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Q92769 | HDAC2_HUMAN | Histone deacetylase 2 (HDAC2)

3D structures mapped by conservation among orthologs

[ Domain: "Arginase/deacetylase" // Hist_deacetyl ]

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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
CHEMBL343448 OBDepict H 3 C N H O NH O H N H H S CH 3 CH 3 O O S O H HN H H 3 C H 3 C O Ki = 0.038 nM 540.71 C/C=C1NC(=O)[C@H]2CSSCC/C=C/[C@H](CC(=O)N[C@H](C(C)C)C(=O)N2)OC(=O)[C@H](C(C)C)NC1=O Homo sapiens CHEMBL1216983 single protein format
CHEMBL2408247 OBDepict O OH Ki = 0.04 nM 190.24 O=c1cc(C2CCCC2)cccc1O Homo sapiens CHEMBL2410191 single protein format
CHEMBL2408242 OBDepict O OH Ki = 0.06 nM 198.22 O=c1cc(-c2ccccc2)cccc1O Homo sapiens CHEMBL2410191 single protein format
CHEMBL2105763 OBDepict HO NH O N N N NH N CH 3 Ki = 0.06 nM 394.48 Cn1cc(CNCC2CCN(c3ncc(C(=O)NO)cn3)CC2)c2ccccc21 Homo sapiens CHEMBL3598913 single protein format
CHEMBL314389 OBDepict OH HN O HN S O O Ki = 0.1 nM 342.38 O=C(/C=C/C#Cc1ccc(NS(=O)(=O)c2ccccc2)cc1)NO Homo sapiens CHEMBL3598913 single protein format
CHEMBL3086767 OBDepict CH 3 O HN O N H O IC50 = 0.112 nM 278.35 CCOC(=O)NCCCC(=O)NCCc1ccccc1 Homo sapiens CHEMBL3088540 single protein format
CHEMBL2408243 OBDepict H 3 C O O OH Ki = 0.12 nM 228.25 COc1ccc(-c2cccc(O)c(=O)c2)cc1 Homo sapiens CHEMBL2410191 single protein format
CHEMBL2408245 OBDepict O OH CH 3 CH 3 H 3 C Ki = 0.13 nM 178.23 CC(C)(C)c1cccc(O)c(=O)c1 Homo sapiens CHEMBL2410191 single protein format
CHEMBL4080164 OBDepict OH HN O N H CH 3 N H ClH IC50 = 0.18 nM 385.9 Cc1[nH]c2ccccc2c1CCNCc1cccc(/C=C/C(=O)NO)c1.Cl Homo sapiens CHEMBL4020981 single protein format
CHEMBL2408246 OBDepict CH 3 CH 3 O HO Ki = 0.22 nM 178.23 CCC(C)c1cccc(O)c(=O)c1 Homo sapiens CHEMBL2410191 single protein format
CHEMBL2408241 OBDepict CH 3 O O CH 3 O CH 3 O HO Ki = 0.23 nM 288.3 COc1ccc(-c2ccccc(O)c2=O)c(OC)c1OC Homo sapiens CHEMBL2410191 single protein format
CHEMBL2408238 OBDepict OH O Ki = 0.25 nM 248.28 O=c1c(O)ccccc1-c1ccc2ccccc2c1 Homo sapiens CHEMBL2410191 single protein format
CHEMBL2408237 OBDepict HO O Ki = 0.26 nM 198.22 O=c1c(O)ccccc1-c1ccccc1 Homo sapiens CHEMBL2410191 single protein format
CHEMBL4861467 OBDepict CH 3 O N H H N N H O H O H 3 C N N IC50 = 0.3 nM 571.77 CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(CC1CC1)CC2)c1ncc(-c2cc3cccnc3cc2OC)[nH]1 Homo sapiens CHEMBL4828008 cell-based format
CHEMBL2408240 OBDepict CH 3 O O CH 3 O HO Ki = 0.42 nM 258.27 COc1ccc(OC)c(-c2ccccc(O)c2=O)c1 Homo sapiens CHEMBL2410191 single protein format
CHEMBL4641682 OBDepict H 3 C N N H O H N N H F O N O IC50 = 0.47 nM 453.52 CN1CC(C(=O)N[C@@H](CCCCCC(=O)c2ccon2)c2ncc(-c3ccccc3F)[nH]2)C1 Homo sapiens CHEMBL4625802 cell-based format
