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Q96EB6 | SIR1_HUMAN | NAD-dependent protein deacetylase sirtuin-1 (SIRT1)

3D structures mapped by conservation among orthologs

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

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[ Domain: "DHS-like NAD/FAD-binding domain" // SIR2_2nd_1,SIR2_1st ]

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[ Domain: "Rubredoxin-related" // SIR2_2nd_1 ]

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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
CHEMBL2332039 OBDepict H 3 C N H O S N H O N N S N O H 2 N IC50 = 3.6 nM 486.62 CCNC(=O)c1ccc(C(=O)NCCC2CCN(c3ncnc4cc(C(N)=O)sc34)CC2)s1 Homo sapiens CHEMBL2341152 single protein format
CHEMBL2338810 OBDepict H 2 N O S N N N HN S O O CH 3 IC50 = 4.3 nM 383.5 CS(=O)(=O)NCCC1CCN(c2ncnc3cc(C(N)=O)sc23)CC1 Homo sapiens CHEMBL2341152 single protein format
CHEMBL2332037 OBDepict CH 3 N H O N H O N N S N O H 2 N IC50 = 5.3 nM 480.59 CCNC(=O)c1cccc(C(=O)NCCC2CCN(c3ncnc4cc(C(N)=O)sc34)CC2)c1 Homo sapiens CHEMBL2341152 single protein format
CHEMBL2332043 OBDepict O N H S N N S N O H 2 N IC50 = 5.8 nM 415.54 NC(=O)c1cc2ncnc(N3CCC(CCNC(=O)c4cccs4)CC3)c2s1 Homo sapiens CHEMBL2341152 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 = 6.7 nM 515.66 CC(C)(C)OC(=O)c1ccc(C(=O)NCCC2CCN(c3ncnc4cc(C(N)=O)sc34)CC2)s1 Homo sapiens CHEMBL2341152 single protein format
CHEMBL2332042 OBDepict O N H S O HO N N S N O H 2 N IC50 = 14.0 nM 459.55 NC(=O)c1cc2ncnc(N3CCC(CCNC(=O)c4ccc(C(=O)O)s4)CC3)c2s1 Homo sapiens CHEMBL2341152 single protein format
CHEMBL2332055 OBDepict O HN CH 3 H 3 C CH 3 N N S N O H 2 N IC50 = 15.0 nM 389.53 CC(C)(C)C(=O)NCCC1CCN(c2ncnc3cc(C(N)=O)sc23)CC1 Homo sapiens CHEMBL2341152 single protein format
CHEMBL2332044 OBDepict O O HN CH 3 CH 3 CH 3 N N S N O H 2 N IC50 = 17.0 nM 405.52 CC(C)(C)OC(=O)NCCC1CCN(c2ncnc3cc(C(N)=O)sc23)CC1 Homo sapiens CHEMBL2341152 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 = 31.0 nM 487.61 CCNC(=O)c1ccc(C(=O)NCCN2CCN(c3ncnc4cc(C(N)=O)sc34)CC2)s1 Homo sapiens CHEMBL2341152 single protein format
CHEMBL2338808 OBDepict O NH CH 3 CH 3 CH 3 N N S N O H 2 N IC50 = 42.0 nM 403.55 CC(C)(C)C(=O)NCCCC1CCN(c2ncnc3cc(C(N)=O)sc23)CC1 Homo sapiens CHEMBL2341152 single protein format
CHEMBL2338814 OBDepict H 2 N O S N N N N N IC50 = 53.0 nM 360.49 NC(=O)c1cc2ncnc(N3CCN(CCN4CCCC4)CC3)c2s1 Homo sapiens CHEMBL2341152 single protein format
