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Q8IXJ6 | SIR2_HUMAN | NAD-dependent protein deacetylase sirtuin-2 (SIRT2)

3D structures mapped by conservation among orthologs

[ Domain: "DHS-like NAD/FAD-binding domain" // SIR2_1st ]

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[ Domain: "Rubredoxin-related" // SIR2_2nd ]

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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 Ki table

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL2338810 OBDepict H 2 N O S N N N HN S O O CH 3 IC50 = 1.1 nM 383.5 CS(=O)(=O)NCCC1CCN(c2ncnc3cc(C(N)=O)sc23)CC1 Homo sapiens CHEMBL2341151 single protein format
CHEMBL2332037 OBDepict CH 3 N H O N H O N N S N O H 2 N IC50 = 1.3 nM 480.59 CCNC(=O)c1cccc(C(=O)NCCC2CCN(c3ncnc4cc(C(N)=O)sc34)CC2)c1 Homo sapiens CHEMBL2341151 single protein format
CHEMBL2332041 OBDepict O N H S O O CH 3 CH 3 CH 3 N N S N O H 2 N IC50 = 1.8 nM 515.66 CC(C)(C)OC(=O)c1ccc(C(=O)NCCC2CCN(c3ncnc4cc(C(N)=O)sc34)CC2)s1 Homo sapiens CHEMBL2341151 single protein format
CHEMBL2332039 OBDepict H 3 C N H O S N H O N N S N O H 2 N IC50 = 2.7 nM 486.62 CCNC(=O)c1ccc(C(=O)NCCC2CCN(c3ncnc4cc(C(N)=O)sc34)CC2)s1 Homo sapiens CHEMBL2341151 single protein format
CHEMBL2332042 OBDepict O N H S O HO N N S N O H 2 N IC50 = 4.4 nM 459.55 NC(=O)c1cc2ncnc(N3CCC(CCNC(=O)c4ccc(C(=O)O)s4)CC3)c2s1 Homo sapiens CHEMBL2341151 single protein format
CHEMBL2332040 OBDepict H 3 C N H O S N H O N N N S N O H 2 N IC50 = 4.8 nM 487.61 CCNC(=O)c1ccc(C(=O)NCCN2CCN(c3ncnc4cc(C(N)=O)sc34)CC2)s1 Homo sapiens CHEMBL2341151 single protein format
CHEMBL2332044 OBDepict O O HN CH 3 CH 3 CH 3 N N S N O H 2 N IC50 = 5.4 nM 405.52 CC(C)(C)OC(=O)NCCC1CCN(c2ncnc3cc(C(N)=O)sc23)CC1 Homo sapiens CHEMBL2341151 single protein format
CHEMBL2332043 OBDepict O N H S N N S N O H 2 N IC50 = 6.5 nM 415.54 NC(=O)c1cc2ncnc(N3CCC(CCNC(=O)c4cccs4)CC3)c2s1 Homo sapiens CHEMBL2341151 single protein format
CHEMBL2332038 OBDepict CH 3 N H O N H O N N N S N O H 2 N IC50 = 10.0 nM 481.58 CCNC(=O)c1cccc(C(=O)NCCN2CCN(c3ncnc4cc(C(N)=O)sc34)CC2)c1 Homo sapiens CHEMBL2341151 single protein format
CHEMBL2332055 OBDepict O HN CH 3 H 3 C CH 3 N N S N O H 2 N IC50 = 10.0 nM 389.53 CC(C)(C)C(=O)NCCC1CCN(c2ncnc3cc(C(N)=O)sc23)CC1 Homo sapiens CHEMBL2341151 single protein format
CHEMBL3805001 OBDepict O N H O N O NH 2 IC50 = 13.5 nM 423.47 NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(-c4ccccc4)cc3)c2)c1 Homo sapiens CHEMBL3806935 assay format
