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P56524 | HDAC4_HUMAN | Histone deacetylase 4 (HDAC4)

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
CHEMBL2105763 OBDepict HO NH O N N N NH N CH 3 Ki = 0.3 nM 394.48 Cn1cc(CNCC2CCN(c3ncc(C(=O)NO)cn3)CC2)c2ccccc21 Homo sapiens CHEMBL3598916 single protein format
CHEMBL144205 OBDepict O O H NH O N H O H N H H 3 C O HN O H H 3 C IC50 = 0.3 nM 436.51 C[C@@H]1NC(=O)[C@H](CCCCCC(=O)C2CO2)NC(=O)[C@H]2CCCN2C(=O)[C@H](C)NC1=O Homo sapiens CHEMBL698808 cell-based format
CHEMBL3692678 OBDepict CH 3 N CH 3 N H H 3 C H O N N O F F F IC50 = 0.75 nM 384.4 CCCN(CC)C[C@@H](C)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 Homo sapiens CHEMBL3705880 cell-based format
CHEMBL3692689 OBDepict H 3 C N N H H 3 C H O N N O F F F IC50 = 0.85 nM 418.42 C[C@H](CN(C)Cc1ccccc1)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 Homo sapiens CHEMBL3705880 cell-based format
CHEMBL3692671 OBDepict CH 3 N N H H 3 C H CH 3 O N N O F F F IC50 = 0.97 nM 398.43 CCCN(CCC)C[C@@H](C)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 Homo sapiens CHEMBL3705880 cell-based format
CHEMBL3692673 OBDepict CH 3 N CH 3 N H H 3 C H O N N O F F F IC50 = 1.0 nM 370.38 CCCN(C)C[C@@H](C)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 Homo sapiens CHEMBL3705880 cell-based format
CHEMBL3692683 OBDepict CH 3 N CH 3 N H H 3 C H O N N O F F F IC50 = 1.1 nM 384.4 CCCCN(C)C[C@@H](C)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 Homo sapiens CHEMBL3705880 cell-based format
CHEMBL485514 OBDepict HO N H O NH O IC50 = 1.2 nM 350.42 O=C(C=C1c2ccccc2-c2ccccc21)NCCCCCC(=O)NO Homo sapiens CHEMBL960367 single protein format
CHEMBL3692676 OBDepict CH 3 N CH 3 N H H 3 C H O F N N O F F F IC50 = 1.2 nM 388.37 CCCN(C)C[C@@H](C)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1F Homo sapiens CHEMBL3705880 cell-based format
CHEMBL3639915 OBDepict CH 3 N N H H 3 C H CH 3 O F N N O F F F IC50 = 1.4 nM 416.42 CCCN(CCC)C[C@@H](C)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1F Homo sapiens CHEMBL3705880 cell-based format
CHEMBL3692679 OBDepict CH 3 N CH 3 N H H 3 C H O F N N O F F F IC50 = 1.6 nM 402.39 CCCN(CC)C[C@@H](C)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1F Homo sapiens CHEMBL3705880 cell-based format
CHEMBL394261 OBDepict O NH H N H O N H O H N H H 3 C O S S N IC50 = 1.6 nM 595.79 C[C@@H]1NC(=O)C2(Cc3ccccc3C2)NC(=O)[C@H](CCCCCSSc2ccccn2)NC(=O)[C@H]2CCCN2C1=O Homo sapiens CHEMBL925325 cell-based format
CHEMBL238829 OBDepict O N H H HN CH 3 CH 3 O NH O H N H O S S N IC50 = 1.8 nM 597.81 CC1(C)NC(=O)[C@H](CCCCCSSc2ccccn2)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O Homo sapiens CHEMBL925325 cell-based format