CHEMBL2332052 OBDepict CH 3 HN S N N S N O H 2 N IC50 = 56.0 nM 363.51 CC(=S)NCCC1CCN(c2ncnc3cc(C(N)=O)sc23)CC1 Homo sapiens CHEMBL2341152 single protein format
CHEMBL2338816 OBDepict O HN CH 3 H 3 C CH 3 N S N O H 2 N IC50 = 59.0 nM 388.54 CC(C)(C)C(=O)NCCC1CCN(c2ccnc3cc(C(N)=O)sc23)CC1 Homo sapiens CHEMBL2341152 single protein format
CHEMBL198609 OBDepict H 2 N O H N H Cl IC50 = 63.0 nM 262.74 NC(=O)[C@H]1CCCCc2c1[nH]c1ccc(Cl)cc21 Homo sapiens CHEMBL859689 assay format
CHEMBL2332038 OBDepict CH 3 N H O N H O N N N S N O H 2 N IC50 = 67.0 nM 481.58 CCNC(=O)c1cccc(C(=O)NCCN2CCN(c3ncnc4cc(C(N)=O)sc34)CC2)c1 Homo sapiens CHEMBL2341152 single protein format
CHEMBL2312289 OBDepict NH 2 O H N H Cl IC50 = 98.0 nM 248.71 NC(=O)[C@@H]1CCCc2c1[nH]c1ccc(Cl)cc21 Homo sapiens CHEMBL2317034 single protein format
CHEMBL420311 OBDepict H 2 N O N H Cl IC50 = 98.0 nM 248.71 NC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21 Homo sapiens CHEMBL859689 assay format
CHEMBL1797750 OBDepict CH 3 O HN CH 3 IC50 = 98.0 nM 301.39 Cc1ccc(C2CC(=O)Nc3ccc4cc(C)ccc4c32)cc1 Homo sapiens CHEMBL1799843 single protein format
CHEMBL1410976 OBDepict CH 3 O OH Br O O O O Ki = 100.0 nM 405.2 COc1cc(C=C2C(=O)OC(c3ccccc3)OC2=O)cc(Br)c1O Homo sapiens CHEMBL4689718 assay format
CHEMBL4787472 OBDepict H 3 C S N O N N N S N H IC50 = 100.0 nM 469.6 CCC(Sc1nnc2c(n1)[nH]c1ccccc12)C(=O)N1c2ccccc2Sc2ccccc21 Homo sapiens CHEMBL4689732 assay format
CHEMBL2332045 OBDepict CH 3 HN O N N S N O H 2 N IC50 = 110.0 nM 347.44 CC(=O)NCCC1CCN(c2ncnc3cc(C(N)=O)sc23)CC1 Homo sapiens CHEMBL2341152 single protein format
CHEMBL1450796 OBDepict CH 3 N N N CH 3 N O N H 3 C O IC50 = 110.0 nM 283.29 Cc1ccc(-c2nc3c(=O)n(C)c(=O)nc-3n(C)n2)cc1 Homo sapiens CHEMBL3856343 single protein format
CHEMBL2338813 OBDepict H 2 N O S N N N N IC50 = 110.0 nM 359.5 NC(=O)c1cc2ncnc(N3CCC(CCN4CCCC4)CC3)c2s1 Homo sapiens CHEMBL2341152 single protein format
CHEMBL3986181 OBDepict CH 3 N N N CH 3 N O N H 3 C O IC50 = 110.0 nM 249.27 CCCCc1nc2c(=O)n(C)c(=O)nc-2n(C)n1 Homo sapiens CHEMBL3856343 single protein format
CHEMBL420311 OBDepict H 2 N O N H Cl Ki = 114.0 nM 248.71 NC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21 Homo sapiens CHEMBL4835780 assay format
CHEMBL2338809 OBDepict NH 2 O S N N N N NH O CH 3 H 3 C CH 3 IC50 = 120.0 nM 390.51 CC(C)(C)C(=O)NCCN1CCN(c2ncnc3cc(C(N)=O)sc23)CC1 Homo sapiens CHEMBL2341152 single protein format
CHEMBL446446 OBDepict NH 2 O N H Cl IC50 = 124.0 nM 262.74 NC(=O)C1CCCCc2c1[nH]c1ccc(Cl)cc21 Homo sapiens CHEMBL859689 assay format