CHEMBL2408244 OBDepict CH 3 O O CH 3 O HO Ki = 0.51 nM 258.27 COc1ccc(OC)c(-c2cccc(O)c(=O)c2)c1 Homo sapiens CHEMBL2410191 single protein format
CHEMBL4065026 OBDepict OH HN O S HN O O N CH 3 IC50 = 0.53 nM 399.47 Cn1ccc2c(CCNS(=O)(=O)c3ccc(/C=C/C(=O)NO)cc3)cccc21 Homo sapiens CHEMBL4020981 single protein format
CHEMBL4532398 OBDepict HO N H O N N N N N O NH N O O H H 3 C IC50 = 0.61 nM 566.66 C[C@@H]1CN(C(=O)Nc2ccc(-c3nc(N4CCOCC4)c4cnn(CCCCCCC(=O)NO)c4n3)cc2)CCO1 Homo sapiens CHEMBL4413540 assay format
CHEMBL483254 OBDepict OH NH O N H CH 3 N H Ki = 0.65 nM 349.43 Cc1[nH]c2ccccc2c1CCNCc1ccc(/C=C/C(=O)NO)cc1 Homo sapiens CHEMBL1216983 single protein format
CHEMBL4649205 OBDepict CH 3 O N H H N N H O H O N H 3 C N IC50 = 0.69 nM 571.77 CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(CC1CC1)CC2)c1ncc(-c2cc3ccccc3nc2OC)[nH]1 Homo sapiens CHEMBL4623362 single protein format
CHEMBL4862152 OBDepict H 3 C O N H H N O O H O CH 3 N N H 3 C IC50 = 0.7 nM 586.78 CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(CC1CC1)CC2)c1ncc(-c2cc3ccc(C)nc3cc2OC)o1 Homo sapiens CHEMBL4828008 cell-based format
CHEMBL99 OBDepict HO NH O CH 3 H 3 C H O N H 3 C CH 3 Ki = 0.76 nM 302.37 CC(/C=C/C(=O)NO)=C[C@@H](C)C(=O)c1ccc(N(C)C)cc1 Homo sapiens CHEMBL1166729 single protein format
CHEMBL4637689 OBDepict H 3 C N N H O H N N H F O N O CH 3 IC50 = 0.76 nM 467.55 Cc1cc(C(=O)CCCCC[C@H](NC(=O)C2CN(C)C2)c2ncc(-c3ccccc3F)[nH]2)no1 Homo sapiens CHEMBL4625802 cell-based format
CHEMBL485514 OBDepict HO N H O NH O IC50 = 0.8 nM 350.42 O=C(C=C1c2ccccc2-c2ccccc21)NCCCCCC(=O)NO Homo sapiens CHEMBL960365 single protein format
CHEMBL2408239 OBDepict H 3 C O O OH Ki = 0.81 nM 228.25 COc1ccc(-c2ccccc(O)c2=O)cc1 Homo sapiens CHEMBL2410191 single protein format
CHEMBL4634501 OBDepict H 3 C N N H O H N O F O N O IC50 = 0.82 nM 454.5 CN1CC(C(=O)N[C@@H](CCCCCC(=O)c2ccon2)c2ncc(-c3ccccc3F)o2)C1 Homo sapiens CHEMBL4625802 cell-based format
CHEMBL408513 OBDepict OH N H O S NH O O Ki = 0.85 nM 318.35 O=C(/C=C/c1cccc(S(=O)(=O)Nc2ccccc2)c1)NO Homo sapiens CHEMBL1216983 single protein format
CHEMBL4854377 OBDepict CH 3 O H N H N N O H H N N IC50 = 0.86 nM 555.77 CCC(=O)CCCCC[C@@H]1NC(=O)[C@H]2CC23CCN(C/C=C/CN2C4CCC2c2cc(ccc24)-c2cnc1[nH]2)CC3 Homo sapiens CHEMBL4813304 single protein format
CHEMBL1796689 OBDepict HS H O O N H O H N H H 3 C CH 3 S N O CH 3 N S IC50 = 0.9 nM 496.68 CC(C)[C@H]1NC(=O)[C@]2(C)CSC(=N2)c2csc(n2)CNC(=O)C[C@@H](/C=C/CCS)OC1=O Homo sapiens CHEMBL3366146 single protein format
CHEMBL4069853 OBDepict OH HN O S HN O O N H IC50 = 0.9 nM 385.45 O=C(/C=C/c1ccc(S(=O)(=O)NCCc2cccc3[nH]ccc23)cc1)NO Homo sapiens CHEMBL4020981 single protein format