CHEMBL3805929 OBDepict O N H N H N O N O NH 2 IC50 = 15.7 nM 387.4 NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc4cn[nH]c4c3)c2)c1 Homo sapiens CHEMBL3806935 assay format
CHEMBL2338808 OBDepict O NH CH 3 CH 3 CH 3 N N S N O H 2 N IC50 = 16.0 nM 403.55 CC(C)(C)C(=O)NCCCC1CCN(c2ncnc3cc(C(N)=O)sc23)CC1 Homo sapiens CHEMBL2341151 single protein format
CHEMBL3805692 OBDepict O N H N O O N O NH 2 IC50 = 16.7 nM 432.48 NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(N4CCOCC4)cc3)c2)c1 Homo sapiens CHEMBL3806935 assay format
CHEMBL2338809 OBDepict NH 2 O S N N N N NH O CH 3 H 3 C CH 3 IC50 = 17.0 nM 390.51 CC(C)(C)C(=O)NCCN1CCN(c2ncnc3cc(C(N)=O)sc23)CC1 Homo sapiens CHEMBL2341151 single protein format
CHEMBL3804834 OBDepict O HN N O N N N O NH 2 IC50 = 19.0 nM 414.43 NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(-n4cnnc4)cc3)c2)c1 Homo sapiens CHEMBL3806935 assay format
CHEMBL4638983 OBDepict CH 3 HN S N H HN O O O IC50 = 20.0 nM 581.87 CCCCCCCCCCCCCC(=S)NCCCCC(NC(=O)OCc1ccccc1)C(=O)Nc1ccccc1 Homo sapiens CHEMBL4613334 single protein format
CHEMBL3805063 OBDepict O HN N N O N O NH 2 IC50 = 22.4 nM 413.44 NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(-n4cccc4)nc3)c2)c1 Homo sapiens CHEMBL3806935 assay format
CHEMBL3805835 OBDepict O N H N O N O NH 2 IC50 = 22.7 nM 424.46 NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(-c4ccccn4)cc3)c2)c1 Homo sapiens CHEMBL3806935 assay format
CHEMBL3806268 OBDepict O N H O N N O NH 2 IC50 = 22.9 nM 424.46 NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(-c4ccncc4)cc3)c2)c1 Homo sapiens CHEMBL3806935 assay format
CHEMBL2332045 OBDepict CH 3 HN O N N S N O H 2 N IC50 = 23.0 nM 347.44 CC(=O)NCCC1CCN(c2ncnc3cc(C(N)=O)sc23)CC1 Homo sapiens CHEMBL2341151 single protein format
CHEMBL3805112 OBDepict O N H O N O NH 2 IC50 = 23.4 nM 397.43 NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc4ccccc4c3)c2)c1 Homo sapiens CHEMBL3806935 assay format
CHEMBL3805479 OBDepict O HN S O N O NH 2 IC50 = 26.3 nM 429.5 NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(-c4cccs4)cc3)c2)c1 Homo sapiens CHEMBL3806935 assay format
CHEMBL3805070 OBDepict O N H N CH 3 CH 3 O N O H 2 N IC50 = 26.7 nM 390.44 CN(C)c1ccc(C(=O)Nc2cccc(COc3cncc(C(N)=O)c3)c2)cc1 Homo sapiens CHEMBL3806935 assay format
CHEMBL2338816 OBDepict O HN CH 3 H 3 C CH 3 N S N O H 2 N IC50 = 28.0 nM 388.54 CC(C)(C)C(=O)NCCC1CCN(c2ccnc3cc(C(N)=O)sc23)CC1 Homo sapiens CHEMBL2341151 single protein format
CHEMBL4129995 OBDepict CH 3 NH S N H H N H O O O IC50 = 28.0 nM 581.87 CCCCCCCCCCCCCC(=S)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccccc1 Homo sapiens CHEMBL4125412 assay format
