 N N N N N H CH 3 N O H N IC50 = 7.0 nM 375.44 C[C@@H]1COCCN1c1cc(-c2ccnn2C)c2ccnc(-c3ccn[nH]3)c2n1 Homo sapiens CHEMBL4612706 cell-based format
CHEMBL1766798 OBDepict OH S CH 3 O O N N H 2 N NH O IC50 = 8.0 nM 426.5 CC(CCO)S(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1 Homo sapiens CHEMBL1767585 single protein format
CHEMBL4294006 OBDepict F N N N N H 2 N N S H H 3 C O O H 3 C O IC50 = 8.0 nM 446.51 C[C@@H]1COCCN1c1cc(C2(S(C)(=O)=O)CC2)nc(-n2c(N)nc3ccc(F)cc32)n1 Homo sapiens CHEMBL4269677 single protein format
CHEMBL4642221 OBDepict F N N N N H CH 3 N O H N IC50 = 8.0 nM 390.42 C[C@@H]1COCCN1c1cc(-c2cccnc2F)c2ccnc(-c3ccn[nH]3)c2n1 Homo sapiens CHEMBL4612706 cell-based format
CHEMBL1766793 OBDepict O NH N H 2 N N S O O H 3 C CH 3 IC50 = 8.0 nM 396.47 CC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1 Homo sapiens CHEMBL1767585 single protein format
CHEMBL4632518 OBDepict F N CH 3 N N N H CH 3 N O H N IC50 = 9.0 nM 418.48 C[C@@H]1COCCN1c1cc(N(C)c2ccc(F)cc2)c2ccnc(-c3ccn[nH]3)c2n1 Homo sapiens CHEMBL4612706 cell-based format
CHEMBL4295245 OBDepict H 3 C NH N N N N H N O HO CH 3 CH 3 H H 3 C H O IC50 = 10.0 nM 410.48 CNc1cnc2[nH]ccc2c1-c1nc2c(c(C(C)(C)O)n1)OC[C@@H]1COC[C@@H](C)N21 Homo sapiens CHEMBL4256222 cell-based format
CHEMBL4287971 OBDepict H 3 C N H N N N N N O S CH 3 CH 3 O O CH 3 H H 3 C H O IC50 = 10.0 nM 422.51 CNc1nccn1-c1nc2c(c(C(C)(C)S(C)(=O)=O)n1)OC[C@@H]1COC[C@@H](C)N21 Homo sapiens CHEMBL4256222 cell-based format
CHEMBL4293269 OBDepict H 3 C N H N N N N H N O S CH 3 CH 3 O O CH 3 H H 3 C H O IC50 = 10.0 nM 486.6 CCNc1cnc2[nH]ccc2c1-c1nc2c(c(C(C)(C)S(C)(=O)=O)n1)OC[C@@H]1COC[C@@H](C)N21 Homo sapiens CHEMBL4256222 cell-based format
CHEMBL4284592 OBDepict CH 3 HN N N N N H N O S H 3 C H 3 C O O H 3 C H CH 3 H O IC50 = 10.0 nM 472.57 CNc1cnc2[nH]ccc2c1-c1nc2c(c(C(C)(C)S(C)(=O)=O)n1)OC[C@@H]1COC[C@@H](C)N21 Homo sapiens CHEMBL4256223 cell-based format
CHEMBL4280793 OBDepict F N N NH 2 N N N S H H 3 C O O CH 3 O IC50 = 10.0 nM 446.51 C[C@@H]1COCCN1c1cc(C2(S(C)(=O)=O)CC2)nc(-n2c(N)nc3c(F)cccc32)n1 Homo sapiens CHEMBL4269677 single protein format
CHEMBL4637776 OBDepict CH 3 N S O HN CH 3 N N N H CH 3 N O H N IC50 = 10.0 nM 463.57 Cc1nc(S(C)(=N)=O)ccc1-c1cc(N2CCOC[C@H]2C)nc2c(-c3ccn[nH]3)nccc12 Homo sapiens CHEMBL4612706 cell-based format
CHEMBL4633890 OBDepict H N N N N N N H H 3 C N O IC50 = 10.0 nM 401.47 C[C@@H]1COCCN1c1cc(-c2cnc3n2CCC3)c2ccnc(-c3ccn[nH]3)c2n1 Homo sapiens CHEMBL4612706 cell-based format
