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O95271 | TNKS1_HUMAN | Poly [ADP-ribose] polymerase tankyrase-1 (TNKS)

3D structures mapped by conservation among orthologs

[ Domain: "SAM domain-like" // SAM_1 ]

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[ Domain: "Ankyrin repeat" // Ank_2 ]

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[ Domain: "ADP-ribosylation" // PARP ]

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[ Domain: pdbs with more than 2 multi-domains ]

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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
CHEMBL3110100 OBDepict N O H H N H O S N N H O IC50 = 0.1 nM 448.55 N#Cc1ccc(O[C@H]2CC[C@H](NC(=O)CCSc3nc4ccccc4c(=O)[nH]3)CC2)cc1 Homo sapiens CHEMBL3111843 single protein format
CHEMBL3110122 OBDepict O NH H S N N H O H O Cl IC50 = 0.1 nM 457.98 O=C(CCSc1nc2ccccc2c(=O)[nH]1)N[C@H]1CC[C@H](Oc2ccc(Cl)cc2)CC1 Homo sapiens CHEMBL3111843 single protein format
CHEMBL3110117 OBDepict O N H H S N N H H N O O N IC50 = 0.1 nM 475.57 O=C(CCSc1nc2ccccc2c(=O)[nH]1)N[C@H]1CC[C@H](c2nnc(-c3ccccc3)o2)CC1 Homo sapiens CHEMBL3111843 single protein format
CHEMBL3805896 OBDepict H 3 C O O N O N N H O H 3 C IC50 = 0.18 nM 435.52 COc1ccc(C(=O)C2CCN(C(=O)CCCc3cn4c(C)ccc4c(=O)[nH]3)CC2)cc1 Homo sapiens CHEMBL3807233 single protein format
CHEMBL3110121 OBDepict O NH H S N N H O H O F IC50 = 0.2 nM 441.53 O=C(CCSc1nc2ccccc2c(=O)[nH]1)N[C@H]1CC[C@H](Oc2ccc(F)cc2)CC1 Homo sapiens CHEMBL3111843 single protein format
CHEMBL3806163 OBDepict H 3 C O O N O N N H O F IC50 = 0.2 nM 439.49 COc1ccc(C(=O)C2CCN(C(=O)CCCc3cn4cc(F)cc4c(=O)[nH]3)CC2)cc1 Homo sapiens CHEMBL3807233 single protein format
CHEMBL3110106 OBDepict N Cl O H H N H O S N N H O IC50 = 0.2 nM 482.99 N#Cc1ccc(O[C@H]2CC[C@H](NC(=O)CCSc3nc4ccccc4c(=O)[nH]3)CC2)cc1Cl Homo sapiens CHEMBL3111843 single protein format
CHEMBL3110104 OBDepict N O H H N H O S N N H O IC50 = 0.2 nM 448.55 N#Cc1cccc(O[C@H]2CC[C@H](NC(=O)CCSc3nc4ccccc4c(=O)[nH]3)CC2)c1 Homo sapiens CHEMBL3111843 single protein format
CHEMBL3110103 OBDepict O NH H S N N H O H O Cl IC50 = 0.2 nM 457.98 O=C(CCSc1nc2ccccc2c(=O)[nH]1)N[C@H]1CC[C@H](Oc2cccc(Cl)c2)CC1 Homo sapiens CHEMBL3111843 single protein format
CHEMBL3110102 OBDepict O NH H S N N H O H O N IC50 = 0.2 nM 424.53 O=C(CCSc1nc2ccccc2c(=O)[nH]1)N[C@H]1CC[C@H](Oc2ccccn2)CC1 Homo sapiens CHEMBL3111843 single protein format