CHEMBL3805847 OBDepict O N H O N N O NH 2 IC50 = 28.1 nM 424.46 NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(-c4cccnc4)cc3)c2)c1 Homo sapiens CHEMBL3806935 assay format
CHEMBL3805072 OBDepict CH 3 NH O N H O O N O NH 2 IC50 = 28.1 nM 404.43 CNC(=O)c1ccc(C(=O)Nc2cccc(COc3cncc(C(N)=O)c3)c2)cc1 Homo sapiens CHEMBL3806935 assay format
CHEMBL3805639 OBDepict O HN N O O N O NH 2 IC50 = 28.9 nM 414.42 NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(-c4ccco4)nc3)c2)c1 Homo sapiens CHEMBL3806935 assay format
CHEMBL2338814 OBDepict H 2 N O S N N N N N IC50 = 29.0 nM 360.49 NC(=O)c1cc2ncnc(N3CCN(CCN4CCCC4)CC3)c2s1 Homo sapiens CHEMBL2341151 single protein format
CHEMBL3805586 OBDepict O N H F O N O NH 2 IC50 = 29.3 nM 441.46 NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(-c4ccccc4)c(F)c3)c2)c1 Homo sapiens CHEMBL3806935 assay format
CHEMBL3805934 OBDepict O N H F O N N O NH 2 IC50 = 29.7 nM 442.45 NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(-c4cccnc4)c(F)c3)c2)c1 Homo sapiens CHEMBL3806935 assay format
CHEMBL2332052 OBDepict CH 3 HN S N N S N O H 2 N IC50 = 30.0 nM 363.51 CC(=S)NCCC1CCN(c2ncnc3cc(C(N)=O)sc23)CC1 Homo sapiens CHEMBL2341151 single protein format
CHEMBL3804891 OBDepict O HN S O N O NH 2 IC50 = 33.1 nM 403.46 NC(=O)c1cncc(OCc2cccc(NC(=O)c3cc4ccccc4s3)c2)c1 Homo sapiens CHEMBL3806935 assay format
CHEMBL3805825 OBDepict O HN N N N O N O NH 2 IC50 = 33.3 nM 414.43 NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(-n4cccn4)nc3)c2)c1 Homo sapiens CHEMBL3806935 assay format
CHEMBL3806257 OBDepict O N H N O N O NH 2 IC50 = 34.1 nM 348.36 NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccncc3)c2)c1 Homo sapiens CHEMBL3806935 assay format
CHEMBL3805740 OBDepict O N H N H O N O NH 2 IC50 = 35.4 nM 386.41 NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc4cc[nH]c4c3)c2)c1 Homo sapiens CHEMBL3806935 assay format
CHEMBL4574578 OBDepict CH 3 NH NH S N H H N H O O O OH IC50 = 36.0 nM 570.8 CCCCCCCCCCNC(=S)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1cccc(O)c1 Homo sapiens CHEMBL4433520 assay format
CHEMBL3804850 OBDepict F HN O O N O H 2 N IC50 = 36.8 nM 365.36 NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(F)cc3)c2)c1 Homo sapiens CHEMBL3806935 assay format
CHEMBL3805831 OBDepict CH N H O O N O H 2 N IC50 = 41.5 nM 371.4 C#Cc1ccc(C(=O)Nc2cccc(COc3cncc(C(N)=O)c3)c2)cc1 Homo sapiens CHEMBL3806935 assay format
CHEMBL3805426 OBDepict O N H F F O N O NH 2 IC50 = 41.8 nM 383.35 NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(F)c(F)c3)c2)c1 Homo sapiens CHEMBL3806935 assay format