CHEMBL3933232 OBDepict H 3 C N CH 3 N O N H Cl IC50 = 149.0 nM 303.79 CN(C)/C=N/C(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21 Homo sapiens CHEMBL3856332 single protein format
CHEMBL4858009 OBDepict NH 2 O O N + N O _ O IC50 = 150.0 nM 313.31 NC(=O)C1CN(Cc2ccccc2[N+](=O)[O-])c2ccccc2O1 Homo sapiens CHEMBL4835773 assay format
CHEMBL597477 OBDepict NH 2 O H N H Cl IC50 = 160.0 nM 248.71 NC(=O)[C@H]1CCCc2c1[nH]c1ccc(Cl)cc21 Homo sapiens CHEMBL1069455 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 = 180.0 nM 403.55 Cc1c(C(N)=O)sc2c(N3CCC(CCNC(=O)C(C)(C)C)CC3)ncnc12 Homo sapiens CHEMBL2341152 single protein format
CHEMBL115600 OBDepict NH 2 O N H CH 3 IC50 = 205.0 nM 228.29 Cc1ccc2[nH]c3c(c2c1)CCCC3C(N)=O Homo sapiens CHEMBL859689 assay format
CHEMBL4855963 OBDepict N N O O NH 2 IC50 = 220.0 nM 293.33 N#Cc1ccccc1CN1CC(C(N)=O)Oc2ccccc21 Homo sapiens CHEMBL4835773 assay format
CHEMBL3889954 OBDepict H 3 C H NH O N H O H O N H H HN O H 2 N O HN S CH 3 IC50 = 220.0 nM 582.81 CCCC[C@@H]1NC(=O)CCCCCCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](CCCCNC(C)=S)NC1=O Homo sapiens CHEMBL3861622 single protein format
CHEMBL492925 OBDepict H 3 C H 3 C H N H H O OH O N H H HO CH 3 H O HN H O HN CH 3 H HN O H 2 N H S CH 3 OH IC50 = 220.0 nM 576.72 CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)[C@@H](C)O)C(=O)O Homo sapiens CHEMBL1017160 single protein format
CHEMBL4876032 OBDepict NH 2 O O N + N O _ O IC50 = 230.0 nM 313.31 NC(=O)C1CN(Cc2cccc([N+](=O)[O-])c2)c2ccccc2O1 Homo sapiens CHEMBL4835773 assay format
CHEMBL3805950 OBDepict O NH N O N N O NH 2 IC50 = 237.0 nM 413.44 NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(-n4ccnc4)cc3)c2)c1 Homo sapiens CHEMBL3806934 assay format
CHEMBL2417696 OBDepict CH 3 N H S N H H N H O O H N O H HO O O IC50 = 240.0 nM 568.7 CC(=S)NCCCC[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1)C(=O)NCC(=O)c1ccccc1 Homo sapiens CHEMBL2423004 single protein format
CHEMBL1254032 OBDepict H 3 C N H S N H H N H O O H 3 C H NH H 3 C H O OH O CH 3 IC50 = 240.0 nM 388.49 CC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCNC(C)=S)C(=O)N[C@@H](C)C(=O)O Homo sapiens CHEMBL1252001 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 = 270.0 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 CHEMBL3861622 single protein format
CHEMBL4858009 OBDepict NH 2 O O N + N O _ O Ki = 285.0 nM 313.31 NC(=O)C1CN(Cc2ccccc2[N+](=O)[O-])c2ccccc2O1 Homo sapiens CHEMBL4835780 assay format
CHEMBL3972352 OBDepict CH 3 HN S N H HN O O O IC50 = 310.0 nM 469.65 CCCCCCC(=S)NCCCCC(NC(=O)Oc1ccccc1)C(=O)Nc1ccccc1 Homo sapiens CHEMBL3888537 single protein format