CHEMBL3759921 OBDepict OH NH O N H O N IC50 = 1.0 nM 367.45 O=C(CCCCCCC(=O)N/N=C/c1ccc(-c2ccccc2)cc1)NO Homo sapiens CHEMBL3761792 single protein format
CHEMBL3317811 OBDepict HS H O O O N H H HN O S N H 3 C N S HO IC50 = 1.1 nM 560.72 C[C@@]12CSC(=N1)c1csc(n1)CNC(=O)C[C@@H](/C=C/CCS)OC(=O)[C@H](Cc1ccc(O)cc1)NC2=O Homo sapiens CHEMBL3366146 single protein format
CHEMBL4780309 OBDepict H 3 C O NH H N N H O H N N CH 3 H IC50 = 1.1 nM 539.72 CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(C)CC2)c1ncc(-c2ccc3[nH]c4ccccc4c3c2)[nH]1 Homo sapiens CHEMBL4689534 single protein format
CHEMBL3621294 OBDepict OH HN O NH O N H O N H IC50 = 1.11 nM 396.45 O=C(CCCCCCC(=O)Nc1ccc2c(c1)/C(=C/c1ccc[nH]1)C(=O)N2)NO Homo sapiens CHEMBL3626709 single protein format
CHEMBL356066 OBDepict OH N N H NH O HO Ki = 1.4 nM 379.46 O=C(/C=C/c1ccc(CN(CCO)CCc2c[nH]c3ccccc23)cc1)NO Homo sapiens CHEMBL1216983 single protein format
CHEMBL4642518 OBDepict H 3 C O N H H N N H O H O N CH 3 N H 3 C IC50 = 1.4 nM 531.7 CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(C)CC2)c1ncc(-c2cc3ccccc3nc2OC)[nH]1 Homo sapiens CHEMBL4623362 single protein format
CHEMBL4780974 OBDepict CH 3 N H N H O H N N H O N CH 3 O H 3 C CH 3 IC50 = 1.4 nM 511.71 CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(CC)CC2)c1ncc(C2=CCC(C)N=C2OC)[nH]1 Homo sapiens CHEMBL4689537 single protein format
CHEMBL3317812 OBDepict SH H O O N H O H NH S N N O N CH 3 N H S IC50 = 1.4 nM 534.69 C[C@@]12CSC(=N1)c1csc(n1)CNC(=O)C[C@@H](/C=C/CCS)OC(=O)[C@H](Cc1c[nH]cn1)NC2=O Homo sapiens CHEMBL3366146 single protein format
CHEMBL4644038 OBDepict CH 3 O N H H N N H O H O N CH 3 N CH 3 H 3 C IC50 = 1.4 nM 559.76 CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(C(C)C)CC2)c1ncc(-c2cc3ccccc3nc2OC)[nH]1 Homo sapiens CHEMBL4623362 single protein format
CHEMBL4637357 OBDepict H 3 C N H NH O H N N H O N CH 3 O H 3 C IC50 = 1.4 nM 545.73 CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(CC)CC2)c1ncc(-c2cc3ccccc3nc2OC)[nH]1 Homo sapiens CHEMBL4623362 single protein format
CHEMBL235842 OBDepict CH 3 HN O N H O H 2 N S Ki = 1.5 nM 351.43 CC(=O)Nc1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1 Homo sapiens CHEMBL3830979 cell-based format
CHEMBL4864510 OBDepict H 3 C O N H H N N H O H O CH 3 N N CH 3 IC50 < 1.5 nM 545.73 CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(CC)CC2)c1ncc(-c2cc3cccnc3cc2OC)[nH]1 Homo sapiens CHEMBL4828008 cell-based format
CHEMBL4859998 OBDepict CH 3 N H HN O H N N H O CH 3 O N H 3 C IC50 < 1.5 nM 559.76 CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(CC)CC2)c1ncc(-c2ccc3c(=O)n(CC)ccc3c2)[nH]1 Homo sapiens CHEMBL4813304 single protein format
