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P24941 | CDK2_HUMAN | Cyclin-dependent kinase 2 (CDK2)

3D structures mapped by conservation among orthologs

[ Domain: "Protein kinase" // Pkinase_Tyr ]

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[ 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
CHEMBL526110 OBDepict _ O + N O NH N N N N N IC50 = 0.3 nM 333.31 O=[N+]([O-])c1cccc(Nc2nccc(-c3cnn4ncccc34)n2)c1 Homo sapiens CHEMBL1002021 single protein format
CHEMBL317703 OBDepict H N N NH + N O _ O S O O NH 2 IC50 = 0.33 nM 359.37 NS(=O)(=O)c1ccc(Nc2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)cc1 Homo sapiens CHEMBL661129 single protein format
CHEMBL321517 OBDepict NH 2 N N H N H S O O NH 2 IC50 = 0.34 nM 329.39 Nc1ccc(-c2cc(Nc3ccc(S(N)(=O)=O)cc3)[nH]n2)cc1 Homo sapiens CHEMBL661129 single protein format
CHEMBL476577 OBDepict H 3 C N H O N N H N N F N N H 3 C H 3 C H 3 C IC50 = 0.5 nM 423.5 CC(=O)NC1CN(c2ccc(Nc3ncc(F)c(-c4cnc(C)n4C(C)C)n3)cc2)C1 Homo sapiens CHEMBL984724 single protein format
CHEMBL1964259 OBDepict OH O HN S O O N H O HN S N IC50 = 0.54 nM 460.54 O=C1Nc2ccc3ncsc3c2/C1=C/Nc1ccc(S(=O)(=O)NCCOCCO)cc1 Homo sapiens CHEMBL661125 single protein format
CHEMBL4088242 OBDepict O NH 2 N N O N H CH 3 H H 3 C S O O NH 2 IC50 = 0.8 nM 365.42 CC[C@@H](C)Oc1nc(Nc2ccc(S(N)(=O)=O)cc2)nc(N)c1C=O Homo sapiens CHEMBL4004948 single protein format
CHEMBL184510 OBDepict F N H F N N N N N Ki = 1.0 nM 324.29 Fc1cc(F)cc(Nc2nccc(-c3cnn4ncccc34)n2)c1 Homo sapiens CHEMBL827377 single protein format
CHEMBL559513 OBDepict CH 3 N N N H N N N CH 3 N O H 2 N IC50 = 1.0 nM 418.51 CN1CCN(c2cccc(Nc3ncc4c(n3)-c3c(c(C(N)=O)nn3C)CC4)c2)CC1 Homo sapiens CHEMBL1063936 single protein format
CHEMBL1964249 OBDepict H 3 C O O O O N S H 3 C O O HN O N H S N IC50 = 1.0 nM 576.7 COCCOCCOCCOCCN(C)S(=O)(=O)c1ccc(N/C=C2C(=O)Nc3ccc4ncsc4c32)cc1 Homo sapiens CHEMBL661125 single protein format
CHEMBL455429 OBDepict NH 2 O F NH N N F N N CH 3 H 3 C H 3 C IC50 < 1.0 nM 372.38 Cc1ncc(-c2nc(Nc3ccc(C(N)=O)c(F)c3)ncc2F)n1C(C)C Homo sapiens CHEMBL1022591 single protein format
CHEMBL509406 OBDepict H 3 C N N H O F N H N N F N N H 3 C H 3 C H 3 C IC50 = 1.0 nM 469.54 Cc1ncc(-c2nc(Nc3ccc(C(=O)NC4CCN(C)CC4)c(F)c3)ncc2F)n1C(C)C Homo sapiens CHEMBL1018123 single protein format