CHEMBL3110101 OBDepict O NH H S N N H O H O N IC50 = 0.2 nM 424.53 O=C(CCSc1nc2ccccc2c(=O)[nH]1)N[C@H]1CC[C@H](Oc2ccncc2)CC1 Homo sapiens CHEMBL3111843 single protein format
CHEMBL3110119 OBDepict O N H H S N N H H N O O N IC50 = 0.2 nM 479.61 O=C(CCSc1nc2c(c(=O)[nH]1)CCCC2)N[C@H]1CC[C@H](c2nnc(-c3ccccc3)o2)CC1 Homo sapiens CHEMBL3111843 single protein format
CHEMBL3805393 OBDepict H 3 C O N O N O N N H O F IC50 = 0.24 nM 440.48 COc1ccc(C(=O)C2CCN(C(=O)CCCc3cn4cc(F)cc4c(=O)[nH]3)CC2)cn1 Homo sapiens CHEMBL3807233 single protein format
CHEMBL4645574 OBDepict H 3 C O N N O H 3 C O N H 3 C O HO IC50 = 0.26 nM 463.53 CCN(C(=O)N1CCC(C(=O)c2ccc3c(c2)cc(C(=O)O)n3C)CC1)c1ccc(OC)cc1 Homo sapiens CHEMBL4627147 single protein format
CHEMBL4634919 OBDepict CH 3 N N O O HO O N CH 3 N IC50 = 0.27 nM 434.5 CCN(C(=O)N1CCC(C(=O)c2ccc3cnn(C)c3c2)CC1)c1ccc(C(=O)O)cc1 Homo sapiens CHEMBL4627147 single protein format
CHEMBL3110105 OBDepict N Cl O H H N H O S N N H O IC50 = 0.3 nM 482.99 N#Cc1cc(O[C@H]2CC[C@H](NC(=O)CCSc3nc4ccccc4c(=O)[nH]3)CC2)ccc1Cl Homo sapiens CHEMBL3111843 single protein format
CHEMBL3917693 OBDepict O O N H 3 C H 3 C H H H N N N H N N O IC50 = 0.316 nM 484.56 CC1(C)OC(=O)N([C@H]2CC[C@H](c3cnc4[nH]c(=O)n(-c5ncccn5)c4c3)CC2)[C@H]1c1ccccc1 Homo sapiens CHEMBL3888461 single protein format
CHEMBL4640008 OBDepict H 3 C O N N O CH 3 O N H 3 C O OH IC50 = 0.36 nM 463.53 CCN(C(=O)N1CCC(C(=O)c2ccc3cc(C(=O)O)n(C)c3c2)CC1)c1ccc(OC)cc1 Homo sapiens CHEMBL4627147 single protein format
CHEMBL4115425 OBDepict N N N H O H H N O O H H CH 3 IC50 = 0.375 nM 416.48 C[C@H]1OC(=O)N([C@H]2CC[C@H](n3c(=O)[nH]c4cc(C#N)ccc43)CC2)[C@H]1c1ccccc1 Homo sapiens CHEMBL3888461 single protein format
CHEMBL3804939 OBDepict CH 3 O H 3 C O N O N N H O CH 3 S IC50 = 0.4 nM 467.59 COc1ccc(C(=O)C2CCN(C(=O)CCCc3nc4c(C)scc4c(=O)[nH]3)CC2)cc1C Homo sapiens CHEMBL3807233 single protein format
CHEMBL4643690 OBDepict CH 3 N N O O HO O N N CH 3 IC50 = 0.41 nM 434.5 CCN(C(=O)N1CCC(C(=O)c2ccc3ncn(C)c3c2)CC1)c1ccc(C(=O)O)cc1 Homo sapiens CHEMBL4627147 single protein format
CHEMBL4639702 OBDepict CH 3 N N O O OH O N N H 3 C IC50 = 0.5 nM 434.5 CCN(C(=O)N1CCC(C(=O)c2ccc3c(cnn3C)c2)CC1)c1ccc(C(=O)O)cc1 Homo sapiens CHEMBL4627147 single protein format