CHEMBL3805578 OBDepict O HN N S O N O NH 2 IC50 = 41.9 nM 430.49 NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(-c4cccs4)nc3)c2)c1 Homo sapiens CHEMBL3806935 assay format
CHEMBL4070149 OBDepict O N H S N N O H 3 C CH 3 N H O S IC50 = 42.0 nM 504.64 Cc1cc(C)nc(SCC(=O)Nc2cccc(COc3ccc(NC(=O)c4cccs4)cc3)c2)n1 Homo sapiens CHEMBL4021363 single protein format
CHEMBL3805547 OBDepict O NH O N N O NH 2 IC50 = 43.6 nM 374.4 NC(=O)c1cncc(OCc2cccc(NC(=O)/C=C/c3ccncc3)c2)c1 Homo sapiens CHEMBL3806935 assay format
CHEMBL3805630 OBDepict O HN N N O N O NH 2 IC50 = 44.7 nM 413.44 NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(-n4cccn4)cc3)c2)c1 Homo sapiens CHEMBL3806935 assay format
CHEMBL3805492 OBDepict O N H F O N N O NH 2 IC50 = 46.0 nM 442.45 NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(-c4ccncc4)c(F)c3)c2)c1 Homo sapiens CHEMBL3806935 assay format
CHEMBL3804908 OBDepict O HN N S O N O NH 2 IC50 = 46.0 nM 430.49 NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(-c4nccs4)cc3)c2)c1 Homo sapiens CHEMBL3806935 assay format
CHEMBL3805694 OBDepict O N H N O N O NH 2 IC50 = 46.8 nM 424.46 NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(-c4ccccc4)nc3)c2)c1 Homo sapiens CHEMBL3806935 assay format
CHEMBL3805304 OBDepict O N H O NH 2 O N O H 2 N IC50 = 47.8 nM 390.4 NC(=O)c1ccc(C(=O)Nc2cccc(COc3cncc(C(N)=O)c3)c2)cc1 Homo sapiens CHEMBL3806935 assay format
CHEMBL3343652 OBDepict O N H O N O NH 2 IC50 = 48.3 nM 383.41 NC(=O)c1cncc(Oc2cccc3c(NC(=O)c4ccccc4)cccc23)c1 Homo sapiens CHEMBL3383626 cell-based format
CHEMBL3805427 OBDepict CH 3 HN O N H O O N O H 2 N IC50 = 48.6 nM 404.43 CC(=O)Nc1ccc(C(=O)Nc2cccc(COc3cncc(C(N)=O)c3)c2)cc1 Homo sapiens CHEMBL3806935 assay format
CHEMBL3940508 OBDepict H 3 C NH S N H NH O O O IC50 = 50.0 nM 567.84 CCCCCCCCCCCCCC(=S)NCCCCC(NC(=O)Oc1ccccc1)C(=O)Nc1ccccc1 Homo sapiens CHEMBL3888538 single protein format
CHEMBL2338811 OBDepict H 2 N O S N N N N HN S O O CH 3 IC50 = 53.0 nM 384.49 CS(=O)(=O)NCCN1CCN(c2ncnc3cc(C(N)=O)sc23)CC1 Homo sapiens CHEMBL2341151 single protein format
CHEMBL4456262 OBDepict CH 3 NH NH S N H H N H O O O OH IC50 = 60.0 nM 598.85 CCCCCCCCCCCCNC(=S)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1cccc(O)c1 Homo sapiens CHEMBL4433520 assay format
CHEMBL4437455 OBDepict H 3 C HN HN S N H H N H O O O IC50 = 61.0 nM 526.75 CCCCCCCCNC(=S)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccccc1 Homo sapiens CHEMBL4433520 assay format
CHEMBL3805130 OBDepict O HN O O N O NH 2 IC50 = 64.7 nM 387.4 NC(=O)c1cncc(OCc2cccc(NC(=O)c3cc4ccccc4o3)c2)c1 Homo sapiens CHEMBL3806935 assay format