CHEMBL4282665 OBDepict H N N N CH 3 N N N O S CH 3 CH 3 O O CH 3 H H 3 C H O IC50 = 10.0 nM 422.51 C[C@@H]1COC[C@H]2COc3c(nc(N(C)c4ccn[nH]4)nc3C(C)(C)S(C)(=O)=O)N21 Homo sapiens CHEMBL4256222 cell-based format
CHEMBL4280068 OBDepict H 3 C N H N N N N N O S CH 3 CH 3 O O CH 3 H H 3 C H O IC50 < 10.0 nM 472.57 CNc1nc2ccccc2n1-c1nc2c(c(C(C)(C)S(C)(=O)=O)n1)OC[C@@H]1COC[C@@H](C)N21 Homo sapiens CHEMBL4256222 cell-based format
CHEMBL1766799 OBDepict O NH N H 2 N N S O O H O IC50 = 10.0 nM 424.48 Nc1ncc(-c2ccc(S(=O)(=O)[C@@H]3CCOC3)cc2)nc1C(=O)Nc1ccccc1 Homo sapiens CHEMBL1767585 single protein format
CHEMBL1766795 OBDepict CH 3 S CH 3 O O N N H 2 N NH O IC50 = 10.0 nM 410.5 CCC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1 Homo sapiens CHEMBL1767585 single protein format
CHEMBL3648341 OBDepict CH 3 N H N N N N F N S H H 3 C O CH 2 NH 2 O IC50 = 10.07 nM 459.55 C=S(N)(=O)C1(c2cc(N3CCOC[C@H]3C)nc(-n3c(NC)nc4cc(F)ccc43)n2)CC1 Homo sapiens CHEMBL3705063 single protein format
CHEMBL4284359 OBDepict _ O + S CH 3 N N N H CH 3 O N N H IC50 = 11.0 nM 397.5 C[C@@H]1COCCN1c1cc(C2([S@+](C)[O-])CC2)nc(-c2ccnc3[nH]ccc23)n1 Homo sapiens CHEMBL4269677 single protein format
CHEMBL1766797 OBDepict CH 3 N H 3 C S CH 3 O O N N H 2 N NH O IC50 = 12.0 nM 439.54 CC(CN(C)C)S(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1 Homo sapiens CHEMBL1767585 single protein format
CHEMBL1766792 OBDepict H 3 C S O O N N H 2 N N H O IC50 = 12.0 nM 382.45 CCS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1 Homo sapiens CHEMBL1767585 single protein format
CHEMBL3648334 OBDepict H 3 C NH N N N N N S CH 3 H 3 C O CH 2 NH 2 H H 3 C O IC50 = 12.79 nM 443.58 C=S(N)(=O)C(C)(C)c1cc(N2CCOC[C@H]2C)nc(-n2c(NC)nc3ccccc32)n1 Homo sapiens CHEMBL3705063 single protein format
CHEMBL3935310 OBDepict H 2 N N N N N N CH 3 O O IC50 = 12.9 nM 376.42 Cn1c(=O)n(C2CCOCC2)c2c3cc(-c4cnc(N)nc4)ccc3ncc21 Homo sapiens CHEMBL3888992 cell-based format
CHEMBL4444602 OBDepict NH 2 N N O N S O O H 3 C H 3 C N H O IC50 = 13.0 nM 533.65 CC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3cc(-c4ccc(CNC5CCOCC5)cc4)no3)n2)cc1 Homo sapiens CHEMBL4352755 cell-based format
CHEMBL3648333 OBDepict H N N N N N S H CH 3 O CH 2 NH 2 O IC50 = 13.76 nM 412.52 C=S(N)(=O)C1(c2cc(N3CCOC[C@H]3C)nc(-c3cncc4[nH]ccc34)n2)CC1 Homo sapiens CHEMBL3705063 single protein format