CHEMBL455651 OBDepict CH 3 N H O F NH N N F N N CH 3 H 3 C H 3 C IC50 < 1.0 nM 386.41 CNC(=O)c1ccc(Nc2ncc(F)c(-c3cnc(C)n3C(C)C)n2)cc1F Homo sapiens CHEMBL1022591 single protein format
CHEMBL460086 OBDepict O N H NH HN N N N N H 3 C CH 3 CH 3 IC50 < 1.0 nM 445.57 Cc1ncc(-c2ccnc(Nc3ccc(C(=O)N4CC[C@H](NC5CC5)C4)cc3)n2)n1C(C)C Homo sapiens CHEMBL1018123 single protein format
CHEMBL4292930 OBDepict OH H N N N H N N H 3 C + N _ O IC50 = 1.0 nM 382.47 Cc1cnn2c(NCc3ccc[n+]([O-])c3)cc(N3CCCC[C@@H]3CCO)nc12 Homo sapiens CHEMBL4271330 cell-based format
CHEMBL478409 OBDepict H 3 C O N H S O O HN N N N N H 3 C CH 3 CH 3 IC50 = 1.0 nM 430.53 COCCNS(=O)(=O)c1ccc(Nc2nccc(-c3cnc(C)n3C(C)C)n2)cc1 Homo sapiens CHEMBL992478 single protein format
CHEMBL455428 OBDepict CH 3 N H O F NH N N N N CH 3 H 3 C H 3 C IC50 < 1.0 nM 368.42 CNC(=O)c1ccc(Nc2nccc(-c3cnc(C)n3C(C)C)n2)cc1F Homo sapiens CHEMBL1022591 single protein format
CHEMBL186890 OBDepict Cl Cl N H N N N N N Ki = 1.0 nM 357.2 Clc1ccc(Nc2nccc(-c3cnn4ncccc34)n2)cc1Cl Homo sapiens CHEMBL827377 single protein format
CHEMBL359794 OBDepict N N H N N N N N Ki = 1.0 nM 313.32 N#Cc1ccc(Nc2nccc(-c3cnn4ncccc34)n2)cc1 Homo sapiens CHEMBL827377 single protein format
CHEMBL2103840 OBDepict HO H N N N H N N H 3 C + N _ O IC50 = 1.0 nM 396.5 CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(N3CCCC[C@H]3CCO)nc12 Homo sapiens CHEMBL3856516 cell-based format
CHEMBL1171950 OBDepict H 2 N N N N O H 2 N N N H IC50 = 1.0 nM 363.43 NCCCn1nc(C(N)=O)c2c1-c1nc(Nc3ccccc3)ncc1CC2 Homo sapiens CHEMBL1175614 single protein format
CHEMBL509881 OBDepict F N N N N H N H 3 C CH 3 CH 3 O H 2 N IC50 < 1.0 nM 354.39 Cc1ncc(-c2nc(Nc3ccc(C(N)=O)cc3)ncc2F)n1C(C)C Homo sapiens CHEMBL1022591 single protein format
CHEMBL455427 OBDepict H 2 N O F HN N N N N H 3 C CH 3 CH 3 IC50 < 1.0 nM 354.39 Cc1ncc(-c2ccnc(Nc3ccc(C(N)=O)c(F)c3)n2)n1C(C)C Homo sapiens CHEMBL1022591 single protein format
CHEMBL3890528 OBDepict O NH N N N N H N N N H IC50 = 1.08 nM 432.53 O=C1NCC2(CCCCC2)n2c1cc1cnc(Nc3ccc(N4CCNCC4)cn3)nc12 Homo sapiens CHEMBL3889221 single protein format
CHEMBL318999 OBDepict O N O N H 2 N N N H S O O NH 2 IC50 = 1.1 nM 406.47 Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nc(OCC2CCCCC2)c1N=O Homo sapiens CHEMBL661127 single protein format