CHEMBL4632401 OBDepict H 3 C O N N O H 3 C O N CH 3 N O HO IC50 = 0.52 nM 464.52 CCN(C(=O)N1CCC(C(=O)c2ccc3c(C(=O)O)nn(C)c3c2)CC1)c1ccc(OC)cc1 Homo sapiens CHEMBL4627147 single protein format
CHEMBL4458129 OBDepict F CH 3 N O N H HO H 3 C CH 3 IC50 = 0.8 nM 312.34 Cc1cc(F)cc2c(=O)[nH]c(-c3ccc(C(C)(C)O)cc3)nc12 Homo sapiens CHEMBL4322251 cell-based format
CHEMBL3806049 OBDepict O N N N O H N O N N CH 3 CH 3 CH 3 IC50 = 0.81 nM 438.53 CC(C)n1cc(C(=O)C2CCN(C(=O)CCCc3nc4c(ccn4C)c(=O)[nH]3)CC2)cn1 Homo sapiens CHEMBL3807233 single protein format
CHEMBL2381946 OBDepict N F N N H O H H N O O H H 3 C H 3 C IC50 = 1.0 nM 448.5 CC1(C)OC(=O)N([C@H]2CC[C@H](n3c(=O)[nH]c4c(F)c(C#N)ccc43)CC2)[C@H]1c1ccccc1 Homo sapiens CHEMBL2384487 single protein format
CHEMBL3110118 OBDepict O NH H S H N N N O H N O IC50 = 1.0 nM 489.6 O=C(CCCSc1nc2ccccc2c(=O)[nH]1)N[C@H]1CC[C@H](c2nnc(-c3ccccc3)o2)CC1 Homo sapiens CHEMBL3111843 single protein format
CHEMBL2381942 OBDepict N N N H O H H N O O H CH 3 CH 3 IC50 = 1.0 nM 430.51 CC1(C)OC(=O)N([C@H]2CC[C@H](n3c(=O)[nH]c4cc(C#N)ccc43)CC2)[C@H]1c1ccccc1 Homo sapiens CHEMBL2384487 single protein format
CHEMBL3912956 OBDepict O O N H 3 C H 3 C H H H N N N N IC50 = 1.01 nM 467.57 CC1(C)OC(=O)N([C@H]2CC[C@@H](c3cnc4ccn(-c5ncccn5)c4c3)CC2)[C@H]1c1ccccc1 Homo sapiens CHEMBL3888461 single protein format
CHEMBL3589282 OBDepict CH 3 O N H N O CH 3 IC50 = 1.1 nM 270.33 COc1ccc(-c2cc3c(c(=O)[nH]2)CCCN3C)cc1 Homo sapiens CHEMBL3591899 single protein format
CHEMBL4588170 OBDepict CH 3 N N O H OH CH 3 CH 3 IC50 = 1.2 nM 294.35 Cc1cccc2c(=O)[nH]c(-c3ccc(C(C)(C)O)cc3)nc12 Homo sapiens CHEMBL4322251 cell-based format
CHEMBL4567515 OBDepict F CH 3 N O N H HN ClH IC50 = 1.3 nM 373.86 Cc1cc(F)cc2c(=O)[nH]c(-c3ccc(C4CCNCC4)cc3)nc12.Cl Homo sapiens CHEMBL4322251 cell-based format
CHEMBL3927399 OBDepict Br N N N H O H H N O O H H 3 C H 3 C IC50 = 1.48 nM 485.38 CC1(C)OC(=O)N([C@H]2CC[C@H](n3c(=O)[nH]c4cc(Br)cnc43)CC2)[C@H]1c1ccccc1 Homo sapiens CHEMBL3888461 single protein format
CHEMBL4584689 OBDepict H 3 C N N N N H O CH 3 F IC50 = 1.5 nM 352.41 Cc1cc(F)cc2c(=O)[nH]c(-c3ccc(N4CCN(C)CC4)cc3)nc12 Homo sapiens CHEMBL4322251 cell-based format
CHEMBL3589283 OBDepict CH 3 N N O H F F F IC50 = 1.5 nM 308.3 CN1CCCc2c1cc(-c1ccc(C(F)(F)F)cc1)[nH]c2=O Homo sapiens CHEMBL3591899 single protein format
CHEMBL4551200 OBDepict HO O H 3 C H 3 C N N H O CH 3 F IC50 = 1.6 nM 356.4 Cc1cc(F)cc2c(=O)[nH]c(-c3ccc(C(C)(C)OCCO)cc3)nc12 Homo sapiens CHEMBL4322251 cell-based format