CHEMBL4759693 OBDepict H 3 C O HN H N N H O N H N N CH 3 H 3 C IC50 = 1.5 nM 540.71 CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(C)CC2)c1[nH]c(-c2ccc3nc(C)ccc3c2)nc1C#N Homo sapiens CHEMBL4669387 single protein format
CHEMBL4552057 OBDepict HO N H O N N N N N O NH 2 IC50 = 1.6 nM 439.52 Nc1ccc(-c2nc(N3CCOCC3)c3cnn(CCCCCCC(=O)NO)c3n2)cc1 Homo sapiens CHEMBL4413540 assay format
CHEMBL4856631 OBDepict CH 3 O N H H N N H O H N CH 3 O N CH 3 IC50 = 1.6 nM 531.7 CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(C)CC2)c1ncc(-c2ccc3c(=O)n(C)ccc3c2)[nH]1 Homo sapiens CHEMBL4813304 single protein format
CHEMBL3317810 OBDepict SH H O O N H O H NH S N O CH 3 N S IC50 = 1.7 nM 544.72 C[C@@]12CSC(=N1)c1csc(n1)CNC(=O)C[C@@H](/C=C/CCS)OC(=O)[C@H](Cc1ccccc1)NC2=O Homo sapiens CHEMBL3366146 single protein format
CHEMBL4746782 OBDepict H 3 C O HN H N N H O N H N CH 3 N IC50 = 1.7 nM 552.72 CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(C)CC2)c1[nH]c(-c2ccc(-c3cccnc3)cc2)nc1C#N Homo sapiens CHEMBL4669387 single protein format
CHEMBL4642023 OBDepict CH 3 O N H H N N H O H O N CH 3 N CH 3 H 3 C IC50 = 1.8 nM 559.76 CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCC(N(C)C)CC2)c1ncc(-c2cc3ccccc3nc2OC)[nH]1 Homo sapiens CHEMBL4623362 single protein format
CHEMBL4753452 OBDepict H 3 C N H N H O H N N H O Cl H 3 C O H 3 C IC50 = 1.8 nM 529.13 CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(CC)CC2)c1ncc(-c2cc(Cl)ccc2OC)[nH]1 Homo sapiens CHEMBL4689537 single protein format
CHEMBL4638264 OBDepict CH 3 N H NH O H N N H O N H 3 C O H 3 C IC50 = 2.0 nM 559.76 CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CCC12CCN(CC)CC2)c1ncc(-c2cc3ccccc3nc2OC)[nH]1 Homo sapiens CHEMBL4623362 single protein format
CHEMBL4792257 OBDepict H 3 C N H N H O H N N H O CH 3 H 3 C O H 3 C IC50 = 2.0 nM 508.71 CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(CC)CC2)c1ncc(-c2cc(C)ccc2OC)[nH]1 Homo sapiens CHEMBL4689537 single protein format
CHEMBL3891420 OBDepict OH NH O N N NH N O N H IC50 = 2.0 nM 470.53 O=C(NO)c1cnc(NC2(c3ccccc3)CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)nc1 Homo sapiens CHEMBL3888124 single protein format
CHEMBL4761973 OBDepict H 3 C O HN H N N H O N H N N N CH 3 H 3 C IC50 = 2.1 nM 529.69 CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(C)CC2)c1[nH]c(-c2ccc3nn(C)cc3c2)nc1C#N Homo sapiens CHEMBL4669387 single protein format
CHEMBL1771484 OBDepict OH HN O N H O N O CH IC50 = 2.1 nM 345.4 C#CCOc1ccc(/C=N/NC(=O)CCCCCCC(=O)NO)cc1 Homo sapiens CHEMBL1772082 single protein format
CHEMBL3759982 OBDepict OH N H O N H O N IC50 = 2.1 nM 353.42 O=C(CCCCCC(=O)N/N=C/c1ccc(-c2ccccc2)cc1)NO Homo sapiens CHEMBL3761792 single protein format