CHEMBL411224 OBDepict CH 3 H 3 C NH N N H O S O O NH 2 IC50 = 1.2 nM 372.45 CC(C)Cc1cccc2c1/C(=N/Nc1ccc(S(N)(=O)=O)cc1)C(=O)N2 Homo sapiens CHEMBL661123 single protein format
CHEMBL445945 OBDepict O HN N H N S O O NH 2 IC50 = 1.5 nM 366.4 NS(=O)(=O)c1ccc(N/C=C2C(=O)Nc3ccc4ncccc4c32)cc1 Homo sapiens CHEMBL661125 single protein format
CHEMBL270544 OBDepict CH 3 H 3 C NH N N H O S O O NH 2 IC50 = 1.5 nM 370.43 CC(C)=Cc1cccc2c1/C(=N/Nc1ccc(S(N)(=O)=O)cc1)C(=O)N2 Homo sapiens CHEMBL661123 single protein format
CHEMBL409892 OBDepict O HN N N H N S O O NH 2 IC50 = 1.6 nM 367.39 NS(=O)(=O)c1ccc(N/N=C2C(=O)Nc3ccc4ncccc4c32)cc1 Homo sapiens CHEMBL661125 single protein format
CHEMBL3894860 OBDepict CH 3 N N N N H N N N O HN IC50 = 1.66 nM 446.56 CN1CCN(c2ccc(Nc3ncc4cc5n(c4n3)C3(CCCCC3)CNC5=O)nc2)CC1 Homo sapiens CHEMBL3889221 single protein format
CHEMBL271136 OBDepict H 3 C O NH O CH 3 O NH N N H O S O O NH 2 IC50 = 1.7 nM 509.54 COc1cccc(OC)c1CNC(=O)c1ccc2c(c1)/C(=N/Nc1ccc(S(N)(=O)=O)cc1)C(=O)N2 Homo sapiens CHEMBL661125 single protein format
CHEMBL429142 OBDepict CH 3 CH 3 O NH N H O S O O NH 2 IC50 = 1.9 nM 399.47 CC(C)CC(=O)c1ccc2c(c1)/C(=C/Nc1ccc(S(N)(=O)=O)cc1)C(=O)N2 Homo sapiens CHEMBL661125 single protein format
CHEMBL453862 OBDepict H 3 C N CH 3 O N H N N F N N CH 3 H 3 C H 3 C IC50 = 2.0 nM 382.44 Cc1ncc(-c2nc(Nc3ccc(C(=O)N(C)C)cc3)ncc2F)n1C(C)C Homo sapiens CHEMBL1022591 single protein format
CHEMBL488257 OBDepict CH 3 N H O NH N N N N H 3 C IC50 = 2.0 nM 376.46 CNC(=O)c1ccc(Nc2nccc(-c3cnc(C)n3C3CCCC3)n2)cc1 Homo sapiens CHEMBL1022591 single protein format
CHEMBL487067 OBDepict OH N H O HN N N N N H 3 C CH 3 CH 3 IC50 = 2.0 nM 380.45 Cc1ncc(-c2ccnc(Nc3ccc(C(=O)NCCO)cc3)n2)n1C(C)C Homo sapiens CHEMBL1022591 single protein format
CHEMBL454648 OBDepict H 3 C N CH 3 O F N H N N F N N CH 3 H 3 C H 3 C IC50 = 2.0 nM 400.43 Cc1ncc(-c2nc(Nc3ccc(C(=O)N(C)C)c(F)c3)ncc2F)n1C(C)C Homo sapiens CHEMBL1022591 single protein format
CHEMBL260416 OBDepict O N H N N H N Br HO IC50 = 2.0 nM 373.21 O=C(Nc1n[nH]c2nc(-c3ccc(O)c(Br)c3)ccc12)C1CC1 Homo sapiens CHEMBL661128 single protein format
