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Q9H2K2 | TNKS2_HUMAN | Poly [ADP-ribose] polymerase tankyrase-2 (TNKS2)

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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[ 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
CHEMBL4069447 OBDepict O N H N N H O N H O CH 3 N IC50 = 0.1 nM 477.52 Cc1cccc2c(=O)[nH]c(CCC(=O)Nc3ccc(C(=O)Nc4cccc5cccnc45)cc3)nc12 Homo sapiens CHEMBL4003541 single protein format
CHEMBL3805393 OBDepict H 3 C O N O N O N N H O F IC50 = 0.16 nM 440.48 COc1ccc(C(=O)C2CCN(C(=O)CCCc3cn4cc(F)cc4c(=O)[nH]3)CC2)cn1 Homo sapiens CHEMBL3807234 single protein format
CHEMBL3806163 OBDepict H 3 C O O N O N N H O F IC50 = 0.17 nM 439.49 COc1ccc(C(=O)C2CCN(C(=O)CCCc3cn4cc(F)cc4c(=O)[nH]3)CC2)cc1 Homo sapiens CHEMBL3807234 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 CHEMBL3807234 single protein format
CHEMBL3804939 OBDepict CH 3 O H 3 C O N O N N H O CH 3 S IC50 = 0.19 nM 467.59 COc1ccc(C(=O)C2CCN(C(=O)CCCc3nc4c(C)scc4c(=O)[nH]3)CC2)cc1C Homo sapiens CHEMBL3807234 single protein format
CHEMBL4634919 OBDepict CH 3 N N O O HO O N CH 3 N IC50 = 0.19 nM 434.5 CCN(C(=O)N1CCC(C(=O)c2ccc3cnn(C)c3c2)CC1)c1ccc(C(=O)O)cc1 Homo sapiens CHEMBL4627148 single protein format
CHEMBL4098188 OBDepict O N H N N H O N H O N IC50 = 0.2 nM 463.5 O=C(CCc1nc2ccccc2c(=O)[nH]1)Nc1ccc(C(=O)Nc2cccc3cccnc23)cc1 Homo sapiens CHEMBL4003522 cell-based format
CHEMBL4632401 OBDepict H 3 C O N N O H 3 C O N CH 3 N O HO IC50 = 0.25 nM 464.52 CCN(C(=O)N1CCC(C(=O)c2ccc3c(C(=O)O)nn(C)c3c2)CC1)c1ccc(OC)cc1 Homo sapiens CHEMBL4627148 single protein format
CHEMBL4640008 OBDepict H 3 C O N N O CH 3 O N H 3 C O OH IC50 = 0.26 nM 463.53 CCN(C(=O)N1CCC(C(=O)c2ccc3cc(C(=O)O)n(C)c3c2)CC1)c1ccc(OC)cc1 Homo sapiens CHEMBL4627148 single protein format
CHEMBL4643690 OBDepict CH 3 N N O O HO O N N CH 3 IC50 = 0.27 nM 434.5 CCN(C(=O)N1CCC(C(=O)c2ccc3ncn(C)c3c2)CC1)c1ccc(C(=O)O)cc1 Homo sapiens CHEMBL4627148 single protein format
CHEMBL3806049 OBDepict O N N N O H N O N N CH 3 CH 3 CH 3 IC50 = 0.28 nM 438.53 CC(C)n1cc(C(=O)C2CCN(C(=O)CCCc3nc4c(ccn4C)c(=O)[nH]3)CC2)cn1 Homo sapiens CHEMBL3807234 single protein format
CHEMBL4639702 OBDepict CH 3 N N O O OH O N N H 3 C IC50 = 0.29 nM 434.5 CCN(C(=O)N1CCC(C(=O)c2ccc3c(cnn3C)c2)CC1)c1ccc(C(=O)O)cc1 Homo sapiens CHEMBL4627148 single protein format
CHEMBL4638701 OBDepict H N S N O N N S N N H O IC50 = 0.3 nM 494.65 O=c1[nH]c(SCCN2CCN(CCSc3nc4ccccc4c(=O)[nH]3)CC2)nc2ccccc12 Homo sapiens CHEMBL4616008 single protein format