CHEMBL2338813 OBDepict H 2 N O S N N N N IC50 = 67.0 nM 359.5 NC(=O)c1cc2ncnc(N3CCC(CCN4CCCC4)CC3)c2s1 Homo sapiens CHEMBL2341151 single protein format
CHEMBL4465620 OBDepict O N H N H H O NH S HN O NH O Ki = 68.0 nM 573.72 O=C1CNC(=O)[C@H](CCCCNC(=S)CNC(=O)c2ccccc2Nc2cccc(OCCc3ccccc3)c2)N1 Homo sapiens CHEMBL4353613 assay format
CHEMBL3805464 OBDepict NH 2 O N O HN O N H IC50 = 71.4 nM 386.41 NC(=O)c1cncc(OCc2cccc(NC(=O)c3cc4ccccc4[nH]3)c2)c1 Homo sapiens CHEMBL3806935 assay format
CHEMBL3805650 OBDepict F HN O O N O H 2 N IC50 = 75.4 nM 365.36 NC(=O)c1cncc(OCc2cccc(NC(=O)c3cccc(F)c3)c2)c1 Homo sapiens CHEMBL3806935 assay format
CHEMBL3343653 OBDepict CH 3 N H O O N O H 2 N IC50 = 77.4 nM 397.43 Cc1ccc(C(=O)Nc2cccc3c(Oc4cncc(C(N)=O)c4)cccc23)cc1 Homo sapiens CHEMBL3383626 cell-based format
CHEMBL4463565 OBDepict CH 3 NH NH S N H H N H O O O IC50 = 81.0 nM 582.86 CCCCCCCCCCCCNC(=S)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccccc1 Homo sapiens CHEMBL4433520 assay format
CHEMBL3805778 OBDepict H 2 N O N O NH O N H IC50 = 83.1 nM 386.41 NC(=O)c1cncc(OCc2cccc(NC(=O)c3c[nH]c4ccccc34)c2)c1 Homo sapiens CHEMBL3806935 assay format
CHEMBL3805224 OBDepict O N H CH 3 CH 3 O N O H 2 N IC50 = 94.7 nM 389.46 CC(C)c1ccc(C(=O)Nc2cccc(COc3cncc(C(N)=O)c3)c2)cc1 Homo sapiens CHEMBL3806935 assay format
CHEMBL3805035 OBDepict O HN N O N O NH 2 IC50 = 98.2 nM 416.48 NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(N4CCCC4)cc3)c2)c1 Homo sapiens CHEMBL3806935 assay format
CHEMBL3805267 OBDepict CH 3 O O N H O O N O NH 2 IC50 = 102.0 nM 405.41 COC(=O)c1ccc(C(=O)Nc2cccc(COc3cncc(C(N)=O)c3)c2)cc1 Homo sapiens CHEMBL3806935 assay format
CHEMBL3805107 OBDepict CH 3 N H N H O O N O H 2 N IC50 = 104.0 nM 390.44 CCNc1ccc(C(=O)Nc2cccc(COc3cncc(C(N)=O)c3)c2)cc1 Homo sapiens CHEMBL3806935 assay format
CHEMBL3805478 OBDepict O N H + N CH 3 O _ O O N O H 2 N IC50 = 107.0 nM 406.4 Cc1ccc(C(=O)Nc2cccc(COc3cncc(C(N)=O)c3)c2)cc1[N+](=O)[O-] Homo sapiens CHEMBL3806935 assay format
CHEMBL2332046 OBDepict NH 2 N N S N O H 2 N IC50 = 110.0 nM 305.41 NCCC1CCN(c2ncnc3cc(C(N)=O)sc23)CC1 Homo sapiens CHEMBL2341151 single protein format
CHEMBL3806092 OBDepict CH 3 N H O O N O H 2 N IC50 = 111.0 nM 361.4 Cc1ccc(C(=O)Nc2cccc(COc3cncc(C(N)=O)c3)c2)cc1 Homo sapiens CHEMBL3806935 assay format
CHEMBL3805538 OBDepict O N H N O HN N O NH 2 IC50 = 112.0 nM 431.5 NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(N4CCNCC4)cc3)c2)c1 Homo sapiens CHEMBL3806935 assay format