CHEMBL460102 OBDepict H 3 C N H 3 C H N O N H N N F N N CH 3 H 3 C H 3 C IC50 = 2.0 nM 451.55 Cc1ncc(-c2nc(Nc3ccc(C(=O)N4CC[C@H](N(C)C)C4)cc3)ncc2F)n1C(C)C Homo sapiens CHEMBL1018123 single protein format
CHEMBL462385 OBDepict CH 3 N H 3 C HN O F N H N N F N N H 3 C CH 3 CH 3 IC50 = 2.0 nM 443.5 Cc1ncc(-c2nc(Nc3ccc(C(=O)NCCN(C)C)c(F)c3)ncc2F)n1C(C)C Homo sapiens CHEMBL1018123 single protein format
CHEMBL3648116 OBDepict Br N N N H N H CH 3 H HO CH 3 CH 3 S O HN CH 3 IC50 = 2.0 nM 428.36 C[C@H](Nc1nc(Nc2ccc(S(C)(=N)=O)cc2)ncc1Br)C(C)(C)O Homo sapiens CHEMBL3705313 single protein format
CHEMBL462192 OBDepict H 3 C N N O NH N N F N N H 3 C CH 3 CH 3 IC50 = 2.0 nM 451.55 Cc1ncc(-c2nc(Nc3ccc(C(=O)N4CCCN(C)CC4)cc3)ncc2F)n1C(C)C Homo sapiens CHEMBL1018123 single protein format
CHEMBL460087 OBDepict H 3 C N H H N O N H N N N N CH 3 H 3 C H 3 C IC50 = 2.0 nM 419.53 CN[C@H]1CCN(C(=O)c2ccc(Nc3nccc(-c4cnc(C)n4C(C)C)n3)cc2)C1 Homo sapiens CHEMBL1018123 single protein format
CHEMBL455657 OBDepict H 3 C N H H N O N H N N F N N CH 3 H 3 C H 3 C IC50 = 2.0 nM 437.52 CN[C@H]1CCN(C(=O)c2ccc(Nc3ncc(F)c(-c4cnc(C)n4C(C)C)n3)cc2)C1 Homo sapiens CHEMBL1018123 single protein format
CHEMBL559845 OBDepict H 3 C N N N O NH 2 N N H IC50 = 2.0 nM 320.36 Cn1nc(C(N)=O)c2c1-c1nc(Nc3ccccc3)ncc1CC2 Homo sapiens CHEMBL1063936 single protein format
CHEMBL213713 OBDepict CH 3 O F O F F N H 2 N N N H N S O O CH 3 Ki = 2.0 nM 459.45 COc1cc(F)c(F)c(F)c1C(=O)c1cnc(NC2CCN(S(C)(=O)=O)CC2)nc1N Homo sapiens CHEMBL908827 single protein format
CHEMBL560817 OBDepict CH 3 N N N H N N N CH 3 N O H 2 N IC50 = 2.0 nM 418.51 CN1CCN(c2ccc(Nc3ncc4c(n3)-c3c(c(C(N)=O)nn3C)CC4)cc2)CC1 Homo sapiens CHEMBL1063936 single protein format
CHEMBL194721 OBDepict Cl NH N N N H F F F N N H IC50 = 2.0 nM 404.78 FC(F)(F)c1cnc(Nc2ccc3[nH]cnc3c2)nc1Nc1ccccc1Cl Homo sapiens CHEMBL1250281 single protein format
CHEMBL191003 OBDepict F F N O N H 2 N N N H S O O NH 2 IC50 = 2.0 nM 394.36 Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nn1C(=O)c1c(F)cccc1F Homo sapiens CHEMBL869293 single protein format
CHEMBL3298985 OBDepict H 3 C NH H N O Cl N N N HN O IC50 = 2.0 nM 454.96 CC[C@@H](NC(=O)N1CCc2cnc(NC3CCOCC3)nc2C1)c1ccc(C#N)c(Cl)c1 Homo sapiens CHEMBL3364483 single protein format
