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Q9BY41 | HDAC8_HUMAN | Histone deacetylase 8 (HDAC8)

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
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 CHEMBL3598915 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 = 0.15 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 CHEMBL1216989 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 = 0.41 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 CHEMBL4363860 cell-based format
CHEMBL2105763 OBDepict HO NH O N N N NH N CH 3 Ki = 0.5 nM 394.48 Cn1cc(CNCC2CCN(c3ncc(C(=O)NO)cn3)CC2)c2ccccc21 Homo sapiens CHEMBL3598915 single protein format
CHEMBL4534486 OBDepict OH HN O N H N N IC50 = 0.8 nM 372.43 O=C(NO)[C@H](Cc1ccccc1)n1nnc(-c2ccccc2)c1C#CC1CC1 Homo sapiens CHEMBL4431258 single protein format
CHEMBL2408237 OBDepict HO O Ki = 1.09 nM 198.22 O=c1c(O)ccccc1-c1ccccc1 Homo sapiens CHEMBL2410190 single protein format
CHEMBL4532398 OBDepict HO N H O N N N N N O NH N O O H H 3 C IC50 = 1.28 nM 566.66 C[C@@H]1CN(C(=O)Nc2ccc(-c3nc(N4CCOCC4)c4cnn(CCCCCCC(=O)NO)c4n3)cc2)CCO1 Homo sapiens CHEMBL4413542 assay format
CHEMBL2408242 OBDepict O OH Ki = 1.47 nM 198.22 O=c1cc(-c2ccccc2)cccc1O Homo sapiens CHEMBL2410190 single protein format
CHEMBL2235264 OBDepict OH HN O O Br IC50 = 2.0 nM 418.33 O=C(CCCCCCCC(=O)c1ccc(-c2ccc(Br)cc2)cc1)NO Homo sapiens CHEMBL3047468 single protein format
CHEMBL2408246 OBDepict CH 3 CH 3 O HO Ki = 2.27 nM 178.23 CCC(C)c1cccc(O)c(=O)c1 Homo sapiens CHEMBL2410190 single protein format
CHEMBL2408243 OBDepict H 3 C O O OH Ki = 2.38 nM 228.25 COc1ccc(-c2cccc(O)c(=O)c2)cc1 Homo sapiens CHEMBL2410190 single protein format
CHEMBL4786031 OBDepict OH N H O N H O N N H F IC50 = 2.4 nM 398.44 O=C(CCCCCCC(=O)Nc1n[nH]c2cc(-c3ccccc3F)ccc12)NO Homo sapiens CHEMBL4768535 cell-based format
CHEMBL4529036 OBDepict HO NH O N H N N O O CH 3 H 3 C IC50 = 3.0 nM 432.48 COc1cc(OC)cc(-c2nnn([C@@H](Cc3ccccc3)C(=O)NO)c2C#CC2CC2)c1 Homo sapiens CHEMBL4431258 single protein format
CHEMBL4790137 OBDepict HO N H O N H O N N H O CH 3 IC50 = 3.0 nM 410.47 COc1cccc(-c2ccc3c(NC(=O)CCCCCCC(=O)NO)n[nH]c3c2)c1 Homo sapiens CHEMBL4768535 cell-based format
CHEMBL4641682 OBDepict H 3 C N N H O H N N H F O N O IC50 = 3.0 nM 453.52 CN1CC(C(=O)N[C@@H](CCCCCC(=O)c2ccon2)c2ncc(-c3ccccc3F)[nH]2)C1 Homo sapiens CHEMBL4625805 assay format