CHEMBL521807 OBDepict H 2 N H 2 N H N H O H NH O H N H O N H H 3 C CH 3 H S H 3 C O OH S CH 3 IC50 = 330.0 nM 576.83 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@@H](N)CCCCN)C(=O)O Homo sapiens CHEMBL1017160 single protein format
CHEMBL3804834 OBDepict O HN N O N N N O NH 2 IC50 = 367.0 nM 414.43 NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(-n4cnnc4)cc3)c2)c1 Homo sapiens CHEMBL3806934 assay format
CHEMBL1835301 OBDepict CH 3 N H S N H H N H O O CH 3 H H N O HO O CH 3 IC50 = 370.0 nM 414.53 CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCNC(C)=S)C(=O)N[C@@H](C)C(=O)O Homo sapiens CHEMBL1839551 single protein format
CHEMBL1254033 OBDepict H 3 C N H . Se N H H N H O O H 3 C H NH H 3 C H O OH O CH 3 IC50 = 370.0 nM 435.38 CC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCNC(C)=[Se])C(=O)N[C@@H](C)C(=O)O Homo sapiens CHEMBL1252001 single protein format
CHEMBL2338811 OBDepict H 2 N O S N N N N HN S O O CH 3 IC50 = 380.0 nM 384.49 CS(=O)(=O)NCCN1CCN(c2ncnc3cc(C(N)=O)sc23)CC1 Homo sapiens CHEMBL2341152 single protein format
CHEMBL4855963 OBDepict N N O O NH 2 Ki = 400.0 nM 293.33 N#Cc1ccccc1CN1CC(C(N)=O)Oc2ccccc21 Homo sapiens CHEMBL4835780 assay format
CHEMBL1835296 OBDepict CH 3 N H O N H H 3 C H O HN H O HN CH 3 H HN O CH 3 S CH 3 IC50 = 400.0 nM 401.53 CNC(=O)[C@H](C)NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](C)NC(C)=O Homo sapiens CHEMBL1839551 single protein format
CHEMBL199063 OBDepict NH 2 O N H Cl IC50 = 409.0 nM 234.69 NC(=O)C1CCc2c1[nH]c1ccc(Cl)cc21 Homo sapiens CHEMBL859689 assay format
CHEMBL4846832 OBDepict N N O O NH 2 IC50 = 430.0 nM 293.33 N#Cc1cccc(CN2CC(C(N)=O)Oc3ccccc32)c1 Homo sapiens CHEMBL4835773 assay 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 = 450.0 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 CHEMBL3861622 single protein format
CHEMBL4574578 OBDepict CH 3 NH NH S N H H N H O O O OH IC50 = 450.0 nM 570.8 CCCCCCCCCCNC(=S)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1cccc(O)c1 Homo sapiens CHEMBL4433521 single protein format
CHEMBL4784896 OBDepict O O O O I I OH IC50 = 460.0 nM 548.07 O=C1OC(c2ccccc2)OC(=O)C1=Cc1cc(I)c(O)c(I)c1 Homo sapiens CHEMBL4689706 assay format
CHEMBL4847946 OBDepict H 2 N O O N I IC50 = 470.0 nM 394.21 NC(=O)C1CN(Cc2ccccc2I)c2ccccc2O1 Homo sapiens CHEMBL4835773 assay format
CHEMBL2338815 OBDepict O HN CH 3 H 3 C CH 3 N N O N O H 2 N IC50 = 470.0 nM 373.46 CC(C)(C)C(=O)NCCC1CCN(c2ncnc3cc(C(N)=O)oc23)CC1 Homo sapiens CHEMBL2341152 single protein format