CHEMBL4794878 OBDepict N N F F F O N O H H NH O N IC50 = 2.0 nM 561.56 N#Cc1c(Cn2c(=O)n(C[C@H]3CC[C@H](C(=O)Nc4ccncc4)CC3)c(=O)c3ccccc32)cccc1C(F)(F)F Homo sapiens CHEMBL4715531 single protein format
CHEMBL3099716 OBDepict O O N CH 3 CH 3 H H H N H 2 N N N IC50 = 2.0 nM 443.55 CC1(C)OC(=O)N([C@H]2CC[C@H](c3cnc(N)c(-c4ncccn4)c3)CC2)[C@H]1c1ccccc1 Homo sapiens CHEMBL3102008 single protein format
CHEMBL4786379 OBDepict N Cl N O N CH 3 O H H N H O N IC50 = 2.0 nM 542.04 Cc1cccc2c1c(=O)n(C[C@H]1CC[C@H](C(=O)Nc3ccncc3)CC1)c(=O)n2Cc1cccc(Cl)c1C#N Homo sapiens CHEMBL4715531 single protein format
CHEMBL4747523 OBDepict N CH 3 N O N H 3 C O H H N H O N IC50 = 2.0 nM 521.62 Cc1cccc(Cn2c(=O)n(C[C@H]3CC[C@H](C(=O)Nc4ccncc4)CC3)c(=O)c3c(C)cccc32)c1C#N Homo sapiens CHEMBL4715531 single protein format
CHEMBL3110116 OBDepict O N H H N N H H N O O N IC50 = 2.0 nM 457.53 O=C(CCCc1nc2ccccc2c(=O)[nH]1)N[C@H]1CC[C@H](c2nnc(-c3ccccc3)o2)CC1 Homo sapiens CHEMBL3111843 single protein format
CHEMBL4450725 OBDepict H 3 C N N N H O CH 3 F IC50 = 2.2 nM 351.43 Cc1cc(F)cc2c(=O)[nH]c(-c3ccc(C4CCN(C)CC4)cc3)nc12 Homo sapiens CHEMBL4322251 cell-based format
CHEMBL4452246 OBDepict CH 3 O N N N N H O S IC50 = 2.5 nM 358.47 COc1ccccc1N1CCN(c2nc3c(c(=O)[nH]2)CSCC3)CC1 Homo sapiens CHEMBL4388122 assay format
CHEMBL4757303 OBDepict N N F F F O N CH 3 O H H N H O N N IC50 = 2.5 nM 576.58 Cc1cccc2c1c(=O)n(C[C@H]1CC[C@H](C(=O)Nc3ccnnc3)CC1)c(=O)n2Cc1cccc(C(F)(F)F)c1C#N Homo sapiens CHEMBL4715531 single protein format
CHEMBL4759993 OBDepict N N F F F O N CH 3 O H H HN O N N H 3 C IC50 = 2.5 nM 578.6 Cc1cccc2c1c(=O)n(C[C@H]1CC[C@H](C(=O)Nc3cnn(C)c3)CC1)c(=O)n2Cc1cccc(C(F)(F)F)c1C#N Homo sapiens CHEMBL4715531 single protein format
CHEMBL3899350 OBDepict F H N CH 3 CH 3 O O H H N O N H N IC50 = 2.95 nM 424.48 CC1(C)OC(=O)N([C@H]2CC[C@H](n3c(=O)[nH]c4cnccc43)CC2)[C@H]1c1ccc(F)cc1 Homo sapiens CHEMBL3888461 single protein format
CHEMBL2381939 OBDepict O O N H 3 C H 3 C H H H N O N H N IC50 = 3.0 nM 406.49 CC1(C)OC(=O)N([C@H]2CC[C@H](n3c(=O)[nH]c4cnccc43)CC2)[C@H]1c1ccccc1 Homo sapiens CHEMBL2384487 single protein format
CHEMBL3963667 OBDepict N N N H O H H N O O CH 3 IC50 = 3.0 nM 416.48 C[C@@]1(c2ccccc2)CN([C@H]2CC[C@@H](n3c(=O)[nH]c4cc(C#N)ccc43)CC2)C(=O)O1 Homo sapiens CHEMBL3888461 single protein format