CHEMBL4793650 OBDepict OH N H O N H O N N H O O CH 3 CH 3 IC50 = 3.2 nM 440.5 COc1ccc(-c2ccc3c(NC(=O)CCCCCCC(=O)NO)n[nH]c3c2)cc1OC Homo sapiens CHEMBL4768535 cell-based format
CHEMBL4777182 OBDepict HO N H O N H O N N H N O CH 3 IC50 = 3.3 nM 411.46 COc1cccc(-c2ccc3c(NC(=O)CCCCCCC(=O)NO)n[nH]c3n2)c1 Homo sapiens CHEMBL4768535 cell-based format
CHEMBL4786350 OBDepict OH N H O N H O N N H Cl IC50 = 3.3 nM 414.89 O=C(CCCCCCC(=O)Nc1n[nH]c2cc(-c3ccc(Cl)cc3)ccc12)NO Homo sapiens CHEMBL4768535 cell-based format
CHEMBL4776328 OBDepict CH 3 O N H N N H O N H O OH IC50 = 3.4 nM 424.5 CCOc1cccc(-c2ccc3c(NC(=O)CCCCCCC(=O)NO)n[nH]c3c2)c1 Homo sapiens CHEMBL4768535 cell-based format
CHEMBL4788954 OBDepict HO N H O N H O N N H O CH 3 IC50 = 3.6 nM 410.47 COc1ccc(-c2ccc3c(NC(=O)CCCCCCC(=O)NO)n[nH]c3c2)cc1 Homo sapiens CHEMBL4768535 cell-based format
CHEMBL4792980 OBDepict OH N H O N H O N N H Cl IC50 = 3.8 nM 414.89 O=C(CCCCCCC(=O)Nc1n[nH]c2cc(-c3cccc(Cl)c3)ccc12)NO Homo sapiens CHEMBL4768535 cell-based format
CHEMBL4792567 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(-c3ccccc3Cl)ccc12)NO Homo sapiens CHEMBL4768535 cell-based format
CHEMBL2235262 OBDepict OH HN O N OH IC50 = 4.0 nM 354.45 O=C(CCCCCCC/C(=NO)c1ccc(-c2ccccc2)cc1)NO Homo sapiens CHEMBL3047468 single protein format
CHEMBL4476253 OBDepict OH NH O N H N N S IC50 = 4.0 nM 378.46 O=C(NO)[C@H](Cc1ccccc1)n1nnc(-c2ccsc2)c1C#CC1CC1 Homo sapiens CHEMBL4431258 single protein format
CHEMBL4782066 OBDepict OH N H O N H O N N H F F F IC50 = 4.1 nM 448.45 O=C(CCCCCCC(=O)Nc1n[nH]c2cc(-c3cccc(C(F)(F)F)c3)ccc12)NO Homo sapiens CHEMBL4768535 cell-based format
CHEMBL4786063 OBDepict HO N H O N H O N N H O H 3 C IC50 = 4.2 nM 410.47 COc1ccccc1-c1ccc2c(NC(=O)CCCCCCC(=O)NO)n[nH]c2c1 Homo sapiens CHEMBL4768535 cell-based format
CHEMBL4788942 OBDepict HO N H O N H O N N H O O H 3 C CH 3 IC50 = 4.4 nM 440.5 COc1cc(OC)cc(-c2ccc3c(NC(=O)CCCCCCC(=O)NO)n[nH]c3c2)c1 Homo sapiens CHEMBL4768535 cell-based format
CHEMBL4776974 OBDepict HO N H O N H O N N H F O CH 3 IC50 = 4.4 nM 428.46 COc1cccc(-c2ccc3c(NC(=O)CCCCCCC(=O)NO)n[nH]c3c2)c1F Homo sapiens CHEMBL4768535 cell-based format
CHEMBL2235266 OBDepict OH HN O O N N IC50 = 4.5 nM 423.56 O=C(CCCCCCCC(=O)c1ccc(N2CCN(c3ccccc3)CC2)cc1)NO Homo sapiens CHEMBL3047468 single protein format
CHEMBL4782988 OBDepict HO N H O N H O N N H O CH 3 IC50 = 4.5 nM 396.45 COc1cccc(-c2ccc3c(NC(=O)CCCCCC(=O)NO)n[nH]c3c2)c1 Homo sapiens CHEMBL4768535 cell-based format
