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P14625 | ENPL_HUMAN | Endoplasmin (HSP90B1)

3D structures mapped by conservation among orthologs

[ Domain: "ATPase domain of HSP90 chaperone/DNA topoisomerase II/histidine kinase" // HATPase_c ]

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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
CHEMBL252164 OBDepict H 3 C HN O N O OH N H 3 C H 3 C HO O Ki = 4.0 nM 465.55 CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1 Homo sapiens CHEMBL3106549 assay format
CHEMBL1214827 OBDepict H 3 C N N N O HO CH 3 CH 3 OH IC50 = 22.0 nM 409.53 CC(C)c1cc(C(=O)N2Cc3ccc(CN4CCN(C)CC4)cc3C2)c(O)cc1O Homo sapiens CHEMBL4707003 single protein format
CHEMBL200102 OBDepict H 3 C N H H 3 C N S N N N H 2 N I O O IC50 = 26.0 nM 512.38 CC(C)NCCCn1c(Sc2cc3c(cc2I)OCO3)nc2c(N)ncnc21 Homo sapiens CHEMBL3427924 single protein format
CHEMBL3426787 OBDepict CH 3 O O OH Cl OH N N IC50 = 32.0 nM 386.84 COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccccc1 Homo sapiens CHEMBL3626591 cell-based format
CHEMBL2103879 OBDepict OH HO N N N H 3 C H 3 C H O N H 3 C IC50 = 37.7 nM 364.41 CC(C)c1cc(-c2n[nH]c(=O)n2-c2ccc3c(ccn3C)c2)c(O)cc1O Homo sapiens CHEMBL4614281 single protein format
CHEMBL4647894 OBDepict CH 3 O O N N N OH N CH 3 H 3 C OH IC50 = 49.42 nM 464.57 COC(=O)Cn1nnc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCCCC2)cc1 Homo sapiens CHEMBL4614281 single protein format
CHEMBL4744238 OBDepict CH 3 N N N O OH H 3 C CH 3 HO IC50 = 50.0 nM 313.36 Cc1ncc2c(n1)CN(C(=O)c1cc(C(C)C)c(O)cc1O)C2 Homo sapiens CHEMBL4707003 single protein format
CHEMBL4647171 OBDepict H 3 C O O N N N S OH O O CH 3 CH 3 H 3 C OH IC50 = 54.1 nM 445.5 COC(=O)Cn1nnc(-c2cc(C(C)C)c(O)cc2O)c1-c1cccc(S(C)(=O)=O)c1 Homo sapiens CHEMBL4614281 single protein format
CHEMBL1230584 OBDepict CH 3 O CH 3 CH 3 N N N H 2 N N Cl HO H 3 C CH 3 Ki = 61.0 nM 413.91 COc1c(C)cnc(Cn2cc(C#CCC(C)(C)O)c3c(Cl)nc(N)nc32)c1C Homo sapiens CHEMBL2212643 single protein format
CHEMBL4635982 OBDepict CH 3 O O N N N O OH O CH 3 H 3 C OH IC50 = 77.96 nM 425.44 COC(=O)Cn1nnc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc2c(c1)OCCO2 Homo sapiens CHEMBL4614281 single protein format
CHEMBL4641526 OBDepict HO OH N N N CH 3 H 3 C S O O H 3 C IC50 = 78.01 nM 463.56 CC(C)c1cc(-c2nnn(Cc3ccccc3)c2-c2ccc(S(C)(=O)=O)cc2)c(O)cc1O Homo sapiens CHEMBL4614281 single protein format
