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P27707 | DCK_HUMAN | Deoxycytidine kinase (DCK)

3D structures mapped by conservation among orthologs

[ Domain: "P-loop containing nucleoside triphosphate hydrolases" // dNK ]

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[ Alpha Fold Model ] (go)


Known binders annotated in ChEMBL

IC50 table

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL1081002 OBDepict N O N F N N O N N NH 2 IC50 = 0.7 nM 407.41 N#Cc1ccccc1Oc1ncnc(N2CCC(Oc3nccc(N)n3)CC2)c1F Homo sapiens CHEMBL1101183 single protein format
CHEMBL1081903 OBDepict CH 3 O O N N F N N O N N H 2 N F IC50 = 1.0 nM 455.43 COc1ccc(C#N)cc1Oc1ncnc(N2CCC(Oc3ncc(F)c(N)n3)CC2)c1F Homo sapiens CHEMBL1101183 single protein format
CHEMBL1080093 OBDepict N O N F N N O N N NH 2 F IC50 = 1.0 nM 425.4 N#Cc1ccccc1Oc1ncnc(N2CCC(Oc3ncc(F)c(N)n3)CC2)c1F Homo sapiens CHEMBL1101183 single protein format
CHEMBL2426563 OBDepict H 3 C S N S N N O F H 2 N NH 2 OH IC50 = 1.07 nM 435.55 CCCc1sc(-c2ccc(F)c(OCCO)c2)nc1CSc1nc(N)cc(N)n1 Homo sapiens CHEMBL2429676 cell-based format
CHEMBL2426570 OBDepict CH 3 S N S N N O O NH 2 H 2 N H 3 C HO IC50 = 1.15 nM 447.59 CCCc1sc(-c2ccc(OC)c(OCCO)c2)nc1CSc1nc(N)cc(N)n1 Homo sapiens CHEMBL2429676 cell-based format
CHEMBL3358096 OBDepict CH 3 O O O O O CH 3 S N H 3 C S CH 3 H N N NH 2 H 2 N IC50 = 1.25 nM 549.72 CCOc1cc(-c2nc([C@@H](C)Sc3nc(N)cc(N)n3)c(C)s2)ccc1OCCOCCOCCOC Homo sapiens CHEMBL3381706 cell-based format
CHEMBL2426573 OBDepict H 3 C S N S N N O O H 2 N NH 2 CH 3 OH CH 3 H 3 C IC50 = 1.44 nM 475.64 CCCc1sc(-c2ccc(OC)c(OCC(C)(C)O)c2)nc1CSc1nc(N)cc(N)n1 Homo sapiens CHEMBL2429676 cell-based format
CHEMBL2426569 OBDepict H 3 C S N S N N O O H 2 N NH 2 CH 3 OH IC50 = 1.55 nM 461.61 CCCc1sc(-c2ccc(OC)c(OCCCO)c2)nc1CSc1nc(N)cc(N)n1 Homo sapiens CHEMBL2429676 cell-based format
CHEMBL1080444 OBDepict O N H N H S H N O N F H 2 N IC50 = 1.7 nM 449.51 Nc1nc(=O)n([C@H]2CC[C@H](NC(=O)c3cc(-c4cc5ccccc5s4)ccn3)C2)cc1F Homo sapiens CHEMBL1101518 assay format
CHEMBL1081904 OBDepict N O O CH 3 N F N N O N N NH 2 F IC50 = 2.0 nM 455.43 COc1ccc(Oc2ncnc(N3CCC(Oc4ncc(F)c(N)n4)CC3)c2F)c(C#N)c1 Homo sapiens CHEMBL1101183 single protein format
CHEMBL2426562 OBDepict H 3 C S N S N N O H 2 N NH 2 OH IC50 = 2.45 nM 417.56 CCCc1sc(-c2cccc(OCCO)c2)nc1CSc1nc(N)cc(N)n1 Homo sapiens CHEMBL2429676 cell-based format