CHEMBL3759186 OBDepict OH HN O O O CH 3 N N H N Br IC50 = 4.6 nM 489.37 COc1cc2ncnc(Nc3ccc(Br)cc3)c2cc1OCCCCCCC(=O)NO Homo sapiens CHEMBL3762768 single protein format
CHEMBL4799886 OBDepict HO N H O N H O N N H F O CH 3 IC50 = 4.9 nM 428.46 COc1ccc(F)c(-c2ccc3c(NC(=O)CCCCCCC(=O)NO)n[nH]c3c2)c1 Homo sapiens CHEMBL4768535 cell-based format
CHEMBL2235260 OBDepict OH HN O O IC50 = 5.0 nM 339.43 O=C(CCCCCCCC(=O)c1ccc(-c2ccccc2)cc1)NO Homo sapiens CHEMBL3047468 single protein format
CHEMBL3633769 OBDepict OH N H O O O CH 3 N N H N Cl Cl IC50 = 5.2 nM 465.34 COc1cc2ncnc(Nc3ccc(Cl)cc3Cl)c2cc1OCCCCCC(=O)NO Homo sapiens CHEMBL3636780 single protein format
CHEMBL388195 OBDepict HO N H O H N H O NH O H N H H O O O H 3 C CH 3 Ki = 5.32 nM 476.53 COC(=O)[C@@H]1Cc2cccc(c2)C[C@H](NC(C)=O)C(=O)N[C@@H](CCCCCC(=O)NO)C(=O)N1 Homo sapiens CHEMBL912072 single protein format
CHEMBL2235657 OBDepict OH NH O IC50 = 6.0 nM 297.4 O=C(CCCCCC/C=C/c1ccc2ccccc2c1)NO Homo sapiens CHEMBL3047468 single protein format
CHEMBL3309297 OBDepict HO HN O H H N H O NH H 3 C H 3 C O IC50 = 6.0 nM 399.49 CC1(C)CC(=O)Nc2ccc(C(=O)NC[C@H]3CC[C@H](/C=C/C(=O)NO)CC3)cc21 Homo sapiens CHEMBL3373321 single protein format
CHEMBL4566086 OBDepict OH HN O N H N N N H IC50 = 7.0 nM 411.47 O=C(NO)[C@H](Cc1c[nH]c2ccccc12)n1nnc(-c2ccccc2)c1C#CC1CC1 Homo sapiens CHEMBL4431258 single protein format
CHEMBL4776599 OBDepict HO N H O N H O N N H N O CH 3 IC50 = 7.2 nM 411.46 COc1ccc(-c2ccc3c(NC(=O)CCCCCCC(=O)NO)n[nH]c3n2)cc1 Homo sapiens CHEMBL4768535 cell-based format
CHEMBL2408248 OBDepict H 3 C O O CH 3 H 3 C Ki = 7.87 nM 178.23 COc1cccc(C(C)C)cc1=O Homo sapiens CHEMBL2410190 single protein format
CHEMBL4441146 OBDepict OH HN O N H N N Cl IC50 = 8.0 nM 406.87 O=C(NO)[C@H](Cc1ccccc1)n1nnc(-c2cccc(Cl)c2)c1C#CC1CC1 Homo sapiens CHEMBL4431258 single protein format
CHEMBL2235263 OBDepict OH HN O CH 2 IC50 = 8.0 nM 311.42 C=C(CCCCCCCC(=O)NO)c1ccc2ccccc2c1 Homo sapiens CHEMBL3047468 single protein format
CHEMBL4529140 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 = 8.5 nM 514.67 CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2csc(n2)CNC(=O)C[C@@H](/C(F)=C/CCS)OC1=O Homo sapiens CHEMBL4363860 cell-based format
CHEMBL2235261 OBDepict OH N HN O OH IC50 = 8.5 nM 328.41 O=C(CCCCCCC/C(=NO)c1ccc2ccccc2c1)NO Homo sapiens CHEMBL3047468 single protein format