CHEMBL252164 OBDepict H 3 C HN O N O OH N H 3 C H 3 C HO O IC50 = 85.0 nM 465.55 CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1 Homo sapiens CHEMBL1100284 single protein format
CHEMBL4639163 OBDepict CH 3 O O N N N OH S O O H 3 C H 3 C CH 3 HO IC50 = 88.98 nM 445.5 COC(=O)Cn1nnc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(S(C)(=O)=O)cc1 Homo sapiens CHEMBL4614281 single protein format
CHEMBL4635778 OBDepict H 3 C O O N N N S HO O O CH 3 CH 3 CH 3 OH IC50 = 96.2 nM 459.52 CCOC(=O)Cn1nnc(-c2cc(C(C)C)c(O)cc2O)c1-c1cccc(S(C)(=O)=O)c1 Homo sapiens CHEMBL4614281 single protein format
CHEMBL4648197 OBDepict H 3 C O O N N N OH S O O H 3 C H 3 C CH 3 HO IC50 = 100.46 nM 459.52 CCOC(=O)Cn1nnc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(S(C)(=O)=O)cc1 Homo sapiens CHEMBL4614281 single protein format
CHEMBL3426784 OBDepict H 3 C N H H 3 C N S N N H 2 N I O O IC50 = 101.0 nM 511.39 CC(C)NCCCn1c(Sc2cc3c(cc2I)OCO3)nc2c(N)nccc21 Homo sapiens CHEMBL3427924 single protein format
CHEMBL464859 OBDepict CH 3 N H O H O H OH H N H HO N N N H 2 N Ki = 110.0 nM 308.3 CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL4689556 single protein format
CHEMBL365118 OBDepict HC N S N N N H 2 N Cl Cl IC50 = 120.0 nM 378.29 C#CCCCn1c(Sc2ccc(Cl)cc2Cl)nc2c(N)ncnc21 Homo sapiens CHEMBL3427924 single protein format
CHEMBL519809 OBDepict H 3 C NH O H O H OH H N H HO N N N H 2 N Ki = 130.0 nM 294.27 CNC(=O)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL4689556 single protein format
CHEMBL192480 OBDepict CH N S N N N NH 2 Cl Cl Cl IC50 = 170.0 nM 412.73 C#CCCCn1c(Sc2cc(Cl)c(Cl)cc2Cl)nc2c(N)ncnc21 Homo sapiens CHEMBL3427924 single protein format
CHEMBL4648091 OBDepict CH 3 O O N N N OH O H 3 C CH 3 HO N CH 3 CH 3 IC50 = 174.8 nM 454.53 COC(=O)Cn1nnc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(OCCN(C)C)cc1 Homo sapiens CHEMBL4614281 single protein format
CHEMBL467399 OBDepict CH 3 O CH 3 CH 3 N N N N H 2 N N Cl Ki = 176.0 nM 318.77 COc1c(C)cnc(Cn2cnc3c(Cl)nc(N)nc32)c1C Homo sapiens CHEMBL3106549 assay format
CHEMBL4638275 OBDepict CH 3 O O N N N NH OH S O O H 3 C H 3 C CH 3 HO IC50 = 190.22 nM 460.51 COC(=O)Cn1nnc(-c2cc(C(C)C)c(O)cc2O)c1-c1cccc(NS(C)(=O)=O)c1 Homo sapiens CHEMBL4614281 single protein format
CHEMBL4641450 OBDepict H 3 C O O N N N O HO O H 3 C CH 3 HO IC50 = 192.09 nM 439.47 CCOC(=O)Cn1nnc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc2c(c1)OCCO2 Homo sapiens CHEMBL4614281 single protein format