CHEMBL492308 OBDepict H 2 N N H H N H O O H H 2 N H N H O N H N H O OH NH H 3 C CH 3 S CH 3 IC50 = 480.0 nM 582.77 CC(=S)NCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)O Homo sapiens CHEMBL1017160 single protein format
CHEMBL3805929 OBDepict O N H N H N O N O NH 2 IC50 = 483.0 nM 387.4 NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc4cn[nH]c4c3)c2)c1 Homo sapiens CHEMBL3806934 assay format
CHEMBL2338817 OBDepict O HN CH 3 H 3 C CH 3 N N S O H 2 N IC50 = 490.0 nM 388.54 CC(C)(C)C(=O)NCCC1CCN(c2nccc3cc(C(N)=O)sc23)CC1 Homo sapiens CHEMBL2341152 single protein format
CHEMBL4871919 OBDepict H 3 C O O N O O NH 2 IC50 = 490.0 nM 326.35 COC(=O)c1ccccc1CN1CC(C(N)=O)Oc2ccccc21 Homo sapiens CHEMBL4835773 assay format
CHEMBL2332053 OBDepict CH 3 HN S N N N S N O H 2 N IC50 = 490.0 nM 364.5 CC(=S)NCCN1CCN(c2ncnc3cc(C(N)=O)sc23)CC1 Homo sapiens CHEMBL2341152 single protein format
CHEMBL4741089 OBDepict H 3 C NH S N H H N H O O O H HN O H 3 C CH 3 N H IC50 = 510.0 nM 579.77 CCC(=S)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC(C)C Homo sapiens CHEMBL4730796 assay format
CHEMBL4788047 OBDepict H 3 C HN S N H H N H O O O H NH O CH 3 H 3 C N H IC50 = 540.0 nM 593.79 CCCC(=S)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC(C)C Homo sapiens CHEMBL4730796 assay format
CHEMBL4874547 OBDepict H 2 N O O N Br IC50 = 560.0 nM 347.21 NC(=O)C1CN(Cc2ccccc2Br)c2ccccc2O1 Homo sapiens CHEMBL4835773 assay format
CHEMBL492309 OBDepict NH 2 NH 2 H N H O H NH O H O OH N H CH 3 H 3 C S CH 3 IC50 = 570.0 nM 445.63 CC(=S)NCCCC[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)O Homo sapiens CHEMBL1017160 single protein format
CHEMBL1576457 OBDepict N N S N N N O Ki = 600.0 nM 269.29 c1ccc(-c2nn3c(-c4ccco4)nnc3s2)nc1 Homo sapiens CHEMBL3364860 assay format
CHEMBL4740302 OBDepict O O O O I O OH IC50 = 610.0 nM 528.3 O=C1OC(c2ccccc2)OC(=O)C1=Cc1cc(I)c(O)c(OCc2ccccc2)c1 Homo sapiens CHEMBL4689706 assay format
CHEMBL4869997 OBDepict CH 3 N H O S N N O O NH 2 IC50 = 620.0 nM 332.39 CC(=O)Nc1nc(CN2CC(C(N)=O)Oc3ccccc32)cs1 Homo sapiens CHEMBL4835773 assay format
CHEMBL3608440 OBDepict CH 3 N H H O H 2 N O NH H O N H H N H O CH 3 S CH 3 N H O H 3 C IC50 = 630.0 nM 528.72 CCCC[C@H](NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](CCCCNC(C)=O)NC(C)=O)C(N)=O Homo sapiens CHEMBL3610046 single protein format
CHEMBL611953 OBDepict NH 2 O N H CH 3 IC50 = 640.0 nM 242.32 Cc1ccc2[nH]c3c(c2c1)CCCCC3C(N)=O Homo sapiens CHEMBL1067345 cell-based format