CHEMBL2105763 OBDepict HO NH O N N N NH N CH 3 IC50 = 2.16 nM 394.48 Cn1cc(CNCC2CCN(c3ncc(C(=O)NO)cn3)CC2)c2ccccc21 Homo sapiens CHEMBL4376738 cell-based format
CHEMBL96051 OBDepict OH N H O N O O Ki = 2.2 nM 326.35 O=C(CCCCCN1C(=O)c2cccc3cccc(c23)C1=O)NO Homo sapiens CHEMBL1216983 single protein format
CHEMBL4873493 OBDepict H 3 C O N H H N O O H O CH 3 N N CH 3 IC50 = 2.2 nM 546.71 CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(CC)CC2)c1ncc(-c2cc3cccnc3cc2OC)o1 Homo sapiens CHEMBL4828008 cell-based format
CHEMBL2048750 OBDepict OH HN O N S O O O O CH 3 H 3 C IC50 = 2.3 nM 402.43 COc1ccc(S(=O)(=O)n2ccc3cc(/C=C/C(=O)NO)ccc32)cc1OC Homo sapiens CHEMBL2051700 single protein format
CHEMBL4441774 OBDepict HS F H O O N H O H N H H 3 C CH 3 S N O CH 3 N S IC50 = 2.46 nM 514.67 CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2csc(n2)CNC(=O)C[C@@H](/C=C(F)CCS)OC1=O Homo sapiens CHEMBL4363857 cell-based format
CHEMBL484073 OBDepict OH N H O HN O N IC50 = 2.5 nM 327.38 O=C(/C=C/c1ccc2cccnc2c1)NCCCCCC(=O)NO Homo sapiens CHEMBL960365 single protein format
CHEMBL3827894 OBDepict HO N H O N N N CH 3 N N H 3 C N N N O N N NH 2 IC50 = 2.62 nM 492.5 CN(Cc1nc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc2n1C)c1ncc(C(=O)NO)cn1 Homo sapiens CHEMBL3829032 cell-based format
CHEMBL3827517 OBDepict HO N H O N N N CH 3 N N H 3 C N N N O N IC50 = 2.8 nM 476.5 CN(Cc1nc2c(N3CCOCC3)nc(-c3ccncc3)nc2n1C)c1ncc(C(=O)NO)cn1 Homo sapiens CHEMBL3829032 cell-based format
CHEMBL4742026 OBDepict CH 3 O N H H N N H O H N CH 3 N CH 3 IC50 = 2.9 nM 503.69 CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(C)CC2)c1ncc(-c2cn(C)c3ccccc23)[nH]1 Homo sapiens CHEMBL4689534 single protein format
CHEMBL3827814 OBDepict HO N H O N N N CH 3 N N H 3 C N N N O NH 2 IC50 = 2.9 nM 490.53 CN(Cc1nc2c(N3CCOCC3)nc(-c3ccc(N)cc3)nc2n1C)c1ncc(C(=O)NO)cn1 Homo sapiens CHEMBL3829032 cell-based format
CHEMBL1213492 OBDepict CH 3 N H 3 C O N H O N H O HO Ki = 3.0 nM 421.5 CCN(CC)Cc1ccc2cc(COC(=O)Nc3ccc(C(=O)NO)cc3)ccc2c1 Homo sapiens CHEMBL1216983 single protein format
CHEMBL484489 OBDepict OH N H O HN O F Cl IC50 = 3.0 nM 328.77 O=C(/C=C/c1ccc(Cl)cc1F)NCCCCCC(=O)NO Homo sapiens CHEMBL960365 single protein format
CHEMBL4536105 OBDepict OH HN O O N N CH 3 N F O CH 3 IC50 = 3.0 nM 428.46 COc1ncc(-c2cc(OCCCCCCC(=O)NO)c3ncnc(C)c3c2)cc1F Homo sapiens CHEMBL4312256 cell-based format
CHEMBL4237803 OBDepict HO NH O N H NH O O O CH 3 Ki = 3.1 nM 347.37 COc1ccc(Nc2c(NCCCCCC(=O)NO)c(=O)c2=O)cc1 Homo sapiens CHEMBL4236285 single protein format
CHEMBL490018 OBDepict OH N H O HN O CH 3 IC50 = 3.1 nM 316.4 CC(/C=C/c1ccccc1)=CC(=O)NCCCCCC(=O)NO Homo sapiens CHEMBL960365 single protein format