CHEMBL3356935 OBDepict HS N H H N H O O H NH O O IC50 = 9.0 nM 497.66 O=C1CCC[C@@H](C(=O)N[C@@H](CCCCCS)C(=O)NCc2cccc(OCc3ccccc3)c2)N1 Homo sapiens CHEMBL3379482 single protein format
CHEMBL4760053 OBDepict HO N H O S HN O O CH 3 H 3 C CH 3 IC50 = 9.4 nM 348.42 CC(C)(C)c1ccc(NS(=O)(=O)c2ccc(C(=O)NO)cc2)cc1 Homo sapiens CHEMBL4708170 cell-based format
CHEMBL2235265 OBDepict OH HN O O N IC50 = 9.5 nM 346.47 O=C(CCCCCCCC(=O)c1ccc(N2CCCCC2)cc1)NO Homo sapiens CHEMBL3047468 single protein format
CHEMBL4593948 OBDepict OH HN O N H N N IC50 = 10.0 nM 408.46 O=C(NO)[C@H](Cc1ccccc1)n1nnc(-c2ccccc2)c1C#Cc1ccccc1 Homo sapiens CHEMBL4431258 single protein format
CHEMBL2170177 OBDepict HO NH O N O CH 3 IC50 = 10.0 nM 296.33 COc1ccc(Cn2ccc3ccc(C(=O)NO)cc32)cc1 Homo sapiens CHEMBL2175141 single protein format
CHEMBL595227 OBDepict NH S N N IC50 = 11.0 nM 217.3 N=C1Sc2ccccc2C2=NCCCN12 Homo sapiens CHEMBL4771462 single protein format
CHEMBL3827517 OBDepict HO N H O N N N CH 3 N N H 3 C N N N O N IC50 = 11.0 nM 476.5 CN(Cc1nc2c(N3CCOCC3)nc(-c3ccncc3)nc2n1C)c1ncc(C(=O)NO)cn1 Homo sapiens CHEMBL3829034 cell-based format
CHEMBL4462577 OBDepict HO NH O N N N CH 3 O N N CH 3 N O CH 3 IC50 = 12.0 nM 461.48 COc1ccc(-c2cc(OCCN(C)c3ncc(C(=O)NO)cn3)c3ncnc(C)c3c2)cn1 Homo sapiens CHEMBL4312253 cell-based format
CHEMBL4782327 OBDepict OH N H O N H O N N H IC50 = 12.6 nM 380.45 O=C(CCCCCCC(=O)Nc1n[nH]c2cc(-c3ccccc3)ccc12)NO Homo sapiens CHEMBL4768535 cell-based format
CHEMBL2408245 OBDepict O OH CH 3 CH 3 H 3 C Ki = 12.81 nM 178.23 CC(C)(C)c1cccc(O)c(=O)c1 Homo sapiens CHEMBL2410190 single protein format
CHEMBL4798826 OBDepict OH HN O HN S O O H 3 C CH 3 H 3 C IC50 = 13.3 nM 348.42 CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(C(=O)NO)cc2)cc1 Homo sapiens CHEMBL4708170 cell-based format
CHEMBL4750701 OBDepict OH N H O N H O F F F F F IC50 = 14.0 nM 346.21 O=C(NO)c1ccc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)cc1 Homo sapiens CHEMBL4708170 cell-based format
CHEMBL2012814 OBDepict CH 3 O H N H O HN O H N H O N H O N H H H 3 C CH 3 IC50 = 15.0 nM 593.77 CCC(=O)CCCCC[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)C[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O Homo sapiens CHEMBL2014773 cell-based format
CHEMBL2235257 OBDepict OH HN O O O CH 3 IC50 = 15.0 nM 293.36 COc1ccc(C(=O)CCCCCCCC(=O)NO)cc1 Homo sapiens CHEMBL3047468 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 CHEMBL3391448 cell-based format