CHEMBL2381945 OBDepict N F N N H O H H N O O H CH 3 CH 3 IC50 = 3.0 nM 448.5 CC1(C)OC(=O)N([C@H]2CC[C@H](n3c(=O)[nH]c4cc(C#N)c(F)cc43)CC2)[C@H]1c1ccccc1 Homo sapiens CHEMBL2384487 single protein format
CHEMBL4754447 OBDepict N N F F F O N Cl O H H HN O N IC50 = 3.2 nM 596.01 N#Cc1c(Cn2c(=O)n(C[C@H]3CC[C@H](C(=O)Nc4ccncc4)CC3)c(=O)c3c(Cl)cccc32)cccc1C(F)(F)F Homo sapiens CHEMBL4715531 single protein format
CHEMBL4758600 OBDepict N N O N CH 3 O H H N H O N IC50 = 3.2 nM 507.59 Cc1cccc2c1c(=O)n(C[C@H]1CC[C@H](C(=O)Nc3ccncc3)CC1)c(=O)n2Cc1ccccc1C#N Homo sapiens CHEMBL4715531 single protein format
CHEMBL4788947 OBDepict N N F F F O N CH 3 O F H H N H O N IC50 = 3.2 nM 593.58 Cc1c(F)ccc2c1c(=O)n(C[C@H]1CC[C@H](C(=O)Nc3ccncc3)CC1)c(=O)n2Cc1cccc(C(F)(F)F)c1C#N Homo sapiens CHEMBL4715531 single protein format
CHEMBL4759701 OBDepict N N F F F O N CH 3 O H H N H O N IC50 = 3.2 nM 575.59 Cc1cccc2c1c(=O)n(C[C@H]1CC[C@H](C(=O)Nc3ccncc3)CC1)c(=O)n2Cc1cccc(C(F)(F)F)c1C#N Homo sapiens CHEMBL4715531 single protein format
CHEMBL4586580 OBDepict F N O N H CH 3 H 3 C CH 3 IC50 = 3.3 nM 296.35 CC(C)(C)c1ccc(-c2nc3ccc(F)cc3c(=O)[nH]2)cc1 Homo sapiens CHEMBL4322251 cell-based format
CHEMBL4453770 OBDepict CH 3 O N N N N H O S IC50 = 3.4 nM 358.47 COc1ccc(N2CCN(c3nc4c(c(=O)[nH]3)CSCC4)CC2)cc1 Homo sapiens CHEMBL4388122 assay format
CHEMBL3936768 OBDepict N N N H O H H N O O H CH 3 CH 3 F IC50 = 3.42 nM 448.5 CC1(C)OC(=O)N([C@H]2CC[C@H](n3c(=O)[nH]c4cc(C#N)ccc43)CC2)[C@H]1c1ccc(F)cc1 Homo sapiens CHEMBL3888461 single protein format
CHEMBL4463639 OBDepict OH O F N CH 3 O N N N H N O CH 3 IC50 = 3.5 nM 457.51 CN1CCCc2c1nc(N1CCC3(CC1)C(=O)N(C)c1cc(OCCO)cc(F)c13)[nH]c2=O Homo sapiens CHEMBL4345394 assay format
CHEMBL4532667 OBDepict N N O F F N N N H N O CH 3 IC50 = 3.7 nM 440.45 CN1CCCc2c1nc(N1CCC3(CC1)C(=O)N(CC#N)c1cc(F)cc(F)c13)[nH]c2=O Homo sapiens CHEMBL4345394 assay format
CHEMBL4441063 OBDepict OH N F F N N N H N O H 3 C IC50 = 3.8 nM 415.44 Cn1ccc2c(=O)[nH]c(N3CCC4(CC3)CN(CCO)c3cc(F)cc(F)c34)nc21 Homo sapiens CHEMBL4345394 assay format
CHEMBL3962475 OBDepict O N H N S H N N H N O O H CH 3 CH 3 IC50 = 3.94 nM 477.59 CC1(C)OC(=O)N([C@H]2CC[C@H](NC(=O)c3csc(-c4ncccn4)n3)CC2)[C@H]1c1ccccc1 Homo sapiens CHEMBL3888461 single protein format
CHEMBL2381937 OBDepict O O N H 3 C H 3 C H H H N O N N H IC50 = 4.0 nM 406.49 CC1(C)OC(=O)N([C@H]2CC[C@H](n3c(=O)[nH]c4cccnc43)CC2)[C@H]1c1ccccc1 Homo sapiens CHEMBL2384487 single protein format