CHEMBL2426567 OBDepict H 3 C S N S N N O O H 2 N NH 2 OH OH IC50 = 2.59 nM 477.61 CCCc1sc(-c2ccc(OCCO)c(OCCO)c2)nc1CSc1nc(N)cc(N)n1 Homo sapiens CHEMBL2429676 cell-based format
CHEMBL2426564 OBDepict HO O F S N S H 3 C N N H 2 N NH 2 IC50 = 2.83 nM 435.55 CCCc1sc(-c2cc(F)cc(OCCO)c2)nc1CSc1nc(N)cc(N)n1 Homo sapiens CHEMBL2429676 cell-based format
CHEMBL2426572 OBDepict H 3 C S N S N N O O H 2 N NH 2 CH 3 OH H 3 C IC50 = 2.85 nM 461.61 CCCc1sc(-c2ccc(OC)c(OCC(C)O)c2)nc1CSc1nc(N)cc(N)n1 Homo sapiens CHEMBL2429676 cell-based format
CHEMBL2426571 OBDepict H 3 C S N S N N O O NH 2 CH 3 OH IC50 = 2.9 nM 432.57 CCCc1sc(-c2ccc(OC)c(OCCO)c2)nc1CSc1nccc(N)n1 Homo sapiens CHEMBL2429676 cell-based format
CHEMBL1079906 OBDepict N O N N N O N N NH 2 F IC50 = 3.0 nM 407.41 N#Cc1ccccc1Oc1cc(N2CCC(Oc3ncc(F)c(N)n3)CC2)ncn1 Homo sapiens CHEMBL1101183 single protein format
CHEMBL1079768 OBDepict F N NH 2 N O N N N S IC50 = 3.0 nM 450.54 Nc1nc(OCCC2CCN(c3cc(-c4cc5ccccc5s4)ncn3)CC2)ncc1F Homo sapiens CHEMBL1101183 single protein format
CHEMBL1080443 OBDepict Cl O N N N O N N NH 2 F IC50 = 3.0 nM 416.84 Nc1nc(OC2CCN(c3cc(Oc4ccccc4Cl)ncn3)CC2)ncc1F Homo sapiens CHEMBL1101183 single protein format
CHEMBL1080636 OBDepict N O O CH 3 N N N O N N NH 2 F IC50 = 3.0 nM 437.44 COc1ccc(Oc2cc(N3CCC(Oc4ncc(F)c(N)n4)CC3)ncn2)c(C#N)c1 Homo sapiens CHEMBL1101183 single protein format
CHEMBL2426558 OBDepict CH 3 S N S N N O O NH 2 H 2 N H 3 C F IC50 = 3.0 nM 449.58 CCCc1sc(-c2ccc(OC)c(OCCF)c2)nc1CSc1nc(N)cc(N)n1 Homo sapiens CHEMBL2429676 cell-based format
CHEMBL1081350 OBDepict F N NH 2 N O N N N O IC50 = 3.0 nM 458.5 Nc1nc(OC2CCN(c3cc(Oc4ccccc4-c4ccccc4)ncn3)CC2)ncc1F Homo sapiens CHEMBL1101183 single protein format
CHEMBL3358097 OBDepict H 3 C O O N S N H S H 3 C O O CH 3 S CH 3 H N N NH 2 NH 2 IC50 = 3.7 nM 510.67 COc1ccc(-c2nc([C@@H](C)Sc3nc(N)cc(N)n3)c(C)s2)cc1OCCNS(C)(=O)=O Homo sapiens CHEMBL3381706 cell-based format
CHEMBL1079379 OBDepict CH 3 O O N F N N O N N H 2 N F IC50 = 4.0 nM 430.42 COc1ccc(Oc2ncnc(N3CCC(Oc4ncc(F)c(N)n4)CC3)c2F)cc1 Homo sapiens CHEMBL1101183 single protein format
CHEMBL1079380 OBDepict N O N F N N O N N H 2 N F IC50 = 4.0 nM 425.4 N#Cc1cccc(Oc2ncnc(N3CCC(Oc4ncc(F)c(N)n4)CC3)c2F)c1 Homo sapiens CHEMBL1101183 single protein format