CHEMBL1835298 OBDepict H 3 C NH S HN H N H O O CH 3 H NH 2 CH 3 H O HO IC50 = 660.0 nM 346.45 CC(=S)NCCCC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](C)C(=O)O Homo sapiens CHEMBL1839551 single protein format
CHEMBL4863826 OBDepict H 2 N O O N Cl IC50 = 670.0 nM 302.76 NC(=O)C1CN(Cc2ccccc2Cl)c2ccccc2O1 Homo sapiens CHEMBL4835773 assay format
CHEMBL3805427 OBDepict CH 3 HN O N H O O N O H 2 N IC50 = 672.0 nM 404.43 CC(=O)Nc1ccc(C(=O)Nc2cccc(COc3cncc(C(N)=O)c3)c2)cc1 Homo sapiens CHEMBL3806934 assay format
CHEMBL4790009 OBDepict O O O O Br O OH IC50 = 680.0 nM 481.3 O=C1OC(c2ccccc2)OC(=O)C1=Cc1cc(Br)c(O)c(OCc2ccccc2)c1 Homo sapiens CHEMBL4689706 assay format
CHEMBL1254613 OBDepict CH 3 CH 3 N H S HN H N H O O CH 3 H HN CH 3 H O HO O CH 3 IC50 = 700.0 nM 430.57 CC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCNC(=S)CC(C)C)C(=O)N[C@@H](C)C(=O)O Homo sapiens CHEMBL1252001 single protein format
CHEMBL4743671 OBDepict O O O O Br Br OH IC50 = 700.0 nM 454.07 O=C1OC(c2ccccc2)OC(=O)C1=Cc1cc(Br)c(O)c(Br)c1 Homo sapiens CHEMBL4689706 assay format
CHEMBL2338812 OBDepict H 2 N O S N N N N IC50 = 730.0 nM 345.47 NC(=O)c1cc2ncnc(N3CCC(CN4CCCC4)CC3)c2s1 Homo sapiens CHEMBL2341152 single protein format
CHEMBL382277 OBDepict H 2 N O N H Cl IC50 = 760.0 nM 250.73 NC(=O)C1CCCC2c3cc(Cl)ccc3NC12 Homo sapiens CHEMBL3226298 single protein format
CHEMBL1835302 OBDepict CH 3 HN S N H H NH O O H 3 C H N H CH 3 H O OH O O H 3 C CH 3 H 3 C IC50 = 770.0 nM 446.57 CC(=S)NCCCC[C@H](NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)O Homo sapiens CHEMBL1839551 single protein format
CHEMBL3343532 OBDepict O N H + N CH 3 O _ O O N O H 2 N IC50 = 788.0 nM 442.43 Cc1ccc(C(=O)Nc2cccc3cc(Oc4cncc(C(N)=O)c4)ccc23)cc1[N+](=O)[O-] Homo sapiens CHEMBL3383625 cell-based format
CHEMBL2314710 OBDepict OH OH O O HO Ki = 800.0 nM 270.24 O=C(c1cc(O)ccc1O)c1coc2ccc(O)cc12 Homo sapiens CHEMBL2317543 assay format
CHEMBL3427770 OBDepict NH 2 O N H 3 C CH 3 H N Cl IC50 = 800.0 nM 303.79 CC1(C)Cc2c(-c3ccc(Cl)cc3)n[nH]c2C(C(N)=O)C1 Homo sapiens CHEMBL3429766 assay format
CHEMBL3934785 OBDepict CH 3 H HN O HN O H O N H H HN O NH 2 NH O S H 3 C IC50 = 820.0 nM 554.76 CCCC[C@@H]1NC(=O)CCCCCCC(=O)NCC[C@@H](C(N)=O)NC(=O)[C@H](CCCCNC(C)=S)NC1=O Homo sapiens CHEMBL3861622 single protein format
CHEMBL4876979 OBDepict H 2 N O O N OH IC50 = 820.0 nM 284.31 NC(=O)C1CN(Cc2ccccc2O)c2ccccc2O1 Homo sapiens CHEMBL4835773 assay format