CHEMBL3298199 OBDepict OH H O H NH N N N NH O H 3 C H Cl Cl IC50 = 2.0 nM 480.4 C[C@@H](NC(=O)N1CCc2cnc(N[C@H]3CCO[C@@H](CO)C3)nc2C1)c1ccc(Cl)c(Cl)c1 Homo sapiens CHEMBL3364483 single protein format
CHEMBL3648117 OBDepict Br N N N H N H CH 3 H HO CH 3 H S O HN CH 3 IC50 = 2.0 nM 414.33 C[C@H](O)[C@@H](C)Nc1nc(Nc2ccc(S(C)(=N)=O)cc2)ncc1Br Homo sapiens CHEMBL3705313 single protein format
CHEMBL4457608 OBDepict OH N N H O NH HO + N O _ O IC50 = 2.0 nM 338.28 O=C1Nc2ccc([N+](=O)[O-])cc2/C1=C1/Nc2ccc(O)cc2/C1=NO Homo sapiens CHEMBL4408759 single protein format
CHEMBL3648115 OBDepict H 3 C O S HN O NH CH 3 N N N H Br H 3 C H OH CH 3 CH 3 IC50 = 2.0 nM 458.38 COc1cc(Nc2ncc(Br)c(N[C@H](C)C(C)(C)O)n2)ccc1S(C)(=N)=O Homo sapiens CHEMBL3705313 single protein format
CHEMBL192602 OBDepict O N H CH 3 H N N H N O N H IC50 = 2.0 nM 339.4 C[C@H](C(=O)Nc1cc(C2CC2)[nH]n1)c1ccc(N2CCNC2=O)cc1 Homo sapiens CHEMBL951804 single protein format
CHEMBL73303 OBDepict NH 2 S O O N H N N N N IC50 = 2.0 nM 366.41 NS(=O)(=O)c1ccc(Nc2nccc(-c3cnc4ccccn34)n2)cc1 Homo sapiens CHEMBL992478 single protein format
CHEMBL364370 OBDepict F F N H N N N N N Ki = 2.0 nM 324.29 Fc1ccc(Nc2nccc(-c3cnn4ncccc34)n2)cc1F Homo sapiens CHEMBL827377 single protein format
CHEMBL190446 OBDepict O N CH 3 H N H O N N H IC50 = 2.0 nM 386.46 C[C@H](C(=O)Nc1cc(C2CC2)[nH]n1)c1ccc(N2Cc3ccccc3C2=O)cc1 Homo sapiens CHEMBL951804 single protein format
CHEMBL259838 OBDepict O N H N N H N Cl HO IC50 = 2.0 nM 328.76 O=C(Nc1n[nH]c2nc(-c3ccc(O)c(Cl)c3)ccc12)C1CC1 Homo sapiens CHEMBL661128 single protein format
CHEMBL411887 OBDepict H 3 C N H O NH O S N O O NH 2 IC50 = 2.0 nM 396.43 C/C(Nc1ccc(S(N)(=O)=O)cc1)=C1/C(=O)Nc2ccc(-c3cnco3)cc21 Homo sapiens CHEMBL661125 single protein format
CHEMBL359794 OBDepict N N H N N N N N IC50 = 2.0 nM 313.32 N#Cc1ccc(Nc2nccc(-c3cnn4ncccc34)n2)cc1 Homo sapiens CHEMBL1002021 single protein format
CHEMBL178769 OBDepict Cl S N H N O O H 3 C CH 3 N N N NH Br H H H 2 N IC50 = 2.0 nM 542.89 CN(C)S(=O)(=O)c1ccc(Nc2cc(N[C@H]3CC[C@H](N)CC3)nc3c(Br)cnn23)cc1Cl Homo sapiens CHEMBL828118 single protein format
CHEMBL495696 OBDepict N NH N N N N N IC50 = 2.0 nM 313.32 N#Cc1cccc(Nc2nccc(-c3cnn4ncccc34)n2)c1 Homo sapiens CHEMBL1002021 single protein format