CHEMBL3692684 OBDepict CH 3 N CH 3 N H H 3 C H O F N N O F F F IC50 = 1.8 nM 402.39 CCCCN(C)C[C@@H](C)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1F Homo sapiens CHEMBL3705880 cell-based format
CHEMBL4760047 OBDepict O HN CH 3 H N N N O CH 3 CH 3 F F F IC50 = 2.0 nM 410.44 C[C@H](CN1CCCC(C)(C)C1)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 Homo sapiens CHEMBL4689587 single protein format
CHEMBL4438404 OBDepict OH S S N H NH O O O N IC50 = 2.0 nM 513.69 O=C(NC(CCCCCSSCCO)C(=O)Nc1cccc2cccnc12)OCc1ccccc1 Homo sapiens CHEMBL4422796 single protein format
CHEMBL393464 OBDepict O NH H N H CH 3 O N H O H N H H 3 C O S S N IC50 = 2.2 nM 597.81 C[C@@H]1NC(=O)[C@](C)(Cc2ccccc2)NC(=O)[C@H](CCCCCSSc2ccccn2)NC(=O)[C@H]2CCCN2C1=O Homo sapiens CHEMBL925325 cell-based format
CHEMBL390991 OBDepict O NH H N H O N H O H N H H 3 C O S S N IC50 = 2.4 nM 595.79 C[C@@H]1NC(=O)[C@@]2(CCc3ccccc32)NC(=O)[C@H](CCCCCSSc2ccccn2)NC(=O)[C@H]2CCCN2C1=O Homo sapiens CHEMBL925325 cell-based format
CHEMBL1830536 OBDepict H 3 C N H N N CH 3 N H O OH Ki = 2.4 nM 356.47 CC/C=CCCc1nc2cc(/C=C/C(=O)NO)ccc2n1CCNCC Homo sapiens CHEMBL1832523 single protein format
CHEMBL145110 OBDepict HO N H O H N H O NH O H N H CH 3 O N H O H H 3 C IC50 = 2.7 nM 425.49 C[C@@H]1NC(=O)[C@H](CCCCCC(=O)NO)NC(=O)[C@H]2CCCN2C(=O)[C@H](C)NC1=O Homo sapiens CHEMBL698808 cell-based format
CHEMBL2158745 OBDepict HO N H O H N H O NH O H N H O N H O H CH 3 H H 3 C O CH 3 IC50 = 3.0 nM 573.69 CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccc(OC)cc2)NC(=O)[C@H](CCCCCC(=O)NO)NC(=O)[C@H]2CCCN2C1=O Homo sapiens CHEMBL3368833 cell-based format
CHEMBL4754665 OBDepict F O F H N N H H 3 C H O N N O F F F IC50 = 3.0 nM 448.39 C[C@H](CN1CCC[C@H](OC(F)F)C1)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 Homo sapiens CHEMBL4689587 single protein format
CHEMBL3692686 OBDepict CH 3 N H HN O N N O F F F IC50 = 3.6 nM 340.31 CN1CC[C@@H](NC(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)C1 Homo sapiens CHEMBL3705880 cell-based format
CHEMBL1830537 OBDepict H 3 C N N N H CH 3 H 3 C N H O HO Ki = 3.6 nM 358.49 CCCCCc1nc2cc(/C=C/C(=O)NO)ccc2n1CCNC(C)C Homo sapiens CHEMBL1832523 single protein format
CHEMBL490018 OBDepict OH N H O HN O CH 3 IC50 = 3.7 nM 316.4 CC(/C=C/c1ccccc1)=CC(=O)NCCCCCC(=O)NO Homo sapiens CHEMBL960367 single protein format
CHEMBL393961 OBDepict OH H HN O N O H 3 C H 3 C N H H O NH O H S S N IC50 = 4.0 nM 537.71 CC1(C)NC(=O)[C@H](CCCCCSSc2ccccn2)NC(=O)[C@H]2CCCN2C(=O)[C@H](CO)NC1=O Homo sapiens CHEMBL925325 cell-based format
CHEMBL3310508 OBDepict O N H H HN H O N O H N H H O S S IC50 = 4.2 nM 560.79 O=C1N[C@@H]2CCCCCSSCCCCC[C@@H]1NC(=O)[C@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC2=O Homo sapiens CHEMBL3366598 single protein format