CHEMBL2426574 OBDepict H 3 C S N S N N O O H 2 N NH 2 H 3 C N H S O O CH 3 IC50 = 4.89 nM 524.69 CCCc1sc(-c2ccc(OC)c(OCCNS(C)(=O)=O)c2)nc1CSc1nc(N)cc(N)n1 Homo sapiens CHEMBL2429676 cell-based format
CHEMBL1079601 OBDepict CH 3 O O N N N O N N NH 2 F IC50 = 5.0 nM 412.43 COc1ccccc1Oc1cc(N2CCC(Oc3ncc(F)c(N)n3)CC2)ncn1 Homo sapiens CHEMBL1101183 single protein format
CHEMBL1080092 OBDepict N O N Br N N O N N NH 2 F IC50 = 5.0 nM 486.31 N#Cc1ccccc1Oc1ncnc(N2CCC(Oc3ncc(F)c(N)n3)CC2)c1Br Homo sapiens CHEMBL1101183 single protein format
CHEMBL1081727 OBDepict N O N F N N O N N NH 2 F IC50 = 5.0 nM 425.4 N#Cc1ccc(Oc2ncnc(N3CCC(Oc4ncc(F)c(N)n4)CC3)c2F)cc1 Homo sapiens CHEMBL1101183 single protein format
CHEMBL1081901 OBDepict F O N N N O N N NH 2 F IC50 = 6.0 nM 400.39 Nc1nc(OC2CCN(c3cc(Oc4ccccc4F)ncn3)CC2)ncc1F Homo sapiens CHEMBL1101183 single protein format
CHEMBL3358094 OBDepict F O O CH 3 N S H 3 C S CH 3 N N NH 2 H 2 N IC50 = 7.0 nM 435.55 COc1ccc(-c2nc(C(C)Sc3nc(N)cc(N)n3)c(C)s2)cc1OCCF Homo sapiens CHEMBL3381706 cell-based format
CHEMBL2426598 OBDepict F O O CH 3 N S S H 3 C N N H 2 N NH 2 IC50 = 7.0 nM 435.55 CCc1sc(-c2ccc(OC)c(OCCF)c2)nc1CSc1nc(N)cc(N)n1 Homo sapiens CHEMBL2429676 cell-based format
CHEMBL2426566 OBDepict H 3 C S N S N N F O H 2 N NH 2 N H S O O CH 3 IC50 = 8.01 nM 512.66 CCCc1sc(-c2cc(F)cc(OCCNS(C)(=O)=O)c2)nc1CSc1nc(N)cc(N)n1 Homo sapiens CHEMBL2429676 cell-based format
CHEMBL1081544 OBDepict Cl CH 3 O N N N O N N NH 2 F IC50 = 9.0 nM 430.87 Cc1cc(Cl)ccc1Oc1cc(N2CCC(Oc3ncc(F)c(N)n3)CC2)ncn1 Homo sapiens CHEMBL1101183 single protein format
CHEMBL1079603 OBDepict CH 3 O N N N O N N NH 2 F IC50 = 9.0 nM 396.43 Cc1ccccc1Oc1cc(N2CCC(Oc3ncc(F)c(N)n3)CC2)ncn1 Homo sapiens CHEMBL1101183 single protein format
CHEMBL3358093 OBDepict CH 3 S N S CH 3 N N O O NH 2 H 2 N CH 3 F IC50 = 10.0 nM 463.6 CCCc1sc(-c2ccc(OC)c(OCCF)c2)nc1C(C)Sc1nc(N)cc(N)n1 Homo sapiens CHEMBL3381706 cell-based format
CHEMBL1080818 OBDepict N O N N N CH 3 O N N H 2 N F IC50 = 10.0 nM 421.44 Cc1nc(Oc2ccccc2C#N)cc(N2CCC(Oc3ncc(F)c(N)n3)CC2)n1 Homo sapiens CHEMBL1101183 single protein format
CHEMBL1079735 OBDepict CH 3 O N N N O N N NH 2 F IC50 = 10.0 nM 410.45 CCc1ccccc1Oc1cc(N2CCC(Oc3ncc(F)c(N)n3)CC2)ncn1 Homo sapiens CHEMBL1101183 single protein format
CHEMBL2426557 OBDepict CH 3 S N S N N F NH 2 H 2 N IC50 = 11.0 nM 361.47 CCc1sc(-c2cccc(F)c2)nc1CSc1nc(N)cc(N)n1 Homo sapiens CHEMBL2429676 cell-based format