CHEMBL4869481 OBDepict NH 2 N N Cl N N HO Br O O IC50 = 194.0 nM 398.6 Nc1nc(Cl)c2nc(O)n(Cc3cc4c(cc3Br)OCO4)c2n1 Homo sapiens CHEMBL4824941 single protein format
CHEMBL4779990 OBDepict CH 3 O O N N N CH 3 H 3 C N O OH H 3 C CH 3 HO IC50 = 195.0 nM 430.51 COCCOc1nc2c(c(N(C)C)n1)CN(C(=O)c1cc(C(C)C)c(O)cc1O)CC2 Homo sapiens CHEMBL4707003 single protein format
CHEMBL4782374 OBDepict CH 3 O O N N NH H 3 C N O OH H 3 C CH 3 HO IC50 = 196.0 nM 416.48 CNc1nc(OCCOC)nc2c1CN(C(=O)c1cc(C(C)C)c(O)cc1O)CC2 Homo sapiens CHEMBL4707003 single protein format
CHEMBL4636983 OBDepict CH 3 O O N N N OH N CH 3 H 3 C OH O IC50 = 197.13 nM 466.54 COC(=O)Cn1nnc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1 Homo sapiens CHEMBL4614281 single protein format
CHEMBL4797602 OBDepict CH 3 O O N N N O OH H 3 C CH 3 HO IC50 = 198.0 nM 387.44 COCCOc1ncc2c(n1)CCN(C(=O)c1cc(C(C)C)c(O)cc1O)C2 Homo sapiens CHEMBL4707003 single protein format
CHEMBL4649532 OBDepict H 3 C O O N N N NH OH S O O H 3 C H 3 C CH 3 HO IC50 = 209.28 nM 474.54 CCOC(=O)Cn1nnc(-c2cc(C(C)C)c(O)cc2O)c1-c1cccc(NS(C)(=O)=O)c1 Homo sapiens CHEMBL4614281 single protein format
CHEMBL4753741 OBDepict CH 3 O O N N HN N O OH H 3 C CH 3 HO IC50 = 216.0 nM 442.52 COCCOc1nc2c(c(NC3CC3)n1)CN(C(=O)c1cc(C(C)C)c(O)cc1O)CC2 Homo sapiens CHEMBL4707003 single protein format
CHEMBL4777147 OBDepict CH 3 N H 3 C O N N N O OH H 3 C CH 3 HO IC50 = 217.0 nM 428.53 CCN(CC)CCOc1ncc2c(n1)CCN(C(=O)c1cc(C(C)C)c(O)cc1O)C2 Homo sapiens CHEMBL4707003 single protein format
CHEMBL3426781 OBDepict H 3 C N H H 3 C N S N N N H 2 N Cl Cl IC50 = 220.0 nM 411.36 CC(C)NCCCn1c(Sc2cc(Cl)cc(Cl)c2)nc2c(N)ncnc21 Homo sapiens CHEMBL3427924 single protein format
CHEMBL4753836 OBDepict CH 3 O O N N O CH 3 N O HO CH 3 CH 3 OH IC50 = 232.0 nM 417.46 COCCOc1nc2c(c(OC)n1)CN(C(=O)c1cc(C(C)C)c(O)cc1O)CC2 Homo sapiens CHEMBL4707003 single protein format
CHEMBL3426734 OBDepict HC N S N N N H 2 N Cl Br IC50 = 240.0 nM 422.74 C#CCCCn1c(Sc2cc(Cl)cc(Br)c2)nc2c(N)ncnc21 Homo sapiens CHEMBL3427924 single protein format
CHEMBL261482 OBDepict NH 2 N N N N H O H OH H H HO N H O Ki = 240.0 nM 320.31 Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)NC2CC2)[C@@H](O)[C@H]1O Homo sapiens CHEMBL4689556 single protein format