CHEMBL238587 OBDepict O HN H HN CH 3 H 3 C O N H O H N H CH 3 S S N IC50 = 4.2 nM 569.8 C[C@H]1CN2Cc3ccccc3C[C@@H]2C(=O)N[C@@H](CCCCCSSc2ccccn2)C(=O)NC(C)(C)C(=O)N1 Homo sapiens CHEMBL925325 cell-based format
CHEMBL484489 OBDepict OH N H O HN O F Cl IC50 = 4.3 nM 328.77 O=C(/C=C/c1ccc(Cl)cc1F)NCCCCCC(=O)NO Homo sapiens CHEMBL960367 single protein format
CHEMBL356066 OBDepict OH N N H NH O HO IC50 = 4.4 nM 379.46 O=C(/C=C/c1ccc(CN(CCO)CCc2c[nH]c3ccccc23)cc1)NO Homo sapiens CHEMBL931623 assay format
CHEMBL3692672 OBDepict CH 3 N CH 3 H 3 C N H H 3 C H O N N O F F F IC50 = 4.5 nM 370.38 CC(C)N(C)C[C@@H](C)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 Homo sapiens CHEMBL3705880 cell-based format
CHEMBL589311 OBDepict HO N H O H HN O N H O H N H O HN O H IC50 = 4.5 nM 549.71 O=C(CCCCC[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@@H]2CCCCCCCCCCC[C@@H](NC1=O)C(=O)N2)NO Homo sapiens CHEMBL1073572 single protein format
CHEMBL609583 OBDepict OH N H O N N N N S O O IC50 = 4.6 nM 413.46 O=C(NO)c1cnc(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)nc1 Homo sapiens CHEMBL1068531 single protein format
CHEMBL2105763 OBDepict HO NH O N N N NH N CH 3 IC50 = 4.61 nM 394.48 Cn1cc(CNCC2CCN(c3ncc(C(=O)NO)cn3)CC2)c2ccccc21 Homo sapiens CHEMBL4376739 cell-based format
CHEMBL589918 OBDepict OH HN O H N H O HN O H N H O HN O H IC50 = 5.0 nM 563.74 O=C(CCCCC[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@@H]2CCCCCCCCCCCC[C@@H](NC1=O)C(=O)N2)NO Homo sapiens CHEMBL1073572 single protein format
CHEMBL3692666 OBDepict CH 3 N CH 3 N H H 3 C H O N N O F F F IC50 = 5.0 nM 370.38 CCN(CC)C[C@@H](C)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 Homo sapiens CHEMBL3705880 cell-based format
CHEMBL113537 OBDepict O N H O F F F Ki = 5.1 nM 301.31 O=C(CCCCCCC(=O)C(F)(F)F)Nc1ccccc1 Homo sapiens CHEMBL3802968 single protein format
CHEMBL238596 OBDepict O N H H HN CH 3 CH 3 O NH O H N H H 3 C O S S N IC50 = 5.2 nM 521.71 C[C@@H]1NC(=O)C(C)(C)NC(=O)[C@H](CCCCCSSc2ccccn2)NC(=O)[C@H]2CCCN2C1=O Homo sapiens CHEMBL925325 cell-based format
CHEMBL484073 OBDepict OH N H O HN O N IC50 = 5.3 nM 327.38 O=C(/C=C/c1ccc2cccnc2c1)NCCCCCC(=O)NO Homo sapiens CHEMBL960367 single protein format
CHEMBL1830424 OBDepict CH 3 N N N H 3 C CH 3 N H O HO Ki = 5.3 nM 358.49 CCCCCCc1nc2cc(/C=C/C(=O)NO)ccc2n1CCN(C)C Homo sapiens CHEMBL1832523 single protein format
CHEMBL598363 OBDepict HO N H O H N H O NH O H N H O N H O H IC50 = 5.4 nM 521.66 O=C(CCCCC[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@@H]2CCCCCCCCC[C@@H](NC1=O)C(=O)N2)NO Homo sapiens CHEMBL1073572 single protein format