CHEMBL298445 OBDepict NH 2 N S CH 3 N N N H + N O _ O Ki = 2.0 nM 328.36 Cc1nc(N)sc1-c1ccnc(Nc2cccc([N+](=O)[O-])c2)n1 Homo sapiens CHEMBL658107 single protein format
CHEMBL187081 OBDepict CH 3 O N H N N N N N Ki = 2.0 nM 318.34 COc1cccc(Nc2nccc(-c3cnn4ncccc34)n2)c1 Homo sapiens CHEMBL827377 single protein format
CHEMBL271953 OBDepict O HN N N H HN O S O O NH 2 N IC50 = 2.1 nM 450.48 NS(=O)(=O)c1ccc(N/N=C2C(=O)Nc3ccc(C(=O)NCc4cccnc4)cc32)cc1 Homo sapiens CHEMBL661123 single protein format
CHEMBL409731 OBDepict CH 3 O O NH N H O S O O NH 2 IC50 = 2.1 nM 373.39 COC(=O)c1ccc2c(c1)/C(=C/Nc1ccc(S(N)(=O)=O)cc1)C(=O)N2 Homo sapiens CHEMBL661124 single protein format
CHEMBL4568087 OBDepict H 3 C N N N N N S N H O H H H 2 N IC50 = 2.2 nM 421.53 Cn1cc(-c2cnc3c(-c4csc(C(=O)N[C@@H]5CCCC[C@@H]5N)c4)cnn3c2)cn1 Homo sapiens CHEMBL4479703 assay format
CHEMBL269882 OBDepict O HN N N H Cl N N H S O O NH 2 IC50 = 2.2 nM 390.81 NS(=O)(=O)c1ccc(N/N=C2C(=O)Nc3ccc4[nH]nc(Cl)c4c32)cc1 Homo sapiens CHEMBL661125 single protein format
CHEMBL269827 OBDepict O HN N N H O N S O O NH 2 IC50 = 2.3 nM 383.39 NS(=O)(=O)c1ccc(N/N=C2C(=O)Nc3ccc(-c4cnco4)cc32)cc1 Homo sapiens CHEMBL661123 single protein format
CHEMBL411426 OBDepict H 3 C H 3 C NH N N H O S O O NH 2 IC50 = 2.5 nM 358.42 CC(C)c1cccc2c1/C(=N/Nc1ccc(S(N)(=O)=O)cc1)C(=O)N2 Homo sapiens CHEMBL661123 single protein format
CHEMBL270132 OBDepict O HN N H O N S O O NH 2 IC50 = 2.5 nM 382.4 NS(=O)(=O)c1ccc(N/C=C2C(=O)Nc3ccc(-c4cnco4)cc32)cc1 Homo sapiens CHEMBL661125 single protein format
CHEMBL271595 OBDepict O HN N H S N S O O NH 2 IC50 = 2.8 nM 372.43 NS(=O)(=O)c1ccc(N/C=C2C(=O)Nc3ccc4ncsc4c32)cc1 Homo sapiens CHEMBL952109 single protein format
CHEMBL1794055 OBDepict O HN N H S N S O O NH 2 IC50 = 2.8 nM 372.43 NS(=O)(=O)c1ccc(NC=C2C(=O)Nc3ccc4ncsc4c32)cc1 Homo sapiens CHEMBL661124 single protein format
CHEMBL71044 OBDepict H 3 C N H 3 C N H S O O HN N N N N IC50 < 3.0 nM 451.56 CN(C)CCCNS(=O)(=O)c1ccc(Nc2nccc(-c3cnc4ccccn34)n2)cc1 Homo sapiens CHEMBL660785 single protein format
CHEMBL311464 OBDepict NH 2 S F N HN H O IC50 = 3.0 nM 327.38 NCCSc1cc(-c2ccc[nH]2)c2c3c(ccc(F)c13)NC2=O Homo sapiens CHEMBL658939 single protein format
CHEMBL3648109 OBDepict HO S O HN N H N N N H Br CH 3 H OH H 3 C H IC50 = 3.0 nM 444.36 C[C@@H](O)[C@@H](C)Nc1nc(Nc2ccc(S(=N)(=O)CCO)cc2)ncc1Br Homo sapiens CHEMBL3705313 single protein format