CHEMBL3334621 OBDepict N CH 3 CH 3 N O O N N IC50 = 14.0 nM 470.53 CC(C)(C#N)c1ccc(N2C(=O)OCc3cnc4ccc(-c5cnc6ccccc6c5)cc4c32)cc1 Homo sapiens CHEMBL3374528 single protein format
CHEMBL4277395 OBDepict H 3 C NH O N N N N N S H CH 3 O O CH 3 O IC50 = 14.0 nM 470.56 CC(=O)Nc1nc2ccccc2n1-c1nc(N2CCOC[C@H]2C)cc(C2(S(C)(=O)=O)CC2)n1 Homo sapiens CHEMBL4269677 single protein format
CHEMBL1766794 OBDepict CH 3 S O O N N H 2 N NH O IC50 = 14.0 nM 396.47 CCCS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1 Homo sapiens CHEMBL1767585 single protein format
CHEMBL4636395 OBDepict H N N N N N H CH 3 O O IC50 = 14.0 nM 379.46 C[C@@H]1COCCN1c1cc(C2CCOCC2)c2ccnc(-c3ccn[nH]3)c2n1 Homo sapiens CHEMBL4612706 cell-based format
CHEMBL4647939 OBDepict H N N N N N S H H 3 C O O CH 3 O IC50 = 15.0 nM 413.5 C[C@@H]1COCCN1c1cc(C2(S(C)(=O)=O)CC2)c2ccnc(-c3ccn[nH]3)c2n1 Homo sapiens CHEMBL4612706 cell-based format
CHEMBL3989870 OBDepict CH 3 N H N O N NH 2 N S O O H 3 C H 3 C IC50 = 15.0 nM 463.56 CNCc1ccc(-c2cc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc3N)on2)cc1 Homo sapiens CHEMBL4190835 assay format
CHEMBL2409217 OBDepict CH 3 N H N O N NH 2 N S O O CH 3 H 3 C Ki = 16.0 nM 465.58 CNCc1ccc(C2=NOC(c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc3N)C2)cc1 Homo sapiens CHEMBL2412508 single protein format
CHEMBL4294647 OBDepict _ O + S CH 3 N N N H CH 3 O N N H IC50 = 16.0 nM 397.5 C[C@@H]1COCCN1c1cc(C2([S@@+](C)[O-])CC2)nc(-c2ccnc3[nH]ccc23)n1 Homo sapiens CHEMBL4269677 single protein format
CHEMBL3648340 OBDepict H 3 C NH N N N N F N S CH 3 H 3 C O CH 2 NH 2 H H 3 C O IC50 = 16.18 nM 461.57 C=S(N)(=O)C(C)(C)c1cc(N2CCOC[C@H]2C)nc(-n2c(NC)nc3cc(F)ccc32)n1 Homo sapiens CHEMBL3705063 single protein format
CHEMBL4284450 OBDepict Cl N N NH 2 N N N S H H 3 C O O CH 3 O IC50 = 17.0 nM 462.96 C[C@@H]1COCCN1c1cc(C2(S(C)(=O)=O)CC2)nc(-n2c(N)nc3c(Cl)cccc32)n1 Homo sapiens CHEMBL4269677 single protein format
CHEMBL4287961 OBDepict H N N N S O O CH 3 O IC50 = 18.0 nM 395.48 CS(=O)(=O)C1(c2cc(C3=CCOCC3)nc(-c3cccc4[nH]ccc34)n2)CC1 Homo sapiens CHEMBL4269677 single protein format
CHEMBL4473876 OBDepict H 2 N N N O N S O O H 3 C CH 3 Ki = 21.0 nM 420.49 CC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3cnc(-c4ccccc4)o3)n2)cc1 Homo sapiens CHEMBL4352750 cell-based format
CHEMBL4287852 OBDepict Cl N N NH 2 N N N S H H 3 C O O CH 3 O IC50 = 21.0 nM 462.96 C[C@@H]1COCCN1c1cc(C2(S(C)(=O)=O)CC2)nc(-n2c(N)nc3cc(Cl)ccc32)n1 Homo sapiens CHEMBL4269677 single protein format