CHEMBL3806033 OBDepict O N H CH 3 H 3 C CH 3 O N O H 2 N IC50 = 113.0 nM 403.48 CC(C)(C)c1ccc(C(=O)Nc2cccc(COc3cncc(C(N)=O)c3)c2)cc1 Homo sapiens CHEMBL3806935 assay format
CHEMBL3972352 OBDepict CH 3 HN S N H HN O O O IC50 = 120.0 nM 469.65 CCCCCCC(=S)NCCCCC(NC(=O)Oc1ccccc1)C(=O)Nc1ccccc1 Homo sapiens CHEMBL3888538 single protein format
CHEMBL4466240 OBDepict CH 3 NH NH S N H H N H O O O OH IC50 = 120.0 nM 542.75 CCCCCCCCNC(=S)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1cccc(O)c1 Homo sapiens CHEMBL4433520 assay format
CHEMBL4227437 OBDepict CH 3 O N N N O S N N H O S N N H 3 C H 3 C IC50 = 120.0 nM 525.66 COCCn1cc(COc2cccc(Cc3cnc(NC(=O)CSc4nc(C)cc(C)n4)s3)c2)nn1 Homo sapiens CHEMBL4219421 assay format
CHEMBL2332053 OBDepict CH 3 HN S N N N S N O H 2 N IC50 = 130.0 nM 364.5 CC(=S)NCCN1CCN(c2ncnc3cc(C(N)=O)sc23)CC1 Homo sapiens CHEMBL2341151 single protein format
CHEMBL2338818 OBDepict O HN H 3 C H 3 C CH 3 N N S N CH 3 O H 2 N IC50 = 130.0 nM 403.55 Cc1c(C(N)=O)sc2c(N3CCC(CCNC(=O)C(C)(C)C)CC3)ncnc12 Homo sapiens CHEMBL2341151 single protein format
CHEMBL3805306 OBDepict O N H O N O NH 2 IC50 = 133.0 nM 429.52 NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(C4CCCCC4)cc3)c2)c1 Homo sapiens CHEMBL3806935 assay format
CHEMBL3806073 OBDepict O N H O O N O NH 2 IC50 = 138.0 nM 453.5 NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(OCc4ccccc4)cc3)c2)c1 Homo sapiens CHEMBL3806935 assay format
CHEMBL4437014 OBDepict H 3 C HN HN S N H H N H O O O IC50 = 150.0 nM 554.8 CCCCCCCCCCNC(=S)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccccc1 Homo sapiens CHEMBL4433520 assay format
CHEMBL2338815 OBDepict O HN CH 3 H 3 C CH 3 N N O N O H 2 N IC50 = 150.0 nM 373.46 CC(C)(C)C(=O)NCCC1CCN(c2ncnc3cc(C(N)=O)oc23)CC1 Homo sapiens CHEMBL2341151 single protein format
CHEMBL3806238 OBDepict CH 3 N H O O N O NH 2 IC50 = 151.0 nM 375.43 CCc1ccc(C(=O)Nc2cccc(COc3cncc(C(N)=O)c3)c2)cc1 Homo sapiens CHEMBL3806935 assay format
CHEMBL3804923 OBDepict O NH O N O NH 2 IC50 = 156.0 nM 373.41 NC(=O)c1cncc(OCc2cccc(NC(=O)/C=C/c3ccccc3)c2)c1 Homo sapiens CHEMBL3806935 assay format
CHEMBL3805890 OBDepict O NH N O N O NH 2 IC50 = 157.0 nM 374.4 NC(=O)c1cncc(OCc2cccc(NC(=O)/C=C/c3cccnc3)c2)c1 Homo sapiens CHEMBL3806935 assay format
CHEMBL4552464 OBDepict H 3 C HN N H S N H H N H O O O IC50 = 160.0 nM 512.72 CCCCCCCNC(=S)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccccc1 Homo sapiens CHEMBL4433520 assay format
CHEMBL4228286 OBDepict O N H S N S N N H 3 C CH 3 O N N N IC50 = 160.0 nM 557.71 Cc1cc(C)nc(SCC(=O)Nc2ncc(Cc3cccc(OCc4cn(Cc5ccccc5)nn4)c3)s2)n1 Homo sapiens CHEMBL4219421 assay format