CHEMBL3110106 OBDepict N Cl O H H N H O S N N H O IC50 = 0.4 nM 482.99 N#Cc1ccc(O[C@H]2CC[C@H](NC(=O)CCSc3nc4ccccc4c(=O)[nH]3)CC2)cc1Cl Homo sapiens CHEMBL3111838 single protein format
CHEMBL4645574 OBDepict H 3 C O N N O H 3 C O N H 3 C O HO IC50 = 0.44 nM 463.53 CCN(C(=O)N1CCC(C(=O)c2ccc3c(c2)cc(C(=O)O)n3C)CC1)c1ccc(OC)cc1 Homo sapiens CHEMBL4627148 single protein format
CHEMBL4458129 OBDepict F CH 3 N O N H HO H 3 C CH 3 IC50 = 0.5 nM 312.34 Cc1cc(F)cc2c(=O)[nH]c(-c3ccc(C(C)(C)O)cc3)nc12 Homo sapiens CHEMBL4322250 cell-based format
CHEMBL4101890 OBDepict CH 3 N N H CH 3 HN H H 3 C N N H N O CH 3 IC50 = 0.6 nM 428.54 Cc1cc(N2C[C@H](C)N[C@H](C)C2)ncc1-c1ccc(-c2nc3c(ccn3C)c(=O)[nH]2)cc1 Homo sapiens CHEMBL3995366 assay format
CHEMBL4567515 OBDepict F CH 3 N O N H HN ClH IC50 = 0.7 nM 373.86 Cc1cc(F)cc2c(=O)[nH]c(-c3ccc(C4CCNCC4)cc3)nc12.Cl Homo sapiens CHEMBL4322250 cell-based format
CHEMBL2425812 OBDepict O NH N N N S Cl Cl IC50 = 1.0 nM 343.24 O=C(CCc1cccc(Cl)c1Cl)Nc1nnc2n1CCS2 Homo sapiens CHEMBL2428872 cell-based format
CHEMBL3966355 OBDepict CH 3 O O N N O N N H O O IC50 = 1.0 nM 506.6 COc1ccc2c(c1)CC1(CCN(CC(=O)N(Cc3nc4c(c(=O)[nH]3)COCC4)CC3CC3)CC1)C2=O Homo sapiens CHEMBL3887523 single protein format
CHEMBL4634146 OBDepict O N H N H N H N N N F N S O O CH 3 IC50 = 1.1 nM 543.58 CS(=O)(=O)c1ccc(-c2nnc([C@H]3C[C@H](NC(=O)c4ccnc5cccnc45)C3)n2-c2ccccc2F)nc1 Homo sapiens CHEMBL4618638 single protein format
CHEMBL4588170 OBDepict CH 3 N N O H OH CH 3 CH 3 IC50 = 1.4 nM 294.35 Cc1cccc2c(=O)[nH]c(-c3ccc(C(C)(C)O)cc3)nc12 Homo sapiens CHEMBL4322250 cell-based format
CHEMBL4551200 OBDepict HO O H 3 C H 3 C N N H O CH 3 F IC50 = 1.5 nM 356.4 Cc1cc(F)cc2c(=O)[nH]c(-c3ccc(C(C)(C)OCCO)cc3)nc12 Homo sapiens CHEMBL4322250 cell-based format
CHEMBL3589282 OBDepict CH 3 O N H N O CH 3 IC50 = 1.7 nM 270.33 COc1ccc(-c2cc3c(c(=O)[nH]2)CCCN3C)cc1 Homo sapiens CHEMBL3591898 single protein format
CHEMBL4643373 OBDepict O N H N H H N N N F N S O O CH 3 IC50 = 1.8 nM 542.6 CS(=O)(=O)c1ccc(-c2nnc([C@H]3C[C@H](NC(=O)c4cccc5cccnc45)C3)n2-c2ccccc2F)nc1 Homo sapiens CHEMBL4618638 single protein format
CHEMBL4636903 OBDepict F N N N H O H H N N N F N IC50 = 1.8 nM 483.48 O=C(N[C@H]1C[C@H](c2nnc(-c3ccccn3)n2-c2ccccc2F)C1)c1ccnc2cc(F)cnc12 Homo sapiens CHEMBL4618638 single protein format