CHEMBL485425 OBDepict H 3 C NH S O O N H N N N N CH 3 CH 3 IC50 < 3.0 nM 358.43 CNS(=O)(=O)c1ccc(Nc2nccc(-c3cnc(C)n3C)n2)cc1 Homo sapiens CHEMBL992478 single protein format
CHEMBL484555 OBDepict H 3 C O N H S O O HN N N N N CH 3 IC50 < 3.0 nM 456.57 COCCNS(=O)(=O)c1ccc(Nc2nccc(-c3cnc(C)n3C3CCCC3)n2)cc1 Homo sapiens CHEMBL992478 single protein format
CHEMBL444194 OBDepict N HN N N N N H 3 C CH 3 CH 3 IC50 < 3.0 nM 318.38 Cc1ncc(-c2ccnc(Nc3ccc(C#N)cc3)n2)n1C(C)C Homo sapiens CHEMBL984724 single protein format
CHEMBL497564 OBDepict N N H N N N N N O IC50 = 3.0 nM 355.36 c1cc(Nc2nccc(-c3cnn4ncccc34)n2)cc(-c2cocn2)c1 Homo sapiens CHEMBL1002021 single protein format
CHEMBL3648112 OBDepict H 3 C O S HN O NH CH 3 N N N H Br H 3 C H OH CH 3 H IC50 = 3.0 nM 444.36 COc1cc(Nc2ncc(Br)c(N[C@H](C)[C@H](C)O)n2)ccc1S(C)(=N)=O Homo sapiens CHEMBL3705313 single protein format
CHEMBL455195 OBDepict CH 3 NH NH O N S S N O CH 3 H 3 C CH 3 IC50 = 3.0 nM 408.59 CCC1CC(C(=O)Nc2ncc(SCc3ncc(C(C)(C)C)o3)s2)CCN1 Homo sapiens CHEMBL965585 single protein format
CHEMBL2163996 OBDepict F Cl HN N N N N H Cl H H H 2 N IC50 = 3.0 nM 409.3 N[C@H]1CC[C@H](Nc2cc(Nc3ccc(F)c(Cl)c3)n3ncc(Cl)c3n2)CC1 Homo sapiens CHEMBL2166172 single protein format
CHEMBL477567 OBDepict H 3 C N CH 3 CH 3 N N N N H N N S O O CH 3 IC50 < 3.0 nM 455.59 Cc1ncc(-c2ccnc(Nc3ccc(N4CCN(S(C)(=O)=O)CC4)cc3)n2)n1C(C)C Homo sapiens CHEMBL984724 single protein format
CHEMBL3648110 OBDepict HO S O HN N H N N N H Br CH 3 H OH H 3 C H IC50 = 3.0 nM 444.36 C[C@H](O)[C@@H](C)Nc1nc(Nc2ccc(S(=N)(=O)CCO)cc2)ncc1Br Homo sapiens CHEMBL3705313 single protein format
CHEMBL478408 OBDepict Cl HN N N N N H 3 C CH 3 CH 3 IC50 < 3.0 nM 327.82 Cc1ncc(-c2ccnc(Nc3ccc(Cl)cc3)n2)n1C(C)C Homo sapiens CHEMBL984724 single protein format
CHEMBL188938 OBDepict _ O + N O NH N N N N N IC50 = 3.0 nM 333.31 O=[N+]([O-])c1ccc(Nc2nccc(-c3cnn4ncccc34)n2)cc1 Homo sapiens CHEMBL1002021 single protein format
CHEMBL520003 OBDepict H 3 C NH S O O N H N N N N N IC50 < 3.0 nM 381.42 CNS(=O)(=O)c1ccc(Nc2nccc(-c3cnc4cccnn34)n2)cc1 Homo sapiens CHEMBL992478 single protein format
CHEMBL514384 OBDepict H 3 C O S N O O N N H N N N N H 3 C CH 3 CH 3 IC50 < 3.0 nM 499.64 COCCS(=O)(=O)N1CCN(c2ccc(Nc3nccc(-c4cnc(C)n4C(C)C)n3)cc2)CC1 Homo sapiens CHEMBL984724 single protein format