CHEMBL3317816 OBDepict HS H O O N H O H N H S N HN O CH 3 N O O S CH 3 CH 3 CH 3 IC50 = 3.1 nM 597.79 CC(C)(C)OC(=O)NCC[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2csc(n2)CNC(=O)C[C@@H](/C=C/CCS)OC1=O Homo sapiens CHEMBL3366146 single protein format
CHEMBL4862556 OBDepict H 3 C O N H H N O O H O CH 3 N N H 3 C IC50 = 3.2 nM 532.69 CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(C)CC2)c1ncc(-c2cc3cccnc3cc2OC)o1 Homo sapiens CHEMBL4828008 cell-based format
CHEMBL4846560 OBDepict OH N H O N N N N NH 2 N O NH 2 IC50 = 3.2 nM 410.44 Nc1nc2cc(-c3nn(CCCCCCC(=O)NO)c4ncnc(N)c34)ccc2o1 Homo sapiens CHEMBL4844754 single protein format
CHEMBL3759186 OBDepict OH HN O O O CH 3 N N H N Br IC50 = 3.3 nM 489.37 COc1cc2ncnc(Nc3ccc(Br)cc3)c2cc1OCCCCCCC(=O)NO Homo sapiens CHEMBL3762766 single protein format
CHEMBL3593407 OBDepict HS H HN O N H O H N H H 3 C CH 3 S N O CH 3 N S IC50 = 3.38 nM 495.7 CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2csc(n2)CNC(=O)C[C@@H](/C=C/CCS)NC1=O Homo sapiens CHEMBL3596004 single protein format
CHEMBL4870348 OBDepict CH 3 HN O N N N N NH 2 N O NH 2 IC50 = 3.4 nM 422.49 CNC(=O)CCCCCCCn1nc(-c2ccc3oc(N)nc3c2)c2c(N)ncnc21 Homo sapiens CHEMBL4844754 single protein format
CHEMBL4462577 OBDepict HO NH O N N N CH 3 O N N CH 3 N O CH 3 IC50 = 3.4 nM 461.48 COc1ccc(-c2cc(OCCN(C)c3ncc(C(=O)NO)cn3)c3ncnc(C)c3c2)cn1 Homo sapiens CHEMBL4312256 cell-based format
CHEMBL4799886 OBDepict HO N H O N H O N N H F O CH 3 IC50 = 3.5 nM 428.46 COc1ccc(F)c(-c2ccc3c(NC(=O)CCCCCCC(=O)NO)n[nH]c3c2)c1 Homo sapiens CHEMBL4768534 cell-based format
CHEMBL3086768 OBDepict OH N H O N H O IC50 = 3.5 nM 250.3 O=C(CCCC(=O)NCCc1ccccc1)NO Homo sapiens CHEMBL3088540 single protein format
CHEMBL4517151 OBDepict HO NH O N N N H 3 C O N N N CH 3 IC50 = 3.6 nM 437.5 Cc1ccc(CN2CCC(c3noc(CN(C)c4ncc(C(=O)NO)cn4)n3)CC2)cc1 Homo sapiens CHEMBL4364741 cell-based format
CHEMBL4638330 OBDepict H 3 C O N H H N N H O H O N N CH 3 H 3 C IC50 = 3.6 nM 503.65 CCC(=O)CCCCC[C@H](NC(=O)[C@@H]1CC12CN(C)C2)c1ncc(-c2cc3ccccc3nc2OC)[nH]1 Homo sapiens CHEMBL4623362 single protein format
CHEMBL4786350 OBDepict OH N H O N H O N N H Cl IC50 = 3.6 nM 414.89 O=C(CCCCCCC(=O)Nc1n[nH]c2cc(-c3ccc(Cl)cc3)ccc12)NO Homo sapiens CHEMBL4768534 cell-based format
CHEMBL4637745 OBDepict CH 3 O N H H N N H O O N H 3 C N H 3 C IC50 = 3.6 nM 545.73 CCC(=O)CCCCC[C@H](NC(=O)C1CCC2(CC1)CN(C)C2)c1ncc(-c2cc3ccccc3nc2OC)[nH]1 Homo sapiens CHEMBL4623362 single protein format
CHEMBL4859950 OBDepict H 3 C O N H H N N H O H N H 3 C IC50 = 3.7 nM 516.73 CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(C)CC2)c1ncc(-c2ccc3c(c2)C2CCC3C2)[nH]1 Homo sapiens CHEMBL4813304 single protein format