CHEMBL3769975 OBDepict CH 3 O N N O S N H N IC50 = 170.0 nM 482.61 COc1ccc2ccccc2c1Cn1cnc2sc3c(c2c1=O)CCC(NCc1cccnc1)C3 Homo sapiens CHEMBL4005587 assay format
CHEMBL2332051 OBDepict CH 3 HN O N N N S N O H 2 N IC50 = 170.0 nM 348.43 CC(=O)NCCN1CCN(c2ncnc3cc(C(N)=O)sc23)CC1 Homo sapiens CHEMBL2341151 single protein format
CHEMBL3804859 OBDepict O N H N N O N O NH 2 IC50 = 171.0 nM 349.35 NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccnnc3)c2)c1 Homo sapiens CHEMBL3806935 assay format
CHEMBL3347530 OBDepict H 3 C O HO O O O HO CH 3 IC50 = 176.0 nM 568.88 CCCCCCCCCCC[C@]1(CO)CCCC(=O)O[C@](CO)(CCCCCCCCCCC)CCCC(=O)O1 Homo sapiens CHEMBL3391506 single protein format
CHEMBL3770049 OBDepict O N H S N S N N H 3 C CH 3 Cl IC50 = 180.0 nM 455.01 Cc1cc(C)nc(SCC(=O)Nc2ncc(Cc3cccc4ccc(Cl)cc34)s2)n1 Homo sapiens CHEMBL3773441 single protein format
CHEMBL3962289 OBDepict CH 3 H NH O NH O H O N H H N H HN O H 2 N O S CH 3 IC50 = 180.0 nM 540.73 CCCC[C@@H]1NC(=O)CCCCCCC(=O)NC[C@@H](C(N)=O)NC(=O)[C@H](CCCCNC(C)=S)NC1=O Homo sapiens CHEMBL3861623 single protein format
CHEMBL4457681 OBDepict O NH N N N H H N H O O O CH 3 H O NH 2 OH IC50 = 190.0 nM 588.67 C[C@H](NC(=O)[C@H](CCCCNC(=O)Cc1ccc(/N=N/c2ccc(O)cc2)cc1)NC(=O)OCc1ccccc1)C(N)=O Homo sapiens CHEMBL4305697 single protein format
CHEMBL3806063 OBDepict O N H N O N O NH 2 IC50 = 193.0 nM 348.36 NC(=O)c1cncc(OCc2cccc(NC(=O)c3cccnc3)c2)c1 Homo sapiens CHEMBL3806935 assay format
CHEMBL3804901 OBDepict O N H O O N O NH 2 IC50 = 196.0 nM 439.47 NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(Oc4ccccc4)cc3)c2)c1 Homo sapiens CHEMBL3806935 assay format
CHEMBL4288567 OBDepict H 3 C HN N H O N H H N H O O O IC50 = 200.0 nM 496.65 CCCCCCCNC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccccc1 Homo sapiens CHEMBL4256972 single protein format
CHEMBL3771286 OBDepict O N H S N S N N H 3 C CH 3 Br IC50 = 210.0 nM 499.46 Cc1cc(C)nc(SCC(=O)Nc2ncc(Cc3cccc4ccc(Br)cc34)s2)n1 Homo sapiens CHEMBL3773441 single protein format
CHEMBL3805574 OBDepict CH 3 N H N H O O N O NH 2 IC50 = 216.0 nM 376.42 CNc1ccc(C(=O)Nc2cccc(COc3cncc(C(N)=O)c3)c2)cc1 Homo sapiens CHEMBL3806935 assay format
CHEMBL2338812 OBDepict H 2 N O S N N N N IC50 = 220.0 nM 345.47 NC(=O)c1cc2ncnc(N3CCC(CN4CCCC4)CC3)c2s1 Homo sapiens CHEMBL2341151 single protein format
CHEMBL3917969 OBDepict CH 3 H HN O N H O H O N H H N H O NH 2 O NH S CH 3 IC50 = 220.0 nM 568.79 CCCC[C@@H]1NC(=O)CCCCCCC(=O)NCCC[C@@H](C(N)=O)NC(=O)[C@H](CCCCNC(C)=S)NC1=O Homo sapiens CHEMBL3861623 single protein format