CHEMBL4781723 OBDepict H 3 C N N N O HO CH 3 CH 3 OH IC50 = 245.0 nM 327.38 Cc1ncc2c(n1)CCN(C(=O)c1cc(C(C)C)c(O)cc1O)C2 Homo sapiens CHEMBL4707003 single protein format
CHEMBL192013 OBDepict CH N S N N N NH 2 Cl Cl IC50 = 260.0 nM 378.29 C#CCCCn1c(Sc2cc(Cl)cc(Cl)c2)nc2c(N)ncnc21 Homo sapiens CHEMBL3427924 single protein format
CHEMBL3426785 OBDepict H 3 C N H H 3 C N S N N N H 2 N N O CH 3 H 3 C O IC50 = 265.0 nM 429.55 CC(C)NCCCn1c(Sc2cc3c(cc2N(C)C)OCO3)nc2c(N)ncnc21 Homo sapiens CHEMBL3427924 single protein format
CHEMBL3426741 OBDepict CH N S N N N NH 2 Cl Cl IC50 = 287.0 nM 364.26 C#CCCn1c(Sc2cc(Cl)cc(Cl)c2)nc2c(N)ncnc21 Homo sapiens CHEMBL3427924 single protein format
CHEMBL3426735 OBDepict CH N S N N N NH 2 Br Br IC50 = 290.0 nM 467.19 C#CCCCn1c(Sc2cc(Br)cc(Br)c2)nc2c(N)ncnc21 Homo sapiens CHEMBL3427924 single protein format
CHEMBL4744192 OBDepict H 3 C N CH 3 O N N N O HO CH 3 CH 3 OH IC50 = 290.0 nM 400.48 CC(C)c1cc(C(=O)N2CCc3nc(OCCN(C)C)ncc3C2)c(O)cc1O Homo sapiens CHEMBL4707003 single protein format
CHEMBL4863672 OBDepict H 3 C F N HO N N NH 2 N Cl IC50 = 318.0 nM 307.72 Cc1ccc(Cn2c(O)nc3c(Cl)nc(N)nc32)c(F)c1 Homo sapiens CHEMBL4824941 single protein format
CHEMBL3426763 OBDepict HC N N N O N H 2 N Cl Cl IC50 = 340.0 nM 374.23 C#CCCCn1c(C(=O)c2ccc(Cl)cc2Cl)nc2c(N)ncnc21 Homo sapiens CHEMBL3427924 single protein format
CHEMBL190439 OBDepict CH N S N N N NH 2 Cl IC50 = 350.0 nM 343.84 C#CCCCn1c(Sc2ccccc2Cl)nc2c(N)ncnc21 Homo sapiens CHEMBL3427924 single protein format
CHEMBL3104858 OBDepict NH 2 O HN F N H O CH 3 H 3 C CH 3 O Ki = 375.0 nM 399.47 Cc1cn(-c2cc(F)c(C(N)=O)c(N[C@H]3CCOC3)c2)c2c1C(=O)CC(C)(C)C2 Homo sapiens CHEMBL3106549 assay format
CHEMBL3426733 OBDepict HC N S N N N H 2 N Cl Br IC50 = 390.0 nM 422.74 C#CCCCn1c(Sc2ccc(Br)cc2Cl)nc2c(N)ncnc21 Homo sapiens CHEMBL3427924 single protein format
CHEMBL3426756 OBDepict HC N S N N N H 2 N Cl Cl IC50 = 390.0 nM 364.26 C#CCCn1c(Sc2ccc(Cl)cc2Cl)nc2c(N)ncnc21 Homo sapiens CHEMBL3427924 single protein format
CHEMBL3426780 OBDepict H 3 C N H H 3 C N S N N N H 2 N Cl Cl IC50 = 410.0 nM 411.36 CC(C)NCCCn1c(Sc2ccc(Cl)cc2Cl)nc2c(N)ncnc21 Homo sapiens CHEMBL3427924 single protein format
CHEMBL3235338 OBDepict CH 3 N N O HN H 3 C CH 3 O NH 2 S Ki = 420.0 nM 466.65 CN1CCc2c3c(n(-c4ccc(C(N)=O)c(NC5CCSCC5)c4)c2C1)CC(C)(C)CC3=O Homo sapiens CHEMBL3242258 single protein format