CHEMBL477568 OBDepict CH 3 N O N N H N N N N CH 3 CH 3 CH 3 IC50 < 3.0 nM 419.53 CC(=O)N1CCN(c2ccc(Nc3nccc(-c4cnc(C)n4C(C)C)n3)cc2)CC1 Homo sapiens CHEMBL984724 single protein format
CHEMBL419634 OBDepict H 3 C O N H S O O HN N N N N N IC50 < 3.0 nM 449.5 COCCNS(=O)(=O)c1ccc(Nc2nccc(-c3cnc4ccc(C#N)cn34)n2)cc1 Homo sapiens CHEMBL660785 single protein format
CHEMBL186101 OBDepict CH 3 N H CH 3 N N N N N Ki = 3.0 nM 316.37 Cc1cc(C)cc(Nc2nccc(-c3cnn4ncccc34)n2)c1 Homo sapiens CHEMBL827377 single protein format
CHEMBL488084 OBDepict H 2 N O HN N N N N H 3 C CH 3 CH 3 IC50 = 3.0 nM 336.4 Cc1ncc(-c2ccnc(Nc3ccc(C(N)=O)cc3)n2)n1C(C)C Homo sapiens CHEMBL1022591 single protein format
CHEMBL73038 OBDepict H 3 C O N H S O O HN N N N N Br IC50 < 3.0 nM 503.38 COCCNS(=O)(=O)c1ccc(Nc2nccc(-c3cnc4ccc(Br)cn34)n2)cc1 Homo sapiens CHEMBL660785 single protein format
CHEMBL269883 OBDepict CH 3 H 3 C O O NH N H O S O O NH 2 IC50 = 3.0 nM 415.47 CC(C)COC(=O)c1ccc2c(c1)/C(=C/Nc1ccc(S(N)(=O)=O)cc1)C(=O)N2 Homo sapiens CHEMBL661125 single protein format
CHEMBL354634 OBDepict CH 3 O N H O N H F OH H NH 2 H OH H 3 C H IC50 = 3.0 nM 385.4 COc1cc[nH]c1/C=C1C(=O)Nc2ccc(F)c(C#C[C@@H](O)[C@@H](N)[C@@H](C)O)c21 Homo sapiens CHEMBL4346796 single protein format
CHEMBL508129 OBDepict CH 3 N H O NH N N N N CH 3 H 3 C H 3 C IC50 = 3.0 nM 350.43 CNC(=O)c1ccc(Nc2nccc(-c3cnc(C)n3C(C)C)n2)cc1 Homo sapiens CHEMBL1022591 single protein format
CHEMBL4644434 OBDepict OH HN H HO H OH N N H N N H 3 C H 3 C IC50 = 3.0 nM 385.47 CC(C)c1cnn2c(NCc3ccccc3)cc(N[C@@H](CO)[C@@H](O)CO)nc12 Homo sapiens CHEMBL4611859 single protein format
CHEMBL518383 OBDepict F N H O N N N H H O F F IC50 = 3.0 nM 360.3 O=C(Nc1ccc(F)cc1)c1n[nH]cc1NC(=O)c1c(F)cccc1F Homo sapiens CHEMBL971698 single protein format
CHEMBL453655 OBDepict CH 3 N H O NH N N F N N CH 3 H 3 C H 3 C IC50 = 3.0 nM 368.42 CNC(=O)c1ccc(Nc2ncc(F)c(-c3cnc(C)n3C(C)C)n2)cc1 Homo sapiens CHEMBL1022591 single protein format
CHEMBL477785 OBDepict CH 3 N CH 3 S N O O N N H N N N N CH 3 H 3 C H 3 C IC50 = 3.0 nM 512.68 Cc1ncc(-c2ccnc(Nc3ccc(N4CCN(S(=O)(=O)CCN(C)C)CC4)cc3)n2)n1C(C)C Homo sapiens CHEMBL984724 single protein format