CHEMBL592719 OBDepict HO N H O H NH O N H O H N H O NH O H IC50 = 5.5 nM 535.69 O=C(CCCCC[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@@H]2CCCCCCCCCC[C@@H](NC1=O)C(=O)N2)NO Homo sapiens CHEMBL1073572 single protein format
CHEMBL2158742 OBDepict O N H H HN H O N O O H N H H O S S IC50 = 5.9 nM 562.76 O=C1N[C@@H]2CCOCCSSCCCCC[C@@H]1NC(=O)[C@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC2=O Homo sapiens CHEMBL2160546 single protein format
CHEMBL4467160 OBDepict OH NH O H HN O N H O H N CH 3 O NH O H IC50 = 6.0 nM 569.7 CC1CCCCC12NC(=O)[C@H](CCCCCC(=O)NO)NC(=O)[C@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC2=O Homo sapiens CHEMBL4422790 cell-based format
CHEMBL1083086 OBDepict OH N H O HN HN O O Br Ki = 6.0 nM 372.22 O=C(CCCCCNC(=O)NC(=O)c1ccc(Br)cc1)NO Homo sapiens CHEMBL1119897 single protein format
CHEMBL1830420 OBDepict CH 3 N N N H CH 3 N H O HO Ki = 6.2 nM 358.49 CCCCCCc1nc2cc(/C=C/C(=O)NO)ccc2n1CCNCC Homo sapiens CHEMBL1832523 single protein format
CHEMBL1830422 OBDepict CH 3 N N N H CH 3 CH 3 N H O HO Ki = 6.6 nM 372.51 CCCCCCc1nc2cc(/C=C/C(=O)NO)ccc2n1CCNC(C)C Homo sapiens CHEMBL1832523 single protein format
CHEMBL518821 OBDepict O F F F S O N N O N O N IC50 = 7.0 nM 422.34 O=C(c1ccc(-c2nc(COc3ccc(-c4nnco4)cc3)no2)s1)C(F)(F)F Homo sapiens CHEMBL953324 assay format
CHEMBL3692675 OBDepict CH 3 N CH 3 H 3 C N H H 3 C H O F N N O F F F IC50 = 7.2 nM 388.37 CC(C)N(C)C[C@@H](C)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1F Homo sapiens CHEMBL3705880 cell-based format
CHEMBL3692657 OBDepict CH 3 N CH 3 N H CH 3 O N N O F F F IC50 = 7.6 nM 370.38 CCN(CC)CC(C)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 Homo sapiens CHEMBL3705880 cell-based format
CHEMBL1830397 OBDepict OH HN O N N H 3 C H 3 C N CH 3 H 3 C CH 3 CH 3 H 3 C Ki = 7.9 nM 386.54 CN(C)CC(C)(C)Cn1c(CC(C)(C)C)nc2cc(/C=C/C(=O)NO)ccc21 Homo sapiens CHEMBL1832523 single protein format
CHEMBL3310507 OBDepict O HN H N H H O N H O H N H H 3 C CH 3 O S S IC50 = 8.3 nM 512.74 CC(C)[C@@H]1NC(=O)[C@H]2CCCCCSSCCCCC[C@H](NC(=O)[C@H]3CCCN3C1=O)C(=O)N2 Homo sapiens CHEMBL3366598 single protein format
CHEMBL3692685 OBDepict CH 3 N CH 3 H 3 C N H H 3 C H O F N N O F F F IC50 = 8.4 nM 402.39 CCN(C[C@@H](C)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1F)C(C)C Homo sapiens CHEMBL3705880 cell-based format
CHEMBL489332 OBDepict HO NH O N N N Ki = 8.7 nM 418.54 O=C(/C=C/c1ccc2c(c1)nc(CCc1ccccc1)n2CCN1CCCCC1)NO Homo sapiens CHEMBL1832523 single protein format
CHEMBL3692660 OBDepict CH 3 N CH 3 N H H 3 C H O F N N O F F F IC50 = 8.9 nM 388.37 CCN(CC)C[C@@H](C)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1F Homo sapiens CHEMBL3705880 cell-based format