CHEMBL3426748 OBDepict N N S N N N NH 2 Cl Cl IC50 = 429.0 nM 379.28 N#CCCCn1c(Sc2cc(Cl)cc(Cl)c2)nc2c(N)ncnc21 Homo sapiens CHEMBL3427924 single protein format
CHEMBL3426739 OBDepict HC N S N N N H 2 N Cl Cl Cl IC50 = 430.0 nM 412.73 C#CCCCn1c(Sc2ccc(Cl)c(Cl)c2Cl)nc2c(N)ncnc21 Homo sapiens CHEMBL3427924 single protein format
CHEMBL4068596 OBDepict NH 2 N N Cl N N Br O O IC50 = 448.0 nM 382.61 Nc1nc(Cl)c2cnn(Cc3cc4c(cc3Br)OCO4)c2n1 Homo sapiens CHEMBL4824941 single protein format
CHEMBL27443 OBDepict CH 3 HN O H H HO H N H OH N N N NH 2 Ki = 470.0 nM 318.34 CCNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(N)ncnc31)[C@H](O)[C@@H]2O Homo sapiens CHEMBL4689556 single protein format
CHEMBL560895 OBDepict NH 2 O N H N H N H HO F F F H 3 C H 3 C O Ki = 484.0 nM 464.49 CC1(C)CC(=O)c2c(C(F)(F)F)nn(-c3ccc(C(N)=O)c(N[C@H]4CC[C@H](O)CC4)c3)c2C1 Homo sapiens CHEMBL3106549 assay format
CHEMBL4866705 OBDepict Br F N HO N N NH 2 N Cl IC50 = 494.0 nM 372.58 Nc1nc(Cl)c2nc(O)n(Cc3ccc(Br)cc3F)c2n1 Homo sapiens CHEMBL4824941 single protein format
CHEMBL4778735 OBDepict CH 3 O N N N O OH H 3 C CH 3 HO IC50 = 498.0 nM 343.38 COc1ncc2c(n1)CCN(C(=O)c1cc(C(C)C)c(O)cc1O)C2 Homo sapiens CHEMBL4707003 single protein format
CHEMBL4757080 OBDepict CH 3 O N N N O OH H 3 C CH 3 HO IC50 = 498.0 nM 371.44 CCCOc1ncc2c(n1)CCN(C(=O)c1cc(C(C)C)c(O)cc1O)C2 Homo sapiens CHEMBL4707003 single protein format
CHEMBL364456 OBDepict HC N S N N N H 2 N Cl F F F IC50 = 500.0 nM 411.84 C#CCCCn1c(Sc2cc(C(F)(F)F)ccc2Cl)nc2c(N)ncnc21 Homo sapiens CHEMBL3427924 single protein format
CHEMBL3426761 OBDepict HC N O N N N H 2 N Cl Cl IC50 = 500.0 nM 362.22 C#CCCCn1c(Oc2ccc(Cl)cc2Cl)nc2c(N)ncnc21 Homo sapiens CHEMBL3427924 single protein format
CHEMBL3426745 OBDepict Cl S Cl N N N NH 2 N F F F IC50 = 502.0 nM 422.26 Nc1ncnc2c1nc(Sc1cc(Cl)cc(Cl)c1)n2CCCC(F)(F)F Homo sapiens CHEMBL3427924 single protein format
CHEMBL4786802 OBDepict CH 3 O CH 3 N N N O OH H 3 C CH 3 HO IC50 = 518.0 nM 371.44 CC(C)Oc1ncc2c(n1)CCN(C(=O)c1cc(C(C)C)c(O)cc1O)C2 Homo sapiens CHEMBL4707003 single protein format
CHEMBL364450 OBDepict HC N S N N N H 2 N Cl Cl IC50 = 530.0 nM 378.29 C#CCCCn1c(Sc2cc(Cl)ccc2Cl)nc2c(N)ncnc21 Homo sapiens CHEMBL3427924 single protein format
CHEMBL3426744 OBDepict Cl S Cl N N N H 2 N N F F F IC50 = 560.0 nM 408.24 Nc1ncnc2c1nc(Sc1cc(Cl)cc(Cl)c1)n2CCC(F)(F)F Homo sapiens CHEMBL3427924 single protein format