CHEMBL4584689 OBDepict H 3 C N N N N H O CH 3 F IC50 = 1.8 nM 352.41 Cc1cc(F)cc2c(=O)[nH]c(-c3ccc(N4CCN(C)CC4)cc3)nc12 Homo sapiens CHEMBL4322250 cell-based 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 CHEMBL3102007 single protein format
CHEMBL2431805 OBDepict O N H N S F F F IC50 = 2.0 nM 312.32 O=c1[nH]c(-c2ccc(C(F)(F)F)cc2)nc2c1CCSC2 Homo sapiens CHEMBL2433124 assay format
CHEMBL2314698 OBDepict H 3 C O N H O NH O N N H O IC50 = 2.0 nM 442.48 COc1ccccc1NC(=O)c1ccc(NC(=O)CCc2nc3ccccc3c(=O)[nH]2)cc1 Homo sapiens CHEMBL2317530 single protein format
CHEMBL4640917 OBDepict F O F N N N N F H H HN O N N F IC50 = 2.0 nM 549.49 O=C(N[C@H]1C[C@H](c2nnc(-c3ccc(OC(F)F)cn3)n2-c2ccccc2F)C1)c1ccnc2cc(F)cnc12 Homo sapiens CHEMBL4618638 single protein format
CHEMBL4638483 OBDepict CH 3 N N N N F H H HN O N N IC50 = 2.2 nM 479.52 Cc1cccc(-c2nnc([C@H]3C[C@H](NC(=O)c4ccnc5cccnc45)C3)n2-c2ccccc2F)n1 Homo sapiens CHEMBL4618638 single protein format
CHEMBL4632685 OBDepict CH 3 N N N N F H H HN O N N F IC50 = 2.2 nM 497.51 Cc1cccc(-c2nnc([C@H]3C[C@H](NC(=O)c4ccnc5cc(F)cnc45)C3)n2-c2ccccc2F)n1 Homo sapiens CHEMBL4618638 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 CHEMBL4322250 cell-based format
CHEMBL4452246 OBDepict CH 3 O N N N N H O S IC50 = 2.3 nM 358.47 COc1ccccc1N1CCN(c2nc3c(c(=O)[nH]2)CSCC3)CC1 Homo sapiens CHEMBL4388123 assay format
CHEMBL4644156 OBDepict O N H N H N H N N N F N IC50 = 2.4 nM 465.49 O=C(N[C@H]1C[C@H](c2nnc(-c3ccccn3)n2-c2ccccc2F)C1)c1ccnc2cccnc12 Homo sapiens CHEMBL4618638 single protein format
CHEMBL3110119 OBDepict O N H H S N N H H N O O N IC50 = 2.5 nM 479.61 O=C(CCSc1nc2c(c(=O)[nH]1)CCCC2)N[C@H]1CC[C@H](c2nnc(-c3ccccc3)o2)CC1 Homo sapiens CHEMBL3111838 single protein format
CHEMBL3895038 OBDepict CH 3 O O N N O N N F F H O O IC50 = 2.5 nM 516.55 COc1ccc2c(c1)CC1(CCN(CC(=O)N(Cc3nc4c(c(=O)[nH]3)COCC4)CC(F)F)CC1)C2=O Homo sapiens CHEMBL3887523 single protein format
CHEMBL4453770 OBDepict CH 3 O N N N N H O S IC50 = 2.6 nM 358.47 COc1ccc(N2CCN(c3nc4c(c(=O)[nH]3)CSCC4)CC2)cc1 Homo sapiens CHEMBL4388123 assay format
CHEMBL4646640 OBDepict O N H N H N H N N N Cl N N IC50 = 2.6 nM 482.94 O=C(N[C@H]1C[C@H](c2nnc(-c3ccncn3)n2-c2ccccc2Cl)C1)c1ccnc2cccnc12 Homo sapiens CHEMBL4618638 single protein format
CHEMBL4454164 OBDepict F N H N N N H O IC50 = 2.8 nM 354.43 O=c1[nH]c(N2CCC3(CC2)CNc2cccc(F)c23)nc2c1CCCC2 Homo sapiens CHEMBL4388123 assay format
CHEMBL4647488 OBDepict F O F N N N N F H H HN O N N IC50 = 2.9 nM 531.5 O=C(N[C@H]1C[C@H](c2nnc(-c3ccc(OC(F)F)cn3)n2-c2ccccc2F)C1)c1ccnc2cccnc12 Homo sapiens CHEMBL4618638 single protein format