CHEMBL2381943 OBDepict N N H N O H H N O O H CH 3 CH 3 IC50 = 4.0 nM 430.51 CC1(C)OC(=O)N([C@H]2CC[C@H](n3c(=O)[nH]c4c(C#N)cccc43)CC2)[C@H]1c1ccccc1 Homo sapiens CHEMBL2384487 single protein format
CHEMBL4799048 OBDepict N N F F F O N F O H H HN O N IC50 = 4.0 nM 579.55 N#Cc1c(Cn2c(=O)n(C[C@H]3CC[C@H](C(=O)Nc4ccncc4)CC3)c(=O)c3c(F)cccc32)cccc1C(F)(F)F Homo sapiens CHEMBL4715531 single protein format
CHEMBL2381938 OBDepict O O N H 3 C H 3 C H H H N O N N H IC50 = 4.0 nM 406.49 CC1(C)OC(=O)N([C@H]2CC[C@H](n3c(=O)[nH]c4ccncc43)CC2)[C@H]1c1ccccc1 Homo sapiens CHEMBL2384487 single protein format
CHEMBL4798387 OBDepict N N F F F O N O O H 3 C H H N H O N IC50 = 4.0 nM 591.59 COc1cccc2c1c(=O)n(C[C@H]1CC[C@H](C(=O)Nc3ccncc3)CC1)c(=O)n2Cc1cccc(C(F)(F)F)c1C#N Homo sapiens CHEMBL4715531 single protein format
CHEMBL4791639 OBDepict N N O N O H H NH O N IC50 = 4.0 nM 493.57 N#Cc1ccccc1Cn1c(=O)n(C[C@H]2CC[C@H](C(=O)Nc3ccncc3)CC2)c(=O)c2ccccc21 Homo sapiens CHEMBL4715531 single protein format
CHEMBL4761298 OBDepict N N F F F O N O CH 3 H H O HO IC50 = 4.0 nM 499.49 Cc1cccc2c1c(=O)n(C[C@H]1CC[C@H](C(=O)O)CC1)c(=O)n2Cc1cccc(C(F)(F)F)c1C#N Homo sapiens CHEMBL4715531 single protein format
CHEMBL2381935 OBDepict O O N CH 3 CH 3 H H H N H O N N IC50 = 4.0 nM 444.54 CC1(C)OC(=O)N([C@H]2CC[C@H](NC(=O)c3ccnc4cccnc34)CC2)[C@H]1c1ccccc1 Homo sapiens CHEMBL2384487 single protein format
CHEMBL2381936 OBDepict F N N N H O H H N O O H CH 3 CH 3 IC50 = 4.0 nM 462.53 CC1(C)OC(=O)N([C@H]2CC[C@H](NC(=O)c3ccnc4cc(F)cnc34)CC2)[C@H]1c1ccccc1 Homo sapiens CHEMBL2384487 single protein format
CHEMBL4763370 OBDepict N N F F F O N CH 3 O H H N H O N CH 3 IC50 = 4.0 nM 589.62 Cc1ccc(NC(=O)[C@H]2CC[C@H](Cn3c(=O)c4c(C)cccc4n(Cc4cccc(C(F)(F)F)c4C#N)c3=O)CC2)cn1 Homo sapiens CHEMBL4715531 single protein format
CHEMBL4466181 OBDepict OH O O F N CH 3 O N N N H N O CH 3 IC50 = 4.2 nM 471.49 CN1CCCc2c1nc(N1CCC3(CC1)C(=O)N(C)c1cc(OCC(=O)O)cc(F)c13)[nH]c2=O Homo sapiens CHEMBL4345394 assay format
CHEMBL4442053 OBDepict F F N S O O O CH 3 N N N H N O H 3 C IC50 = 4.3 nM 493.54 CN1CCCc2c1nc(N1CCC3(CC1)C(=O)N(CS(C)(=O)=O)c1cc(F)cc(F)c13)[nH]c2=O Homo sapiens CHEMBL4345394 assay format
CHEMBL4470218 OBDepict CH 3 O F N CH 3 O N N N H N O CH 3 IC50 = 4.4 nM 427.48 COc1cc(F)c2c(c1)N(C)C(=O)C21CCN(c2nc3c(c(=O)[nH]2)CCCN3C)CC1 Homo sapiens CHEMBL4345394 assay format