CHEMBL1099048 OBDepict HO N H O N N H 3 C IC50 = 16.0 nM 437.54 Cc1c(Cc2ccccc2)nc(-c2cccc(/C=C/C(=O)NO)c2)n1CCc1ccccc1 Homo sapiens CHEMBL1113907 single protein format
CHEMBL1094793 OBDepict OH N H O N N CH 3 H IC50 = 16.0 nM 383.45 C[C@@H](c1ccccc1)n1c(-c2cccc(/C=C/C(=O)NO)c2)nc2ccccc21 Homo sapiens CHEMBL1113907 single protein format
CHEMBL4637689 OBDepict H 3 C N N H O H N N H F O N O CH 3 IC50 = 16.0 nM 467.55 Cc1cc(C(=O)CCCCC[C@H](NC(=O)C2CN(C)C2)c2ncc(-c3ccccc3F)[nH]2)no1 Homo sapiens CHEMBL4625805 assay format
CHEMBL4460552 OBDepict HO NH O N H CH 3 H O N S N S IC50 = 16.84 nM 490.61 C[C@H](NC(=O)c1nc(-c2ncc(-c3ccccc3)s2)sc1C1CC1)c1ccc(C(=O)NO)cc1 Homo sapiens CHEMBL4357504 cell-based format
CHEMBL1914708 OBDepict _ N + N N N N + N N _ N N H O N H O HO IC50 = 17.0 nM 440.47 [N-]=[N+]=NCc1cc(Cn2cc(NC(=O)CCCCCCC(=O)NO)cn2)cc(N=[N+]=[N-])c1 Homo sapiens CHEMBL1921156 single protein format
CHEMBL3356937 OBDepict HS N H H N H O O H NH O CH 3 IC50 = 17.0 nM 419.59 Cc1cccc(CCNC(=O)[C@H](CCCCCS)NC(=O)[C@@H]2CCCC(=O)N2)c1 Homo sapiens CHEMBL3379482 single protein format
CHEMBL4536105 OBDepict OH HN O O N N CH 3 N F O CH 3 IC50 = 18.0 nM 428.46 COc1ncc(-c2cc(OCCCCCCC(=O)NO)c3ncnc(C)c3c2)cc1F Homo sapiens CHEMBL4312253 cell-based format
CHEMBL3800182 OBDepict CH 3 O S NH O O H 3 C HN O OH IC50 = 19.8 nM 336.37 COc1ccc(C(=O)NO)cc1S(=O)(=O)Nc1ccc(C)cc1 Homo sapiens CHEMBL3803862 single protein format
CHEMBL1096705 OBDepict OH HN O N N CH 3 IC50 = 20.0 nM 437.54 Cc1nc(-c2cccc(/C=C/C(=O)NO)c2)n(CCc2ccccc2)c1Cc1ccccc1 Homo sapiens CHEMBL1113907 single protein format
CHEMBL1095451 OBDepict HO N H O N N CH 3 IC50 = 20.0 nM 423.52 Cc1c(-c2ccccc2)nc(-c2cccc(/C=C/C(=O)NO)c2)n1CCc1ccccc1 Homo sapiens CHEMBL1113907 single protein format
CHEMBL2235251 OBDepict OH NH O HO IC50 = 20.0 nM 283.33 O=C(/C=C/c1ccc(Cc2ccc(CO)cc2)cc1)NO Homo sapiens CHEMBL3047468 single protein format
CHEMBL1094792 OBDepict OH N H O N N CH 3 H IC50 = 20.0 nM 383.45 C[C@H](c1ccccc1)n1c(-c2cccc(/C=C/C(=O)NO)c2)nc2ccccc21 Homo sapiens CHEMBL1113907 single protein format
CHEMBL4747455 OBDepict HO N H O NH O IC50 = 20.4 nM 296.33 O=C(NO)c1ccc(NC(=O)c2ccc(C3CC3)cc2)cc1 Homo sapiens CHEMBL4708170 cell-based format
CHEMBL4846560 OBDepict OH N H O N N N N NH 2 N O NH 2 IC50 = 21.0 nM 410.44 Nc1nc2cc(-c3nn(CCCCCCC(=O)NO)c4ncnc(N)c34)ccc2o1 Homo sapiens CHEMBL4810540 single protein format