CHEMBL2426565 OBDepict H 3 C S N S N N O NH 2 H 2 N N H S O O CH 3 IC50 = 11.58 nM 494.67 CCCc1sc(-c2cccc(OCCNS(C)(=O)=O)c2)nc1CSc1nc(N)cc(N)n1 Homo sapiens CHEMBL2429676 cell-based format
CHEMBL1079907 OBDepict N O N N N O N N H 2 N F IC50 = 13.0 nM 407.41 N#Cc1cccc(Oc2cc(N3CCC(Oc4ncc(F)c(N)n4)CC3)ncn2)c1 Homo sapiens CHEMBL1101183 single protein format
CHEMBL2426588 OBDepict F O O CH 3 N S H 3 C S N N NH 2 H 2 N IC50 = 18.0 nM 421.52 COc1ccc(-c2nc(CSc3nc(N)cc(N)n3)c(C)s2)cc1OCCF Homo sapiens CHEMBL2429676 cell-based format
CHEMBL2426568 OBDepict H 3 C S N S N N OH O H 2 N NH 2 CH 3 IC50 = 18.62 nM 403.53 CCCc1sc(-c2ccc(OC)c(O)c2)nc1CSc1nc(N)cc(N)n1 Homo sapiens CHEMBL2429676 cell-based format
CHEMBL1081351 OBDepict Cl O N N N O N N NH 2 F IC50 = 19.0 nM 416.84 Nc1nc(OC2CCN(c3cc(Oc4ccc(Cl)cc4)ncn3)CC2)ncc1F Homo sapiens CHEMBL1101183 single protein format
CHEMBL1079602 OBDepict CH 3 O N N N O N N NH 2 F IC50 = 21.0 nM 396.43 Cc1ccc(Oc2cc(N3CCC(Oc4ncc(F)c(N)n4)CC3)ncn2)cc1 Homo sapiens CHEMBL1101183 single protein format
CHEMBL1079771 OBDepict Cl Cl S HN O O H H N O N F NH 2 IC50 = 21.0 nM 497.38 Nc1nc(=O)n([C@H]2CC[C@H](NS(=O)(=O)c3cccc(-c4ccc(Cl)cc4Cl)c3)C2)cc1F Homo sapiens CHEMBL1101518 assay format
CHEMBL1080817 OBDepict N O N CH 3 N N O N N NH 2 F IC50 = 21.0 nM 421.44 Cc1c(Oc2ccccc2C#N)ncnc1N1CCC(Oc2ncc(F)c(N)n2)CC1 Homo sapiens CHEMBL1101183 single protein format
CHEMBL1079432 OBDepict Cl H 3 C S N H O O H H N O N F H 2 N IC50 = 21.0 nM 476.96 Cc1cc(Cl)ccc1-c1cccc(S(=O)(=O)N[C@H]2CC[C@H](n3cc(F)c(N)nc3=O)C2)c1 Homo sapiens CHEMBL1101518 assay format
CHEMBL1079784 OBDepict Cl CH 3 N H O H H N O N F H 2 N IC50 = 21.0 nM 440.91 Cc1cc(Cl)ccc1-c1cccc(C(=O)N[C@H]2CC[C@H](n3cc(F)c(N)nc3=O)C2)c1 Homo sapiens CHEMBL1101518 assay format
CHEMBL3358091 OBDepict H 3 C S N S N N O O NH 2 CH 3 OH CH 3 H 3 C IC50 = 21.8 nM 460.63 CCCc1sc(-c2ccc(OC)c(OCC(C)(C)O)c2)nc1CSc1nccc(N)n1 Homo sapiens CHEMBL3381706 cell-based format
CHEMBL1081352 OBDepict Cl O N N N O N N NH 2 F IC50 = 22.0 nM 416.84 Nc1nc(OC2CCN(c3cc(Oc4cccc(Cl)c4)ncn3)CC2)ncc1F Homo sapiens CHEMBL1101183 single protein format
CHEMBL1076272 OBDepict CH 3 O O N N N O N N NH 2 F IC50 = 23.0 nM 412.43 COc1cccc(Oc2cc(N3CCC(Oc4ncc(F)c(N)n4)CC3)ncn2)c1 Homo sapiens CHEMBL1101183 single protein format