CHEMBL3918110 OBDepict CH 3 O H 3 C O N H O N N N H O O IC50 = 3.0 nM 480.57 COc1ccc(C(=O)C2CCN([C@H]3CCN(Cc4nc5c(c(=O)[nH]4)COCC5)C3=O)CC2)cc1C Homo sapiens CHEMBL3887105 single protein format
CHEMBL2425810 OBDepict O NH N N N S Cl Cl IC50 = 3.0 nM 343.24 O=C(CCc1c(Cl)cccc1Cl)Nc1nnc2n1CCS2 Homo sapiens CHEMBL2428872 cell-based format
CHEMBL125244 OBDepict HO N N OH CH 3 IC50 = 3.0 nM 252.27 Cc1cccc2c(O)nc(-c3ccc(O)cc3)nc12 Homo sapiens CHEMBL3102114 single protein format
CHEMBL3952089 OBDepict O N H N N H IC50 = 3.2 nM 239.28 O=c1[nH]nc2c3c(cccc13)NC1=C2CCCC1 Homo sapiens CHEMBL3888364 single protein format
CHEMBL4639869 OBDepict O N H N H N H N N N F N S IC50 = 3.3 nM 471.52 O=C(N[C@H]1C[C@H](c2nnc(-c3nccs3)n2-c2ccccc2F)C1)c1ccnc2cccnc12 Homo sapiens CHEMBL4618638 single protein format
CHEMBL4533577 OBDepict F F N H N N N H O IC50 = 3.3 nM 372.42 O=c1[nH]c(N2CCC3(CC2)CNc2cc(F)cc(F)c23)nc2c1CCCC2 Homo sapiens CHEMBL4388123 assay format
CHEMBL541203 OBDepict H 2 N N N OH CH 3 IC50 = 3.3 nM 251.29 Cc1cccc2c(O)nc(-c3ccc(N)cc3)nc12 Homo sapiens CHEMBL3102114 single protein format
CHEMBL4585076 OBDepict OH N O F F N N N H O CH 3 IC50 = 3.4 nM 440.45 Cc1cccc2c(=O)[nH]c(N3CCC4(CC3)C(=O)N(CCO)c3cc(F)cc(F)c34)nc12 Homo sapiens CHEMBL4345395 assay format
CHEMBL4633567 OBDepict N N N H O N N N Cl N N IC50 = 3.6 nM 480.92 N#Cc1ccc2c(c1)[nH]c(=O)n2C12CC(c3nnc(-c4ccncn4)n3-c3ccccc3Cl)(C1)C2 Homo sapiens CHEMBL4618638 single protein format
CHEMBL4586580 OBDepict F N O N H CH 3 H 3 C CH 3 IC50 = 3.6 nM 296.35 CC(C)(C)c1ccc(-c2nc3ccc(F)cc3c(=O)[nH]2)cc1 Homo sapiens CHEMBL4322250 cell-based format
CHEMBL3805627 OBDepict N O N O N N N H O CH 3 IC50 = 3.9 nM 419.49 Cc1ccc2c(=O)[nH]c(CCCC(=O)N3CCC(Oc4ccc(C#N)cc4)CC3)nn12 Homo sapiens CHEMBL3807234 single protein format
CHEMBL3889537 OBDepict F O N N O N N H O O IC50 = 4.0 nM 494.57 O=C(CN1CCC2(CC1)Cc1cc(F)ccc1C2=O)N(Cc1nc2c(c(=O)[nH]1)COCC2)CC1CC1 Homo sapiens CHEMBL3887523 single protein format
CHEMBL1086580 OBDepict OH N N S F F F IC50 = 4.0 nM 312.32 Oc1nc(-c2ccc(C(F)(F)F)cc2)nc2c1CSCC2 Homo sapiens CHEMBL1119029 single protein format
CHEMBL3110117 OBDepict O N H H S N N H H N O O N IC50 = 4.1 nM 475.57 O=C(CCSc1nc2ccccc2c(=O)[nH]1)N[C@H]1CC[C@H](c2nnc(-c3ccccc3)o2)CC1 Homo sapiens CHEMBL3111838 single protein format