CHEMBL3692670 OBDepict CH 3 N CH 3 N H H 3 C H O N N O F F F IC50 = 8.9 nM 356.35 CCN(C)C[C@@H](C)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 Homo sapiens CHEMBL3705880 cell-based format
CHEMBL3310510 OBDepict O HN H N H H O N H O H N H H 3 C CH 3 O S S IC50 = 9.3 nM 512.74 CC(C)[C@@H]1NC(=O)[C@@H]2CCCCCSSCCCCC[C@H](NC(=O)[C@H]3CCCN3C1=O)C(=O)N2 Homo sapiens CHEMBL3366598 single protein format
CHEMBL491316 OBDepict OH HN O N N N Ki = 9.6 nM 404.51 O=C(/C=C/c1ccc2c(c1)nc(CCc1ccccc1)n2CCN1CCCC1)NO Homo sapiens CHEMBL1015997 single protein format
CHEMBL3692668 OBDepict H 3 C N H 3 C NH H CH 3 H 3 C O N N O F F F IC50 = 9.8 nM 398.43 CCN(CC)C[C@H](NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1)C(C)C Homo sapiens CHEMBL3705880 cell-based format
CHEMBL460963 OBDepict HO NH O N N H 3 C H 3 C N H 3 C H 3 C Ki = 10.0 nM 420.56 CN(C)CC(C)(C)Cn1c(CCc2ccccc2)nc2cc(/C=C/C(=O)NO)ccc21 Homo sapiens CHEMBL1832523 single protein format
CHEMBL3692665 OBDepict O N H H 3 C H N N N O F F F IC50 = 10.0 nM 382.39 C[C@H](CN1CCCCC1)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 Homo sapiens CHEMBL3705880 cell-based format
CHEMBL4798111 OBDepict O N H H 3 C H N N N H H 3 C O F F F IC50 = 10.0 nM 382.39 C[C@H]1CCCN1C[C@@H](C)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 Homo sapiens CHEMBL4689587 single protein format
CHEMBL3692669 OBDepict CH 3 N H 3 C N H H CH 3 CH 3 O F N N O F F F IC50 = 10.0 nM 416.42 CCN(CC)C[C@H](NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1F)C(C)C Homo sapiens CHEMBL3705880 cell-based format
CHEMBL4744030 OBDepict O N H CH 3 H N N N O F F F IC50 = 10.0 nM 396.41 C[C@H](CN1CCCCCC1)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 Homo sapiens CHEMBL4689587 single protein format
CHEMBL3310506 OBDepict O HN H N H H O N H O H N H H 3 C O S S IC50 = 10.3 nM 484.69 C[C@@H]1NC(=O)[C@H]2CCCCCSSCCCCC[C@H](NC(=O)[C@H]3CCCN3C1=O)C(=O)N2 Homo sapiens CHEMBL3366598 single protein format
CHEMBL1830396 OBDepict CH 3 N N N H CH 3 CH 3 N H O HO Ki = 11.0 nM 344.46 CCCCc1nc2cc(/C=C/C(=O)NO)ccc2n1CCNC(C)C Homo sapiens CHEMBL1832523 single protein format
CHEMBL3692664 OBDepict O N H CH 3 H N N N O F F F IC50 = 11.0 nM 368.36 C[C@H](CN1CCCC1)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 Homo sapiens CHEMBL3705880 cell-based format
CHEMBL3310509 OBDepict O HN H N H H O N H O O H N H H 3 C O S S IC50 = 11.0 nM 486.66 C[C@@H]1NC(=O)[C@H]2CCOCCSSCCCCC[C@H](NC(=O)[C@H]3CCCN3C1=O)C(=O)N2 Homo sapiens CHEMBL3366598 single protein format
CHEMBL2312168 OBDepict HO NH O O HN O CH 3 CH 3 IC50 = 11.9 nM 294.35 Cc1cc(C)cc(C(=O)NOCCCCCC(=O)NO)c1 Homo sapiens CHEMBL2318996 single protein format