CHEMBL1076274 OBDepict Cl N H O H H N O N F NH 2 IC50 = 23.0 nM 426.88 Nc1nc(=O)n([C@H]2CC[C@H](NC(=O)c3cccc(-c4cccc(Cl)c4)c3)C2)cc1F Homo sapiens CHEMBL1101518 assay format
CHEMBL1079600 OBDepict CH 3 O N H O H H N O N F H 2 N IC50 = 30.0 nM 422.46 COc1ccc(-c2cccc(C(=O)N[C@H]3CC[C@H](n4cc(F)c(N)nc4=O)C3)c2)cc1 Homo sapiens CHEMBL1101518 assay format
CHEMBL2426561 OBDepict CH 3 S N S N N F NH 2 H 2 N IC50 = 31.0 nM 375.5 CCCc1sc(-c2cccc(F)c2)nc1CSc1nc(N)cc(N)n1 Homo sapiens CHEMBL2429676 cell-based format
CHEMBL1079770 OBDepict H 3 C O O N N N O N N NH 2 F IC50 = 33.0 nM 412.43 COc1ccc(Oc2cc(N3CCC(Oc4ncc(F)c(N)n4)CC3)ncn2)cc1 Homo sapiens CHEMBL1101183 single protein format
CHEMBL1079585 OBDepict F N NH 2 N O N N N S IC50 = 34.0 nM 436.52 Nc1nc(OCC2CCN(c3cc(-c4cc5ccccc5s4)ncn3)CC2)ncc1F Homo sapiens CHEMBL1101183 single protein format
CHEMBL2426560 OBDepict H 3 C S N S N N F H 2 N NH 2 IC50 = 37.0 nM 375.5 CCCc1sc(-c2ccc(F)cc2)nc1CSc1nc(N)cc(N)n1 Homo sapiens CHEMBL2429676 cell-based format
CHEMBL1081561 OBDepict F N NH 2 N O N N N S IC50 = 38.0 nM 422.49 Nc1nc(OC2CCN(c3cc(-c4cc5ccccc5s4)ncn3)CC2)ncc1F Homo sapiens CHEMBL1101183 single protein format
CHEMBL1079783 OBDepict Cl N H O H H N O N F H 2 N IC50 = 42.0 nM 426.88 Nc1nc(=O)n([C@H]2CC[C@H](NC(=O)c3cccc(-c4ccc(Cl)cc4)c3)C2)cc1F Homo sapiens CHEMBL1101518 assay format
CHEMBL1079415 OBDepict Cl S HN O O H H N O N F NH 2 IC50 = 45.0 nM 462.93 Nc1nc(=O)n([C@H]2CC[C@H](NS(=O)(=O)c3cccc(-c4ccccc4Cl)c3)C2)cc1F Homo sapiens CHEMBL1101518 assay format
CHEMBL1079397 OBDepict N S N H O O H H N O N F H 2 N IC50 = 49.0 nM 453.5 N#Cc1ccc(-c2cccc(S(=O)(=O)N[C@H]3CC[C@H](n4cc(F)c(N)nc4=O)C3)c2)cc1 Homo sapiens CHEMBL1101518 assay format
CHEMBL1079759 OBDepict Cl S HN O O H H N O N F NH 2 IC50 = 51.0 nM 462.93 Nc1nc(=O)n([C@H]2CC[C@H](NS(=O)(=O)c3cccc(-c4ccc(Cl)cc4)c3)C2)cc1F Homo sapiens CHEMBL1101518 assay format
CHEMBL1080829 OBDepict N O N F N N O N O N NH 2 IC50 = 63.0 nM 423.41 N#Cc1ccccc1Oc1ncnc(N2CCC(On3ccc(N)nc3=O)CC2)c1F Homo sapiens CHEMBL1101183 single protein format
CHEMBL1079398 OBDepict H 2 N N F O N H H N H S O O S O O CH 3 IC50 = 63.0 nM 506.58 CS(=O)(=O)c1ccc(-c2cccc(S(=O)(=O)N[C@H]3CC[C@H](n4cc(F)c(N)nc4=O)C3)c2)cc1 Homo sapiens CHEMBL1101518 assay format
CHEMBL1082101 OBDepict CH 3 O S N H O O H H N O N F H 2 N IC50 = 64.0 nM 458.52 COc1ccc(-c2cccc(S(=O)(=O)N[C@H]3CC[C@H](n4cc(F)c(N)nc4=O)C3)c2)cc1 Homo sapiens CHEMBL1101518 assay format