CHEMBL3309299 OBDepict HO N H O H H N H O NH H 3 C H 3 C O IC50 = 21.0 nM 399.49 CC1(C)CC(=O)Nc2ccc(C(=O)NC[C@H]3CC[C@@H](/C=C/C(=O)NO)CC3)cc21 Homo sapiens CHEMBL3373321 single protein format
CHEMBL1835418 OBDepict OH NH O NH O H N S S O HN H O O CH 3 H 3 C CH 3 HO IC50 = 21.0 nM 596.77 CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CC2(C[C@H]1C(=O)NCCCCCC(=O)NO)SCCS2 Homo sapiens CHEMBL1838458 assay format
CHEMBL4757957 OBDepict HO N H O N H O CH 3 IC50 = 21.6 nM 270.29 Cc1ccc(C(=O)Nc2ccc(C(=O)NO)cc2)cc1 Homo sapiens CHEMBL4708170 cell-based 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 = 22.0 nM 492.5 CN(Cc1nc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc2n1C)c1ncc(C(=O)NO)cn1 Homo sapiens CHEMBL3829034 cell-based format
CHEMBL1771486 OBDepict HO N H O N H O N N O H O O IC50 = 23.0 nM 568.63 O=C1CC/C=C/CCC(=O)N(Cc2cccc(/C=N/NC(=O)c3cccc(C(=O)NO)c3)c2)C[C@@H](c2ccccc2)O1 Homo sapiens CHEMBL1772083 single protein format
CHEMBL3356933 OBDepict HS N H H N H O O H HN O F F F IC50 = 23.0 nM 459.53 O=C1CCC[C@@H](C(=O)N[C@@H](CCCCCS)C(=O)NCc2ccc(C(F)(F)F)cc2)N1 Homo sapiens CHEMBL3379482 single protein format
CHEMBL4642821 OBDepict OH NH O N O CH 3 H 3 C F F F F F F IC50 = 23.4 nM 434.34 CC(C)N(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(C(=O)NO)cc1 Homo sapiens CHEMBL4619650 assay format
CHEMBL3797516 OBDepict OH HN O O O H 3 C IC50 = 23.9 nM 273.29 COc1ccc(C(=O)NO)cc1OCc1ccccc1 Homo sapiens CHEMBL3803862 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 = 24.0 nM 490.53 CN(Cc1nc2c(N3CCOCC3)nc(-c3ccc(N)cc3)nc2n1C)c1ncc(C(=O)NO)cn1 Homo sapiens CHEMBL3829034 cell-based format
CHEMBL3309300 OBDepict HO N H O H H N H O NH H 3 C H 3 C O IC50 = 24.0 nM 401.51 CC1(C)CC(=O)Nc2ccc(C(=O)NC[C@H]3CC[C@@H](CCC(=O)NO)CC3)cc21 Homo sapiens CHEMBL3373321 single protein format
CHEMBL4792025 OBDepict OH N H O N H O N N H N IC50 = 24.5 nM 381.44 O=C(CCCCCCC(=O)Nc1n[nH]c2cc(-c3ccncc3)ccc12)NO Homo sapiens CHEMBL4768535 cell-based format
CHEMBL408513 OBDepict OH N H O S NH O O Ki = 25.0 nM 318.35 O=C(/C=C/c1cccc(S(=O)(=O)Nc2ccccc2)c1)NO Homo sapiens CHEMBL1216989 single protein format
CHEMBL2235658 OBDepict OH NH O IC50 = 25.0 nM 299.41 O=C(CCCCCCCCc1ccc2ccccc2c1)NO Homo sapiens CHEMBL3047468 single protein format