CHEMBL1766803 OBDepict H 2 N N N N S S O O CH 3 IC50 = 22.0 nM 382.47 CS(=O)(=O)c1ccc(-c2cnc(N)c(-c3nc4ccccc4s3)n2)cc1 Homo sapiens CHEMBL1767585 single protein format
CHEMBL4635106 OBDepict H N N N N N H H 3 C O N IC50 = 22.0 nM 396.45 C[C@@H]1COCCN1c1cc(C#Cc2cccnc2)c2ccnc(-c3ccn[nH]3)c2n1 Homo sapiens CHEMBL4612706 cell-based format
CHEMBL4639847 OBDepict CH 3 S N O CH 3 N N N H CH 3 N O H N IC50 = 22.0 nM 414.54 CCS(=O)(CC)=Nc1cc(N2CCOC[C@H]2C)nc2c(-c3ccn[nH]3)nccc12 Homo sapiens CHEMBL4612706 cell-based format
CHEMBL4281973 OBDepict H 3 C NH N N N N N S H CH 3 O HN CH 3 O IC50 = 23.0 nM 441.56 CNc1nc2ccccc2n1-c1nc(N2CCOC[C@H]2C)cc(C2([S@@](C)(=N)=O)CC2)n1 Homo sapiens CHEMBL4269678 cell-based format
CHEMBL1766804 OBDepict H 2 N N N N H S O O CH 3 IC50 = 23.0 nM 364.43 CS(=O)(=O)c1ccc(-c2cnc(N)c(-c3cc4ccccc4[nH]3)n2)cc1 Homo sapiens CHEMBL1767585 single protein format
CHEMBL1766765 OBDepict N N N NH 2 HN O IC50 = 24.0 nM 315.34 N#Cc1ccccc1-c1cnc(N)c(C(=O)Nc2ccccc2)n1 Homo sapiens CHEMBL1767585 single protein format
CHEMBL4649777 OBDepict H N N N N N N H CH 3 CH 3 N O IC50 = 25.0 nM 375.44 Cc1nccn1-c1cc(N2CCOC[C@H]2C)nc2c(-c3ccn[nH]3)nccc12 Homo sapiens CHEMBL4612706 cell-based format
CHEMBL4593939 OBDepict H 2 N N N O N N S O O H 3 C CH 3 Ki = 26.0 nM 421.48 CC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3nc(-c4ccccc4)no3)n2)cc1 Homo sapiens CHEMBL4352750 cell-based format
CHEMBL1766789 OBDepict O N H N NH 2 N N O IC50 = 26.0 nM 401.47 Nc1ncc(-c2ccc(C(=O)N3CCCCC3)cc2)nc1C(=O)Nc1ccccc1 Homo sapiens CHEMBL1767585 single protein format
CHEMBL3355068 OBDepict CH 3 O O CH 3 N N N O H 2 N IC50 = 26.0 nM 374.4 COc1ccc(-c2ccc3ncc(-c4ccc(C(N)=O)cc4)n3n2)cc1OC Homo sapiens CHEMBL3379628 single protein format
CHEMBL1766779 OBDepict O NH N H 2 N N S O O CH 3 IC50 = 26.0 nM 368.42 CS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1 Homo sapiens CHEMBL1767585 single protein format
CHEMBL3352848 OBDepict H N N N N N O IC50 = 26.0 nM 373.46 c1cc(-c2cc3c(ncn3CC3CC3)c(N3CCOCC3)n2)c2cc[nH]c2c1 Homo sapiens CHEMBL3372398 single protein format
CHEMBL4634477 OBDepict CH 3 P O CH 3 N N N H H 3 C N O H N IC50 = 28.0 nM 399.44 CCP(=O)(CC)c1cc(N2CCOC[C@H]2C)nc2c(-c3ccn[nH]3)nccc12 Homo sapiens CHEMBL4612706 cell-based format
CHEMBL2325718 OBDepict CH 3 N H N N N S O O CH 3 O IC50 = 28.0 nM 412.52 Cc1cc2c(-c3nc(N4CCOCC4)cc(C4(S(C)(=O)=O)CC4)n3)cccc2[nH]1 Homo sapiens CHEMBL2330635 single protein format