CHEMBL4483558 OBDepict OH N O Cl N N N H O IC50 = 4.4 nM 428.92 O=C1N(CCO)c2cccc(Cl)c2C12CCN(c1nc3c(c(=O)[nH]1)CCCC3)CC2 Homo sapiens CHEMBL4388122 assay format
CHEMBL4454164 OBDepict F N H N N N H O IC50 = 4.4 nM 354.43 O=c1[nH]c(N2CCC3(CC2)CNc2cccc(F)c23)nc2c1CCCC2 Homo sapiens CHEMBL4388122 assay format
CHEMBL4460022 OBDepict HO N O F F N N N H N O CH 3 IC50 = 4.5 nM 429.43 Cn1ccc2c(=O)[nH]c(N3CCC4(CC3)C(=O)N(CCO)c3cc(F)cc(F)c34)nc21 Homo sapiens CHEMBL4345394 assay format
CHEMBL4572668 OBDepict H 3 C O O F N CH 3 O N N N H N O CH 3 IC50 = 4.8 nM 471.53 COCCOc1cc(F)c2c(c1)N(C)C(=O)C21CCN(c2nc3c(c(=O)[nH]2)CCCN3C)CC1 Homo sapiens CHEMBL4345394 assay format
CHEMBL4457037 OBDepict H 3 C N CH 3 O F N CH 3 O N N N H N O CH 3 IC50 = 4.9 nM 484.58 CN(C)CCOc1cc(F)c2c(c1)N(C)C(=O)C21CCN(c2nc3c(c(=O)[nH]2)CCCN3C)CC1 Homo sapiens CHEMBL4345394 assay format
CHEMBL3915681 OBDepict N N N H O H H N O O CH 3 IC50 = 4.9 nM 416.48 CC1(c2ccccc2)CN([C@H]2CC[C@@H](n3c(=O)[nH]c4cc(C#N)ccc43)CC2)C(=O)O1 Homo sapiens CHEMBL3888461 single protein format
CHEMBL4290134 OBDepict H N N O CH 3 CH 3 CH 3 IC50 = 5.0 nM 278.36 CC(C)(C)c1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1 Homo sapiens CHEMBL4271451 single protein format
CHEMBL2381941 OBDepict O O N H 3 C H 3 C H H H N N O N H N IC50 = 5.0 nM 407.47 CC1(C)OC(=O)N([C@H]2CC[C@H](n3c(=O)[nH]c4cncnc43)CC2)[C@H]1c1ccccc1 Homo sapiens CHEMBL2384487 single protein format
CHEMBL4069447 OBDepict O N H N N H O N H O CH 3 N IC50 = 5.1 nM 477.52 Cc1cccc2c(=O)[nH]c(CCC(=O)Nc3ccc(C(=O)Nc4cccc5cccnc45)cc3)nc12 Homo sapiens CHEMBL4003521 cell-based format
CHEMBL3902790 OBDepict O O N CH 3 CH 3 H N N H IC50 = 5.17 nM 389.5 CC1(C)OC(=O)N(C2CCC(c3cnc4[nH]ccc4c3)CC2)[C@H]1c1ccccc1 Homo sapiens CHEMBL3888461 single protein format
CHEMBL3912818 OBDepict O N H N S H H N O O H CH 3 CH 3 IC50 = 5.18 nM 475.61 CC1(C)OC(=O)N([C@H]2CC[C@H](NC(=O)c3csc(-c4ccccc4)n3)CC2)[C@H]1c1ccccc1 Homo sapiens CHEMBL3888461 single protein format
CHEMBL4469038 OBDepict Cl Cl N H O N N N H O IC50 = 5.3 nM 419.31 O=C1Nc2cc(Cl)cc(Cl)c2C12CCN(c1nc3c(c(=O)[nH]1)CCCC3)CC2 Homo sapiens CHEMBL4388122 assay format
CHEMBL4585076 OBDepict OH N O F F N N N H O CH 3 IC50 = 5.3 nM 440.45 Cc1cccc2c(=O)[nH]c(N3CCC4(CC3)C(=O)N(CCO)c3cc(F)cc(F)c34)nc12 Homo sapiens CHEMBL4345394 assay format