CHEMBL3692688 OBDepict CH 3 N CH 3 N H O N N O F F F IC50 = 12.0 nM 356.35 CCN(CC)CCNC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 Homo sapiens CHEMBL3705880 cell-based format
CHEMBL589906 OBDepict CH 3 H NH O N H O H N H H O N O H H 3 C HN O OH IC50 = 12.0 nM 537.7 CCCCC[C@@H]1NC(=O)[C@@H](CCCCC)NC(=O)[C@H](CCCCCC(=O)NO)NC(=O)[C@H]2CCCN2C1=O Homo sapiens CHEMBL1073572 single protein format
CHEMBL3692622 OBDepict CH 3 N CH 3 N H CH 3 H O F N N O F F F IC50 = 12.0 nM 360.31 C[C@H](CN(C)C)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1F Homo sapiens CHEMBL3705880 cell-based format
CHEMBL3692663 OBDepict O NH F H 3 C H N N N O F F F IC50 = 13.0 nM 400.38 C[C@H](CN1CCCCC1)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1F Homo sapiens CHEMBL3705880 cell-based format
CHEMBL4799406 OBDepict HO N H O N O O F IC50 = 13.0 nM 390.37 O=C(NO)c1ccc(CN2C(=O)c3cccc(F)c3C2=O)cc1-c1ccccc1 Homo sapiens CHEMBL4737685 single protein format
CHEMBL598797 OBDepict OH HN O O O CH 3 N N H N CH IC50 = 13.2 nM 434.5 C#Cc1cccc(Nc2ncnc3cc(OC)c(OCCCCCCC(=O)NO)cc23)c1 Homo sapiens CHEMBL1065584 assay format
CHEMBL4567942 OBDepict OH HN O H NH O N H O H N O HN O H 3 C H IC50 = 14.0 nM 569.7 CC1CCCC2(C1)NC(=O)[C@H](CCCCCC(=O)NO)NC(=O)[C@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC2=O Homo sapiens CHEMBL4422790 cell-based format
CHEMBL3692619 OBDepict CH 3 N H 3 C N H H CH 3 CH 3 O N N O F F F IC50 = 15.0 nM 370.38 CC(C)[C@@H](CN(C)C)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 Homo sapiens CHEMBL3705880 cell-based format
CHEMBL3692655 OBDepict CH 3 N CH 3 N H CH 3 O F N N O F F F IC50 = 15.0 nM 388.37 CCN(CC)CC(C)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1F Homo sapiens CHEMBL3705880 cell-based format
CHEMBL3309858 OBDepict H 3 C H HN O N H O H N H H O N O H CH 3 NH O HO IC50 = 15.0 nM 537.7 CCCCC[C@@H]1NC(=O)[C@H](CCCCCC(=O)NO)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCCC)NC1=O Homo sapiens CHEMBL3368833 cell-based format
CHEMBL462203 OBDepict O N O N N O S O F F F IC50 = 15.0 nM 409.35 O=C1COc2ccccc2N1Cc1noc(-c2ccc(C(=O)C(F)(F)F)s2)n1 Homo sapiens CHEMBL953324 assay format
CHEMBL504161 OBDepict O F F F S O N N S IC50 = 15.0 nM 344.34 O=C(c1ccc(-c2nc(Cc3cccs3)no2)s1)C(F)(F)F Homo sapiens CHEMBL953324 assay format
CHEMBL3215861 OBDepict CH 3 N N N CH 3 CH 3 N H O HO ClH ClH Ki = 16.0 nM 431.41 CCCCc1nc2cc(/C=C/C(=O)NO)ccc2n1CCN(CC)CC.Cl.Cl Homo sapiens CHEMBL1832523 single protein format
CHEMBL98 OBDepict OH NH O N H O Ki = 16.0 nM 264.32 O=C(CCCCCCC(=O)Nc1ccccc1)NO Homo sapiens CHEMBL1119897 single protein format
CHEMBL1851943 OBDepict H 3 C N N N H 3 C H 3 C N H O OH Ki = 16.0 nM 358.49 CCCCc1nc2cc(/C=C/C(=O)NO)ccc2n1CCN(CC)CC Homo sapiens CHEMBL3598916 single protein format