CHEMBL4643964 OBDepict H 3 C O N N N N F H H N H O N N IC50 = 4.3 nM 509.55 CCOc1ccc(-c2nnc([C@H]3C[C@H](NC(=O)c4ccnc5cccnc45)C3)n2-c2ccccc2F)nc1 Homo sapiens CHEMBL4618638 single protein format
CHEMBL4463639 OBDepict OH O F N CH 3 O N N N H N O CH 3 IC50 = 4.7 nM 457.51 CN1CCCc2c1nc(N1CCC3(CC1)C(=O)N(C)c1cc(OCCO)cc(F)c13)[nH]c2=O Homo sapiens CHEMBL4345395 assay format
CHEMBL4449621 OBDepict F N H O N N N H O IC50 = 4.7 nM 368.41 O=C1Nc2cccc(F)c2C12CCN(c1nc3c(c(=O)[nH]1)CCCC3)CC2 Homo sapiens CHEMBL4388123 assay format
CHEMBL2381934 OBDepict O O N CH 3 CH 3 H H H N H O N IC50 = 4.78 nM 443.55 CC1(C)OC(=O)N([C@H]2CC[C@H](NC(=O)c3cccc4cccnc34)CC2)[C@H]1c1ccccc1 Homo sapiens CHEMBL3888462 single protein format
CHEMBL4538780 OBDepict CH 3 O N N N N H O S IC50 = 4.8 nM 358.47 COc1cccc(N2CCN(c3nc4c(c(=O)[nH]3)CSCC4)CC2)c1 Homo sapiens CHEMBL4388123 assay format
CHEMBL4641515 OBDepict O N H N H H N N N Cl N N IC50 = 4.9 nM 431.89 O=C(N[C@H]1C[C@H](c2nnc(-c3ccncn3)n2-c2ccccc2Cl)C1)c1ccccn1 Homo sapiens CHEMBL4618638 single protein format
CHEMBL4441837 OBDepict Cl N H O N N N H O IC50 = 4.9 nM 384.87 O=C1Nc2cccc(Cl)c2C12CCN(c1nc3c(c(=O)[nH]1)CCCC3)CC2 Homo sapiens CHEMBL4388123 assay format
CHEMBL3968203 OBDepict Cl N N H O H H N O O H H 3 C H 3 C IC50 = 4.98 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 CHEMBL3888462 single protein format
CHEMBL2425813 OBDepict O NH N N N S Cl Cl IC50 = 5.0 nM 343.24 O=C(CCc1ccc(Cl)cc1Cl)Nc1nnc2n1CCS2 Homo sapiens CHEMBL2428872 cell-based format
CHEMBL3945783 OBDepict CH 3 O O N H O N N N H O IC50 = 5.0 nM 460.53 COc1ccc(C(=O)C2CCN([C@H]3CCN(Cc4nc5ccccc(=O)c5[nH]4)C3=O)CC2)cc1 Homo sapiens CHEMBL3887105 single protein format
CHEMBL2425809 OBDepict O NH N N N S Cl IC50 = 5.0 nM 308.79 O=C(CCc1ccccc1Cl)Nc1nnc2n1CCS2 Homo sapiens CHEMBL2428872 cell-based format
CHEMBL3916481 OBDepict F F N O N N N H O O O IC50 = 5.0 nM 474.51 O=C(c1ccccc1)C1CCN(CC(=O)N(Cc2nc3c(c(=O)[nH]2)COCC3)CC(F)F)CC1 Homo sapiens CHEMBL3887523 single protein format
CHEMBL521686 OBDepict O N N O F N N H O IC50 = 5.2 nM 434.47 O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1 Homo sapiens CHEMBL3887961 single protein format
CHEMBL4441713 OBDepict Cl N H N N N H O IC50 = 5.3 nM 370.88 O=c1[nH]c(N2CCC3(CC2)CNc2cccc(Cl)c23)nc2c1CCCC2 Homo sapiens CHEMBL4388123 assay format
CHEMBL2381935 OBDepict O O N CH 3 CH 3 H H H N H O N N IC50 = 5.46 nM 444.54 CC1(C)OC(=O)N([C@H]2CC[C@H](NC(=O)c3ccnc4cccnc34)CC2)[C@H]1c1ccccc1 Homo sapiens CHEMBL3888462 single protein format