CHEMBL578512 OBDepict O N N H 3 C N O CH 3 N N IC50 = 870.0 nM 193.17 Cn1ncnc2c(=O)n(C)c(=O)nc1-2 Homo sapiens CHEMBL3856343 single protein format
CHEMBL2417682 OBDepict CH 3 O O N H O NH H O O N H S CH 3 IC50 = 890.0 nM 485.61 COc1ccc(C(=O)CNC(=O)[C@H](CCCCNC(C)=S)NC(=O)OCc2ccccc2)cc1 Homo sapiens CHEMBL2423004 single protein format
CHEMBL4800545 OBDepict CH 3 O OH I O O O O IC50 = 890.0 nM 452.2 COc1cc(C=C2C(=O)OC(c3ccccc3)OC2=O)cc(I)c1O Homo sapiens CHEMBL4689706 assay format
CHEMBL1835308 OBDepict CH 3 N H S N H H HN O O CH 3 H H O HO N O O CH 3 CH 3 CH 3 IC50 = 970.0 nM 486.64 CC(=S)NCCCC[C@H](NC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C(=O)N[C@@H](C)C(=O)O Homo sapiens CHEMBL1839551 single protein format
CHEMBL4874493 OBDepict NH 2 O O N F F F IC50 = 970.0 nM 336.31 NC(=O)C1CN(Cc2ccccc2C(F)(F)F)c2ccccc2O1 Homo sapiens CHEMBL4835773 assay format
CHEMBL3806268 OBDepict O N H O N N O NH 2 IC50 = 974.0 nM 424.46 NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(-c4ccncc4)cc3)c2)c1 Homo sapiens CHEMBL3806934 assay format
CHEMBL4788926 OBDepict O HN O H N H O H NH O N H CH 3 H 3 C N S NH 2 H IC50 = 980.0 nM 566.73 CC(C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCNC(N)=S)NC(=O)OCc1ccccc1 Homo sapiens CHEMBL4730796 assay format
CHEMBL1835305 OBDepict O NH H N H O CH 3 H O OH HN S CH 3 IC50 = 990.0 nM 407.54 CC(=S)NCCCC[C@H](NC(=O)CCc1ccccc1)C(=O)N[C@@H](C)C(=O)O Homo sapiens CHEMBL1839551 single protein format
CHEMBL4466240 OBDepict CH 3 NH NH S N H H N H O O O OH IC50 = 1000.0 nM 542.75 CCCCCCCCNC(=S)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1cccc(O)c1 Homo sapiens CHEMBL4433521 single protein format
CHEMBL4456262 OBDepict CH 3 NH NH S N H H N H O O O OH IC50 = 1000.0 nM 598.85 CCCCCCCCCCCCNC(=S)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1cccc(O)c1 Homo sapiens CHEMBL4433521 single protein format
CHEMBL2177351 OBDepict Br OH O O IC50 = 1000.0 nM 317.14 O=C1/C(=C/c2cc(Br)ccc2O)Oc2ccccc21 Homo sapiens CHEMBL2184393 assay format
CHEMBL1835307 OBDepict O N H H NH O HO H 3 C H O HO N H S CH 3 IC50 = 1000.0 nM 423.54 CC(=S)NCCCC[C@H](NC(=O)CCc1ccccc1O)C(=O)N[C@@H](C)C(=O)O Homo sapiens CHEMBL1839551 single protein format
CHEMBL3427744 OBDepict NH 2 O N H N Cl IC50 = 1000.0 nM 275.74 NC(=O)C1CCCc2c(-c3ccc(Cl)cc3)n[nH]c21 Homo sapiens CHEMBL3429766 assay format
CHEMBL1835297 OBDepict CH 3 O O N H H 3 C H O HN H O HN CH 3 H HN O CH 3 S CH 3 IC50 = 1000.0 nM 402.52 COC(=O)[C@H](C)NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](C)NC(C)=O Homo sapiens CHEMBL1839551 single protein format