CHEMBL3968203 OBDepict Cl N N H O H H N O O H H 3 C H 3 C IC50 = 5.33 nM 439.94 CC1(C)OC(=O)N([C@H]2CC[C@H](n3c(=O)[nH]c4cc(Cl)ccc43)CC2)[C@H]1c1ccccc1 Homo sapiens CHEMBL3888461 single protein format
CHEMBL4533577 OBDepict F F N H N N N H O IC50 = 5.4 nM 372.42 O=c1[nH]c(N2CCC3(CC2)CNc2cc(F)cc(F)c23)nc2c1CCCC2 Homo sapiens CHEMBL4388122 assay format
CHEMBL4566625 OBDepict HO N F F N N N H O H 3 C IC50 = 5.5 nM 426.47 Cc1cccc2c(=O)[nH]c(N3CCC4(CC3)CN(CCO)c3cc(F)cc(F)c34)nc12 Homo sapiens CHEMBL4345394 assay format
CHEMBL4572625 OBDepict Br N H O N N N H O IC50 = 5.8 nM 429.32 O=C1Nc2cccc(Br)c2C12CCN(c1nc3c(c(=O)[nH]1)CCCC3)CC2 Homo sapiens CHEMBL4388122 assay format
CHEMBL4449621 OBDepict F N H O N N N H O IC50 = 5.8 nM 368.41 O=C1Nc2cccc(F)c2C12CCN(c1nc3c(c(=O)[nH]1)CCCC3)CC2 Homo sapiens CHEMBL4388122 assay format
CHEMBL3918110 OBDepict CH 3 O H 3 C O N H O N N N H O O IC50 = 6.0 nM 480.57 COc1ccc(C(=O)C2CCN([C@H]3CCN(Cc4nc5c(c(=O)[nH]4)COCC5)C3=O)CC2)cc1C Homo sapiens CHEMBL3887106 single protein format
CHEMBL2431867 OBDepict CH 3 CH 3 O O IC50 = 6.0 nM 264.32 CC(C)c1ccc(-c2cc(=O)c3ccccc3o2)cc1 Homo sapiens CHEMBL2433652 single protein format
CHEMBL3589285 OBDepict Br N H N O CH 3 IC50 = 6.1 nM 319.2 CN1CCCc2c1cc(-c1ccc(Br)cc1)[nH]c2=O Homo sapiens CHEMBL3591899 single protein format
CHEMBL4553990 OBDepict CH 3 N O F N CH 3 O N N N H N O CH 3 IC50 = 6.1 nM 510.61 CN1CCC(Oc2cc(F)c3c(c2)N(C)C(=O)C32CCN(c3nc4c(c(=O)[nH]3)CCCN4C)CC2)CC1 Homo sapiens CHEMBL4345394 assay format
CHEMBL4638701 OBDepict H N S N O N N S N N H O IC50 = 6.1 nM 494.65 O=c1[nH]c(SCCN2CCN(CCSc3nc4ccccc4c(=O)[nH]3)CC2)nc2ccccc12 Homo sapiens CHEMBL4616006 single protein format
CHEMBL4538780 OBDepict CH 3 O N N N N H O S IC50 = 6.2 nM 358.47 COc1cccc(N2CCN(c3nc4c(c(=O)[nH]3)CSCC4)CC2)c1 Homo sapiens CHEMBL4388122 assay format
CHEMBL4529965 OBDepict O N H N N H O O O NH 2 O H 2 N IC50 = 6.3 nM 495.5 NC(=O)c1cccc2c1O/C(=Cc1ccc(C(=O)NCCc3nc4c(C(N)=O)cccc4[nH]3)cc1)C2=O Homo sapiens CHEMBL4305070 cell-based format
CHEMBL3109648 OBDepict N N F F F O N O CH 3 H F H O HO IC50 = 6.3 nM 517.48 Cc1c(F)ccc2c1c(=O)n(C[C@H]1CC[C@H](C(=O)O)CC1)c(=O)n2Cc1cccc(C(F)(F)F)c1C#N Homo sapiens CHEMBL4715531 single protein format
CHEMBL4442841 OBDepict CH 3 N CH 3 F N CH 3 O N N N H N O CH 3 IC50 = 6.3 nM 440.52 CN(C)c1cc(F)c2c(c1)N(C)C(=O)C21CCN(c2nc3c(c(=O)[nH]2)CCCN3C)CC1 Homo sapiens CHEMBL4345394 assay format