CHEMBL1096433 OBDepict OH HN O N N CH 3 IC50 = 25.0 nM 423.52 Cc1nc(-c2cccc(/C=C/C(=O)NO)c2)n(CCc2ccccc2)c1-c1ccccc1 Homo sapiens CHEMBL1113907 single protein format
CHEMBL1097761 OBDepict OH HN O N N IC50 = 25.0 nM 397.48 O=C(/C=C/c1cccc(-c2nc3ccccc3n2CCCc2ccccc2)c1)NO Homo sapiens CHEMBL1113907 single protein format
CHEMBL1099096 OBDepict OH HN O N N IC50 = 25.0 nM 383.45 O=C(/C=C/c1cccc(-c2nc3ccccc3n2CCc2ccccc2)c1)NO Homo sapiens CHEMBL1113907 single protein 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 = 26.0 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 CHEMBL1838193 single protein format
CHEMBL3800394 OBDepict HO NH O N H O CH 3 O IC50 = 26.1 nM 362.39 COc1ccc(C(=O)NO)cc1NC(=O)c1ccc(-c2ccccc2)cc1 Homo sapiens CHEMBL3803862 single protein format
CHEMBL609583 OBDepict OH N H O N N N N S O O IC50 = 27.0 nM 413.46 O=C(NO)c1cnc(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)nc1 Homo sapiens CHEMBL1068530 single protein format
CHEMBL4287851 OBDepict HO N H O H N H O IC50 = 27.0 nM 354.45 O=C(CC[C@@H](CCCC(=O)Nc1ccccc1)Cc1ccccc1)NO Homo sapiens CHEMBL4252385 cell-based format
CHEMBL4862549 OBDepict HO N H O N N N N N N N NH 2 N O H 2 N IC50 = 27.0 nM 501.51 Nc1nc2cc(-c3nn(CC4CCN(c5ncc(C(=O)NO)cn5)CC4)c4ncnc(N)c34)ccc2o1 Homo sapiens CHEMBL4810540 single protein format
CHEMBL4078458 OBDepict OH HN O O H 3 C IC50 = 27.0 nM 345.4 COc1ccc(/C=C/C(=O)NO)c(-c2ccc(-c3ccccc3)cc2)c1 Homo sapiens CHEMBL4027192 assay format
CHEMBL4446027 OBDepict HS F H HN O N H O H N H H 3 C CH 3 S N O CH 3 N S IC50 = 27.14 nM 513.69 CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2csc(n2)CNC(=O)C[C@@H](/C(F)=C/CCS)NC1=O Homo sapiens CHEMBL4363860 cell-based format
CHEMBL4560533 OBDepict HO NH O N O NH S O O F CH 3 H 3 C CH 3 IC50 = 28.0 nM 513.59 CC(C)(C)c1ccc(CN(C(=O)CNS(=O)(=O)c2ccc(F)cc2)c2ccc(C(=O)NO)cc2)cc1 Homo sapiens CHEMBL4376729 cell-based format
CHEMBL1914705 OBDepict _ N + N N N N N H O N H O HO IC50 = 28.0 nM 385.43 [N-]=[N+]=Nc1ccc(Cn2cc(NC(=O)CCCCCCC(=O)NO)cn2)cc1 Homo sapiens CHEMBL1921156 single protein format
CHEMBL3309298 OBDepict HO HN O H H N H O NH H 3 C H 3 C O IC50 = 28.0 nM 401.51 CC1(C)CC(=O)Nc2ccc(C(=O)NC[C@H]3CC[C@H](CCC(=O)NO)CC3)cc21 Homo sapiens CHEMBL3373321 single protein format
CHEMBL1771485 OBDepict CH O N N H O NH O OH IC50 = 29.0 nM 337.34 C#CCOc1ccc(/C=N/NC(=O)c2cccc(C(=O)NO)c2)cc1 Homo sapiens CHEMBL1772083 single protein format