CHEMBL4790137 OBDepict HO N H O N H O N N H O CH 3 IC50 = 3.9 nM 410.47 COc1cccc(-c2ccc3c(NC(=O)CCCCCCC(=O)NO)n[nH]c3c2)c1 Homo sapiens CHEMBL4768534 cell-based format
CHEMBL3828518 OBDepict HO N H O N N N CH 3 N N H 3 C N N N O O CH 3 IC50 = 3.9 nM 505.54 COc1ccc(-c2nc(N3CCOCC3)c3nc(CN(C)c4ncc(C(=O)NO)cn4)n(C)c3n2)cc1 Homo sapiens CHEMBL3829032 cell-based format
CHEMBL2022825 OBDepict O HN O H N H O S N S S N IC50 = 3.9 nM 592.81 O=C(N[C@@H](CCCCCCSSc1ccccn1)C(=O)Nc1nc(-c2ccccc2)cs1)OCc1ccccc1 Homo sapiens CHEMBL2024763 single protein format
CHEMBL4061025 OBDepict HS H O O N H O H N H H H 3 C H 3 C CH 3 CH 3 O NH O N H H H 3 C SH O IC50 = 3.9 nM 528.7 C/C=C1NC(=O)[C@H](CS)NC(=O)[C@@H](C(C)C)NC(=O)C[C@@H](/C=C/CS)OC(=O)[C@H](C(C)C)NC1=O Homo sapiens CHEMBL4037073 cell-based format
CHEMBL146250 OBDepict SH H O O HN O H N H H CH 3 H 3 C H 3 C CH 3 O N H O NH H CH 3 SH O IC50 = 3.9 nM 542.72 C/C=C1NC(=O)[C@@H](CS)NC(=O)[C@@H](C(C)C)NC(=O)C[C@@H](/C=C/CCS)OC(=O)[C@H](C(C)C)NC1=O Homo sapiens CHEMBL697298 single protein format
CHEMBL3310505 OBDepict H 3 C N H O NH O H N H H S CH 3 CH 3 O O S O H HN H H 3 C H 3 C O IC50 = 3.9 nM 540.71 C/C=C1NC(=O)[C@H]2CSSCC/C=C/[C@@H](CC(=O)N[C@H](C(C)C)C(=O)N2)OC(=O)[C@H](C(C)C)NC1=O Homo sapiens CHEMBL4322381 single protein format
CHEMBL1801250 OBDepict OH N H O N N N H H H HN N F IC50 = 4.0 nM 394.41 O=C(NO)c1cnc(N2C[C@H]3[C@H](NCc4ccc5cc(F)ccc5n4)[C@H]3C2)nc1 Homo sapiens CHEMBL1804720 single protein format
CHEMBL4785064 OBDepict HO N H O N N N N N N O NH 2 IC50 = 4.0 nM 440.51 Nc1ccc(-c2nc(N3CCOCC3)c3ncn(CCCCCCC(=O)NO)c3n2)cn1 Homo sapiens CHEMBL4707185 single protein format
CHEMBL4792980 OBDepict OH N H O N H O N N H Cl IC50 = 4.0 nM 414.89 O=C(CCCCCCC(=O)Nc1n[nH]c2cc(-c3cccc(Cl)c3)ccc12)NO Homo sapiens CHEMBL4768534 cell-based format
CHEMBL2048746 OBDepict OH HN O N S O O IC50 = 4.0 nM 342.38 O=C(/C=C/c1ccc2c(ccn2S(=O)(=O)c2ccccc2)c1)NO Homo sapiens CHEMBL2051700 single protein format
CHEMBL4744689 OBDepict HO N H O N N N N N N O NH 2 IC50 = 4.1 nM 440.51 Nc1ncc(-c2nc(N3CCOCC3)c3ccn(CCCCCCC(=O)NO)c3n2)cn1 Homo sapiens CHEMBL4707185 single protein format
CHEMBL3593247 OBDepict HS H O O N H O H N H H 3 C CH 3 S N O CH 3 N S IC50 = 4.19 nM 496.68 CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2csc(n2)CNC(=O)C[C@@H](/C=C/CCS)OC1=O Homo sapiens CHEMBL3596004 single protein format
CHEMBL4745088 OBDepict CH 3 O N H H N N H O H N N CH 3 IC50 = 4.2 nM 501.68 CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(C)CC2)c1ncc(-c2cnc3ccccc3c2)[nH]1 Homo sapiens CHEMBL4689534 single protein format
CHEMBL4776328 OBDepict CH 3 O N H N N H O N H O OH IC50 = 4.2 nM 424.5 CCOc1cccc(-c2ccc3c(NC(=O)CCCCCCC(=O)NO)n[nH]c3c2)c1 Homo sapiens CHEMBL4768534 cell-based format