CHEMBL4763114 OBDepict CH 3 O N N N O OH H 3 C CH 3 HO IC50 = 561.0 nM 357.41 CCOc1ncc2c(n1)CCN(C(=O)c1cc(C(C)C)c(O)cc1O)C2 Homo sapiens CHEMBL4707003 single protein format
CHEMBL3235335 OBDepict CH 3 N N O N H H 3 C H 3 C O H 2 N Ki = 580.0 nM 434.58 CN1CCc2c3c(n(-c4ccc(C(N)=O)c(NC5CCCC5)c4)c2C1)CC(C)(C)CC3=O Homo sapiens CHEMBL3242258 single protein format
CHEMBL4741658 OBDepict H 3 C N H O H H OH H N H HO N N Cl N H 2 N Ki = 590.0 nM 352.78 CCNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(N)nc(Cl)nc31)[C@H](O)[C@@H]2O Homo sapiens CHEMBL4689556 single protein format
CHEMBL4794637 OBDepict NH 2 N N N N H H OH H H HO HN O F F Ki = 590.0 nM 366.33 Nc1ncnc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(C(=O)NC3CC3(F)F)C[C@H]12 Homo sapiens CHEMBL4689556 single protein format
CHEMBL4793342 OBDepict CH 3 O O N N O H 3 C N O OH H 3 C CH 3 HO IC50 = 608.0 nM 431.49 CCOc1nc(OCCOC)nc2c1CN(C(=O)c1cc(C(C)C)c(O)cc1O)CC2 Homo sapiens CHEMBL4707003 single protein format
CHEMBL3235342 OBDepict H 3 C N N O NH CH 3 CH 3 O H 2 N H 3 C O Ki = 620.0 nM 450.58 CN1CCc2c3c(n(-c4ccc(C(N)=O)c(NCC5(C)COC5)c4)c2C1)CC(C)(C)CC3=O Homo sapiens CHEMBL3242258 single protein format
CHEMBL4850126 OBDepict H 3 C O F F N O N H 2 N N Cl IC50 = 649.0 nM 340.72 COc1ccc(F)c(CN2C(=O)Cc3c(Cl)nc(N)nc32)c1F Homo sapiens CHEMBL4824941 single protein format
CHEMBL3426742 OBDepict HC N S N N N H 2 N Cl Cl IC50 = 665.0 nM 392.32 C#CCCCCn1c(Sc2cc(Cl)cc(Cl)c2)nc2c(N)ncnc21 Homo sapiens CHEMBL3427924 single protein format
CHEMBL4782644 OBDepict H 3 C N H O H H HO H N H OH N N Cl N NH 2 Ki = 670.0 nM 338.75 CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(N)nc(Cl)nc31)[C@H](O)[C@@H]2O Homo sapiens CHEMBL4689556 single protein format
CHEMBL4796810 OBDepict CH 3 O N N N O OH H 3 C CH 3 HO IC50 = 670.0 nM 385.46 CCCCOc1ncc2c(n1)CCN(C(=O)c1cc(C(C)C)c(O)cc1O)C2 Homo sapiens CHEMBL4707003 single protein format
CHEMBL3426738 OBDepict CH N S N N N NH 2 Cl Cl IC50 = 695.0 nM 378.29 C#CCCCn1c(Sc2ccc(Cl)c(Cl)c2)nc2c(N)ncnc21 Homo sapiens CHEMBL3427924 single protein format
CHEMBL3426762 OBDepict HC N N N N H 2 N Cl Cl IC50 = 700.0 nM 360.25 C#CCCCn1c(Cc2ccc(Cl)cc2Cl)nc2c(N)ncnc21 Homo sapiens CHEMBL3427924 single protein format
CHEMBL4763426 OBDepict CH 3 H 3 C O N N N O OH H 3 C CH 3 HO IC50 = 706.0 nM 385.46 CC(C)COc1ncc2c(n1)CCN(C(=O)c1cc(C(C)C)c(O)cc1O)C2 Homo sapiens CHEMBL4707003 single protein format