CHEMBL1079760 OBDepict Cl S HN O O H H N O N F NH 2 IC50 = 79.0 nM 462.93 Nc1nc(=O)n([C@H]2CC[C@H](NS(=O)(=O)c3cccc(-c4cccc(Cl)c4)c3)C2)cc1F Homo sapiens CHEMBL1101518 assay format
CHEMBL2426460 OBDepict H 3 C S N S N N F H 2 N NH 2 IC50 = 83.0 nM 361.47 CCc1sc(-c2ccc(F)cc2)nc1CSc1nc(N)cc(N)n1 Homo sapiens CHEMBL2429676 cell-based format
CHEMBL1079399 OBDepict NH 2 O S N H O O H H N O N F H 2 N IC50 = 89.0 nM 471.51 NC(=O)c1ccc(-c2cccc(S(=O)(=O)N[C@H]3CC[C@H](n4cc(F)c(N)nc4=O)C3)c2)cc1 Homo sapiens CHEMBL1101518 assay format
CHEMBL2426591 OBDepict F S N H 3 C S N N H 2 N NH 2 IC50 = 92.0 nM 347.44 Cc1sc(-c2cccc(F)c2)nc1CSc1nc(N)cc(N)n1 Homo sapiens CHEMBL2429676 cell-based format
CHEMBL3358090 OBDepict H 3 C O O N S N H S H 3 C O O CH 3 S CH 3 H N N NH 2 NH 2 IC50 = 94.0 nM 510.67 COc1ccc(-c2nc([C@H](C)Sc3nc(N)cc(N)n3)c(C)s2)cc1OCCNS(C)(=O)=O Homo sapiens CHEMBL3381706 cell-based format
CHEMBL1079769 OBDepict F N NH 2 N O N N N O IC50 = 95.0 nM 382.4 Nc1nc(OC2CCN(c3cc(Oc4ccccc4)ncn3)CC2)ncc1F Homo sapiens CHEMBL1101183 single protein format
CHEMBL1081189 OBDepict CH 3 S N H O O H H N O N F H 2 N IC50 = 110.0 nM 442.52 Cc1ccc(-c2cccc(S(=O)(=O)N[C@H]3CC[C@H](n4cc(F)c(N)nc4=O)C3)c2)cc1 Homo sapiens CHEMBL1101518 assay format
CHEMBL1081006 OBDepict NH 2 N F O N H H HN S O O IC50 = 120.0 nM 428.49 Nc1nc(=O)n([C@H]2CC[C@H](NS(=O)(=O)c3cccc(-c4ccccc4)c3)C2)cc1F Homo sapiens CHEMBL1101518 assay format
CHEMBL2426589 OBDepict F F N S H 3 C S N N H 2 N NH 2 IC50 = 150.0 nM 365.43 Cc1sc(-c2cc(F)cc(F)c2)nc1CSc1nc(N)cc(N)n1 Homo sapiens CHEMBL2429676 cell-based format
CHEMBL2426459 OBDepict CH 3 S N S N N F F NH 2 H 2 N IC50 = 162.0 nM 379.46 CCc1sc(-c2cc(F)cc(F)c2)nc1CSc1nc(N)cc(N)n1 Homo sapiens CHEMBL2429676 cell-based format
CHEMBL2426559 OBDepict H 3 C S N S N N F F H 2 N NH 2 IC50 = 173.0 nM 393.49 CCCc1sc(-c2cc(F)cc(F)c2)nc1CSc1nc(N)cc(N)n1 Homo sapiens CHEMBL2429676 cell-based format
CHEMBL2426585 OBDepict F O O CH 3 S N S N N NH 2 H 2 N IC50 = 197.0 nM 421.52 COc1ccc(-c2nc(CSc3nc(N)cc(N)n3)cs2)cc1OCCCF Homo sapiens CHEMBL2429676 cell-based format
CHEMBL2426582 OBDepict F O O CH 3 S N S N N NH 2 H 2 N IC50 = 230.0 nM 407.5 COc1ccc(-c2nc(CSc3nc(N)cc(N)n3)cs2)cc1OCCF Homo sapiens CHEMBL2429676 cell-based format