CHEMBL3098937 OBDepict Br N N H O CH 3 IC50 = 5.5 nM 315.17 Cc1cccc2c(=O)[nH]c(-c3ccc(Br)cc3)nc12 Homo sapiens CHEMBL3102114 single protein format
CHEMBL4442053 OBDepict F F N S O O O CH 3 N N N H N O H 3 C IC50 = 5.5 nM 493.54 CN1CCCc2c1nc(N1CCC3(CC1)C(=O)N(CS(C)(=O)=O)c1cc(F)cc(F)c13)[nH]c2=O Homo sapiens CHEMBL4345395 assay format
CHEMBL4469043 OBDepict Cl N H N N N H O IC50 = 5.8 nM 370.88 O=c1[nH]c(N2CCC3(CC2)CNc2cc(Cl)ccc23)nc2c1CCCC2 Homo sapiens CHEMBL4388123 assay format
CHEMBL3956527 OBDepict CH 3 O O O N N H O N N H O O IC50 = 6.0 nM 484.55 COCCOc1ccc(C(=O)C2CCN(CC(=O)NCc3nc4c(c(=O)[nH]3)COCC4)CC2)cc1 Homo sapiens CHEMBL3887523 single protein format
CHEMBL3956961 OBDepict F O N O N N N H O O IC50 = 6.0 nM 454.5 O=C(c1ccc(F)cc1)C1CCN(C2CCN(Cc3nc4c(c(=O)[nH]3)COCC4)C2=O)CC1 Homo sapiens CHEMBL3887105 single protein format
CHEMBL2419706 OBDepict CH 3 O O N N O N N H O O IC50 = 6.0 nM 494.59 COc1ccc(C(=O)C2CCN(CC(=O)N(Cc3nc4c(c(=O)[nH]3)COCC4)CC3CC3)CC2)cc1 Homo sapiens CHEMBL2422479 single protein format
CHEMBL4532667 OBDepict N N O F F N N N H N O CH 3 IC50 = 6.1 nM 440.45 CN1CCCc2c1nc(N1CCC3(CC1)C(=O)N(CC#N)c1cc(F)cc(F)c13)[nH]c2=O Homo sapiens CHEMBL4345395 assay format
CHEMBL3110101 OBDepict O NH H S N N H O H O N IC50 = 6.2 nM 424.53 O=C(CCSc1nc2ccccc2c(=O)[nH]1)N[C@H]1CC[C@H](Oc2ccncc2)CC1 Homo sapiens CHEMBL3111838 single protein format
CHEMBL4470218 OBDepict CH 3 O F N CH 3 O N N N H N O CH 3 IC50 = 6.2 nM 427.48 COc1cc(F)c2c(c1)N(C)C(=O)C21CCN(c2nc3c(c(=O)[nH]2)CCCN3C)CC1 Homo sapiens CHEMBL4345395 assay format
CHEMBL4572668 OBDepict H 3 C O O F N CH 3 O N N N H N O CH 3 IC50 = 6.4 nM 471.53 COCCOc1cc(F)c2c(c1)N(C)C(=O)C21CCN(c2nc3c(c(=O)[nH]2)CCCN3C)CC1 Homo sapiens CHEMBL4345395 assay format
CHEMBL4059827 OBDepict O S N O N H F F F IC50 = 6.5 nM 326.3 O=C1SCCc2nc(-c3ccc(C(F)(F)F)cc3)[nH]c(=O)c21 Homo sapiens CHEMBL4003522 cell-based format
CHEMBL3098940 OBDepict CH 3 N N H O CH 3 IC50 = 6.7 nM 250.3 Cc1ccc(-c2nc3c(C)cccc3c(=O)[nH]2)cc1 Homo sapiens CHEMBL3102114 single protein format
CHEMBL4483558 OBDepict OH N O Cl N N N H O IC50 = 6.8 nM 428.92 O=C1N(CCO)c2cccc(Cl)c2C12CCN(c1nc3c(c(=O)[nH]1)CCCC3)CC2 Homo sapiens CHEMBL4388123 assay format
CHEMBL3925030 OBDepict O NH N N N H O O O Cl IC50 = 7.0 nM 444.92 O=C(CN1CCC(C(=O)c2ccc(Cl)cc2)CC1)NCc1nc2c(c(=O)[nH]1)COCC2 Homo sapiens CHEMBL3887523 single protein format