CHEMBL2312164 OBDepict OH HN O O NH O CH 3 IC50 = 16.3 nM 280.32 Cc1cccc(C(=O)NOCCCCCC(=O)NO)c1 Homo sapiens CHEMBL2318996 single protein format
CHEMBL4533107 OBDepict OH HN O F N N CH 3 IC50 = 17.0 nM 337.35 Cc1cnc(-c2ccc(C(C(=O)NO)c3ccccc3F)cc2)nc1 Homo sapiens CHEMBL4310909 single protein format
CHEMBL2414808 OBDepict H 3 C N N H H 3 C H O N N N O F F F IC50 = 18.0 nM 419.41 C[C@H](CN(C)Cc1ccccc1)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)nc1 Homo sapiens CHEMBL2416792 cell-based format
CHEMBL4593341 OBDepict CH 3 O O S O N H HN O O O N IC50 = 18.0 nM 553.68 COCCOCC(=O)SCCCCCC(NC(=O)OCc1ccccc1)C(=O)Nc1cccc2cccnc12 Homo sapiens CHEMBL4422796 single protein format
CHEMBL4551751 OBDepict O NH O N H O N S O CH 3 IC50 = 18.0 nM 479.6 CC(=O)SCCCCCC(NC(=O)OCc1ccccc1)C(=O)Nc1cccc2cccnc12 Homo sapiens CHEMBL4422796 single protein format
CHEMBL4879105 OBDepict O N H N N N O F F F IC50 = 19.0 nM 416.4 O=C(NC1CCN(Cc2ccccc2)C1)c1ccc(-c2noc(C(F)(F)F)n2)cc1 Homo sapiens CHEMBL4813405 cell-based format
CHEMBL1083439 OBDepict OH N H O HN HN O O Ki = 20.0 nM 293.32 O=C(CCCCCNC(=O)NC(=O)c1ccccc1)NO Homo sapiens CHEMBL1119897 single protein format
CHEMBL99 OBDepict HO NH O CH 3 H 3 C H O N H 3 C CH 3 IC50 = 20.0 nM 302.37 CC(/C=C/C(=O)NO)=C[C@@H](C)C(=O)c1ccc(N(C)C)cc1 Homo sapiens CHEMBL827902 cell-based format
CHEMBL4753102 OBDepict F O F H N N H H 3 C H O N N O F F F IC50 = 20.0 nM 448.39 C[C@H](CN1CCC[C@@H](OC(F)F)C1)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 Homo sapiens CHEMBL4689587 single protein format
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 = 20.5 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 CHEMBL1216985 single protein format
CHEMBL4461062 OBDepict OH N H O F HN S O O IC50 = 22.0 nM 400.43 O=C(NO)C(c1ccc(NS(=O)(=O)c2ccccc2)cc1)c1ccccc1F Homo sapiens CHEMBL4310909 single protein format
CHEMBL4457713 OBDepict OH NH O F N N IC50 = 22.0 nM 323.33 O=C(NO)C(c1ccc(-c2ccncn2)cc1)c1ccccc1F Homo sapiens CHEMBL4310909 single protein format
CHEMBL4472392 OBDepict OH NH O F S N IC50 = 22.0 nM 328.37 O=C(NO)C(c1ccc(-c2cncs2)cc1)c1ccccc1F Homo sapiens CHEMBL4310909 single protein format
CHEMBL253308 OBDepict CH 3 H 3 C H H N H O N O CH 3 CH 3 NH H O HN O H S S N IC50 = 23.0 nM 563.79 CC[C@H](C)[C@@H]1NC(=O)C(C)(C)NC(=O)[C@H](CCCCCSSc2ccccn2)NC(=O)[C@H]2CCCN2C1=O Homo sapiens CHEMBL926151 cell-based format
CHEMBL3770504 OBDepict O N H N S N S O F F F IC50 = 23.42 nM 457.54 O=C(NCCCCC(=O)C(F)(F)F)c1nc(-c2nc3c(s2)CCCC3)sc1C1CC1 Homo sapiens CHEMBL3774117 cell-based format
CHEMBL408513 OBDepict OH N H O S NH O O IC50 = 24.0 nM 318.35 O=C(/C=C/c1cccc(S(=O)(=O)Nc2ccccc2)c1)NO Homo sapiens CHEMBL931623 assay format