CHEMBL2426590 OBDepict F N S H 3 C S N N H 2 N NH 2 IC50 = 230.0 nM 347.44 Cc1sc(-c2ccc(F)cc2)nc1CSc1nc(N)cc(N)n1 Homo sapiens CHEMBL2429676 cell-based format
CHEMBL2426583 OBDepict F O O S N CH 3 S N N NH 2 H 2 N IC50 = 251.0 nM 421.52 CCOc1ccc(-c2nc(CSc3nc(N)cc(N)n3)cs2)cc1OCCF Homo sapiens CHEMBL2429676 cell-based format
CHEMBL1079433 OBDepict O N H H H N O N F H 2 N IC50 = 260.0 nM 392.43 Nc1nc(=O)n([C@H]2CC[C@H](NC(=O)c3cccc(-c4ccccc4)c3)C2)cc1F Homo sapiens CHEMBL1101518 assay format
CHEMBL2426596 OBDepict F O O CH 3 S N S N N NH 2 N H 2 N IC50 = 297.0 nM 422.51 COc1ccc(-c2nc(CSc3nc(N)nc(N)n3)cs2)cc1OCCCF Homo sapiens CHEMBL2429676 cell-based format
CHEMBL1081909 OBDepict NH 2 N F O N H H HN S O O IC50 = 350.0 nM 428.49 Nc1nc(=O)n([C@H]2CC[C@H](NS(=O)(=O)c3ccc(-c4ccccc4)cc3)C2)cc1F Homo sapiens CHEMBL1101518 assay format
CHEMBL3358092 OBDepict H 3 C S N S N O O H 2 N N NH 2 CH 3 OH CH 3 H 3 C IC50 = 395.0 nM 475.64 CCCc1sc(-c2ccc(OC)c(OCC(C)(C)O)c2)nc1CSc1cc(N)nc(N)n1 Homo sapiens CHEMBL3381706 cell-based format
CHEMBL2426581 OBDepict F O O CH 3 S N S N N NH 2 H 2 N IC50 = 421.0 nM 407.5 COc1cc(-c2nc(CSc3nc(N)cc(N)n3)cs2)ccc1OCCF Homo sapiens CHEMBL2429676 cell-based format
CHEMBL3358095 OBDepict CH 3 O O O O O CH 3 S N H 3 C S CH 3 H N N NH 2 H 2 N IC50 = 429.5 nM 549.72 CCOc1cc(-c2nc([C@H](C)Sc3nc(N)cc(N)n3)c(C)s2)ccc1OCCOCCOCCOC Homo sapiens CHEMBL3381706 cell-based format
CHEMBL2426593 OBDepict F O O CH 3 S N S N N NH 2 N H 2 N IC50 = 506.0 nM 408.48 COc1ccc(-c2nc(CSc3nc(N)nc(N)n3)cs2)cc1OCCF Homo sapiens CHEMBL2429676 cell-based format
CHEMBL1081559 OBDepict O N N N N N S IC50 = 510.0 nM 407.54 O=C(CN1CCN(c2cc(-c3cc4ccccc4s3)ncn2)CC1)N1CCCC1 Homo sapiens CHEMBL1101518 assay format
CHEMBL2426594 OBDepict F O O S N CH 3 S N N NH 2 N H 2 N IC50 = 512.0 nM 422.51 CCOc1ccc(-c2nc(CSc3nc(N)nc(N)n3)cs2)cc1OCCF Homo sapiens CHEMBL2429676 cell-based format
CHEMBL2426592 OBDepict F O O CH 3 S N S N N NH 2 N H 2 N IC50 = 534.0 nM 408.48 COc1cc(-c2nc(CSc3nc(N)nc(N)n3)cs2)ccc1OCCF Homo sapiens CHEMBL2429676 cell-based format
CHEMBL1081560 OBDepict F N NH 2 N O N N S IC50 = 720.0 nM 339.36 Nc1nc(Oc2cc(-c3cc4ccccc4s3)ncn2)ncc1F Homo sapiens CHEMBL1101183 single protein format
CHEMBL2426597 OBDepict F O O S N CH 3 S N N NH 2 N H 2 N IC50 = 849.0 nM 408.48 COc1ccc(OCCF)cc1-c1nc(CSc2nc(N)nc(N)n2)cs1 Homo sapiens CHEMBL2429676 cell-based format