CHEMBL4794716 OBDepict H 3 C N H O H H HO H N H OH N N N NH 2 Ki = 710.0 nM 304.31 CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(N)ncnc31)[C@H](O)[C@@H]2O Homo sapiens CHEMBL4689556 single protein format
CHEMBL4797252 OBDepict CH 3 O O N N NH H 3 C N O OH H 3 C CH 3 HO IC50 = 729.0 nM 430.51 CCNc1nc(OCCOC)nc2c1CN(C(=O)c1cc(C(C)C)c(O)cc1O)CC2 Homo sapiens CHEMBL4707003 single protein format
CHEMBL4753338 OBDepict CH 3 O O N N HN N H 3 C CH 3 O OH H 3 C CH 3 HO IC50 = 787.0 nM 444.53 COCCOc1nc2c(c(NC(C)C)n1)CN(C(=O)c1cc(C(C)C)c(O)cc1O)CC2 Homo sapiens CHEMBL4707003 single protein format
CHEMBL4755251 OBDepict CH 3 N H N O N N O O H 3 C HO CH 3 CH 3 OH IC50 = 796.0 nM 444.53 CCCNc1nc(OCCOC)nc2c1CN(C(=O)c1cc(C(C)C)c(O)cc1O)CC2 Homo sapiens CHEMBL4707003 single protein format
CHEMBL3426754 OBDepict H 3 C N S N N N H 2 N Cl Cl IC50 = 800.0 nM 368.29 CCCCn1c(Sc2cc(Cl)cc(Cl)c2)nc2c(N)ncnc21 Homo sapiens CHEMBL3427924 single protein format
CHEMBL4870087 OBDepict O N N Cl N Br H 2 N O O IC50 = 812.0 nM 397.62 Nc1nc(Cl)c2c(n1)N(Cc1cc3c(cc1Br)OCO3)C(=O)C2 Homo sapiens CHEMBL4824941 single protein format
CHEMBL3235344 OBDepict H 3 C N N O NH CH 3 CH 3 O NH 2 CH 3 CH 3 H 3 C Ki = 840.0 nM 436.6 CN1CCc2c3c(n(-c4ccc(C(N)=O)c(NCC(C)(C)C)c4)c2C1)CC(C)(C)CC3=O Homo sapiens CHEMBL3242258 single protein format
CHEMBL4860652 OBDepict H 3 C O F F N SH N N H 2 N N Cl IC50 = 840.0 nM 357.77 COc1cc(F)c(Cn2c(S)nc3c(Cl)nc(N)nc32)c(F)c1 Homo sapiens CHEMBL4824941 single protein format
CHEMBL4748119 OBDepict NH 2 N N N N O H O H OH H H OH Ki = 880.0 nM 265.23 Nc1ncnc2c1nc1n2[C@@H]2O[C@H](CO1)[C@@H](O)[C@H]2O Homo sapiens CHEMBL4689556 single protein format
CHEMBL3426758 OBDepict HC N CH 3 S N N N NH 2 Cl Cl IC50 = 920.0 nM 392.32 C#CCC(CC)n1c(Sc2ccc(Cl)cc2Cl)nc2c(N)ncnc21 Homo sapiens CHEMBL3427924 single protein format
CHEMBL4778049 OBDepict CH 3 O N O N N O O H 3 C HO CH 3 CH 3 OH IC50 = 929.0 nM 445.52 CCCOc1nc(OCCOC)nc2c1CN(C(=O)c1cc(C(C)C)c(O)cc1O)CC2 Homo sapiens CHEMBL4707003 single protein format
CHEMBL4782467 OBDepict Cl N N H 2 N N N H H HO H H OH O H 2 N Ki = 960.0 nM 324.73 NC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(N)nc(Cl)nc31)[C@H](O)[C@@H]2O Homo sapiens CHEMBL4689556 single protein format
CHEMBL4879021 OBDepict NH 2 N N Cl N N HO Cl Cl IC50 = 986.0 nM 344.59 Nc1nc(Cl)c2nc(O)n(Cc3ccc(Cl)c(Cl)c3)c2n1 Homo sapiens CHEMBL4824941 single protein format