CHEMBL4441063 OBDepict OH N F F N N N H N O H 3 C IC50 = 7.0 nM 415.44 Cn1ccc2c(=O)[nH]c(N3CCC4(CC3)CN(CCO)c3cc(F)cc(F)c34)nc21 Homo sapiens CHEMBL4345395 assay format
CHEMBL3901232 OBDepict O N O CH 3 H 3 C CH 3 N H N N H O IC50 = 7.0 nM 340.38 CC(C)(C)OC(=O)N1CCC2=C(C1)Nc1cccc3c(=O)[nH]nc2c13 Homo sapiens CHEMBL3888364 single protein format
CHEMBL3921853 OBDepict H 3 C O CH 3 O N H O N N N H O IC50 = 7.0 nM 474.56 COc1ccc(C(=O)C2CCN([C@H]3CCN(Cc4nc5ccccc(=O)c5[nH]4)C3=O)CC2)cc1C Homo sapiens CHEMBL3887105 single protein format
CHEMBL4469038 OBDepict Cl Cl N H O N N N H O IC50 = 7.1 nM 419.31 O=C1Nc2cc(Cl)cc(Cl)c2C12CCN(c1nc3c(c(=O)[nH]1)CCCC3)CC2 Homo sapiens CHEMBL4388123 assay format
CHEMBL4640597 OBDepict F O F N N N N F H H HN O N F IC50 = 7.4 nM 498.44 O=C(N[C@H]1C[C@H](c2nnc(-c3ccc(OC(F)F)cn3)n2-c2ccccc2F)C1)c1ccc(F)cn1 Homo sapiens CHEMBL4618638 single protein format
CHEMBL4529394 OBDepict F F N H O N N N H O IC50 = 7.5 nM 386.4 O=C1Nc2cc(F)cc(F)c2C12CCN(c1nc3c(c(=O)[nH]1)CCCC3)CC2 Homo sapiens CHEMBL4388123 assay format
CHEMBL4545573 OBDepict F F N O N H HO H 3 C CH 3 IC50 = 7.5 nM 316.31 CC(C)(O)c1ccc(-c2nc3ccc(F)c(F)c3c(=O)[nH]2)cc1 Homo sapiens CHEMBL4322250 cell-based format
CHEMBL3589283 OBDepict CH 3 N N O H F F F IC50 = 7.5 nM 308.3 CN1CCCc2c1cc(-c1ccc(C(F)(F)F)cc1)[nH]c2=O Homo sapiens CHEMBL3591898 single protein format
CHEMBL2419698 OBDepict F O N N O N N S H O O IC50 = 7.5 nM 524.62 O=C(c1ccc(F)cc1)C1CCN(CC(=O)N(Cc2nc3c(c(=O)[nH]2)COCC3)Cc2cccs2)CC1 Homo sapiens CHEMBL2422479 single protein format
CHEMBL3110100 OBDepict N O H H N H O S N N H O IC50 = 7.6 nM 448.55 N#Cc1ccc(O[C@H]2CC[C@H](NC(=O)CCSc3nc4ccccc4c(=O)[nH]3)CC2)cc1 Homo sapiens CHEMBL3111838 single protein format
CHEMBL4461426 OBDepict F N H N N N H O IC50 = 7.6 nM 354.43 O=c1[nH]c(N2CCC3(CC2)CNc2cc(F)ccc23)nc2c1CCCC2 Homo sapiens CHEMBL4388123 assay format
CHEMBL3891789 OBDepict O N N N N H O O O O F F F IC50 = 8.0 nM 548.56 O=C(c1ccc(OC(F)(F)F)cc1)C1CCN(CC(=O)N(Cc2nc3c(c(=O)[nH]2)COCC3)CC2CC2)CC1 Homo sapiens CHEMBL3887523 single protein format
CHEMBL3955207 OBDepict O N H N N N H O O O F IC50 = 8.0 nM 440.48 O=C(CN1CCC2(CC1)Cc1cc(F)ccc1C2=O)NCc1nc2c(c(=O)[nH]1)COCC2 Homo sapiens CHEMBL3887523 single protein format
CHEMBL2425801 OBDepict O N H N N N S IC50 = 8.0 nM 280.4 O=C(CCC1CCCCC1)Nc1nnc2n1CCS2 Homo sapiens CHEMBL2428872 cell-based format
CHEMBL4577914 OBDepict OH N O F N N N H O IC50 = 8.2 nM 412.47 O=C1N(CCO)c2cccc(F)c2C12CCN(c1nc3c(c(=O)[nH]1)CCCC3)CC2 Homo sapiens CHEMBL4388123 assay format