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Q13547 | HDAC1_HUMAN | Histone deacetylase 1 (HDAC1)

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
CHEMBL4856052 OBDepict H 3 C N CH 3 NH N N H O NH 2 S IC50 = 0.0 nM 431.57 CN(C)CCNc1ccc2cc(C(=O)Nc3cc(-c4cccs4)ccc3N)ncc2c1 Homo sapiens CHEMBL4831441 single protein format
CHEMBL4860757 OBDepict H 3 C N CH 3 N CH 3 N N H O NH 2 S IC50 = 0.0 nM 445.59 CN(C)CCN(C)c1ccc2cc(C(=O)Nc3cc(-c4cccs4)ccc3N)cnc2c1 Homo sapiens CHEMBL4831441 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 = 0.0015 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 CHEMBL1216982 single protein format
CHEMBL3621294 OBDepict OH HN O NH O N H O N H IC50 = 0.00687 nM 396.45 O=C(CCCCCCC(=O)Nc1ccc2c(c1)/C(=C/c1ccc[nH]1)C(=O)N2)NO Homo sapiens CHEMBL3626708 single protein format
CHEMBL2105763 OBDepict HO NH O N N N NH N CH 3 Ki = 0.03 nM 394.48 Cn1cc(CNCC2CCN(c3ncc(C(=O)NO)cn3)CC2)c2ccccc21 Homo sapiens CHEMBL3598912 single protein format
CHEMBL4861467 OBDepict CH 3 O N H H N N H O H O H 3 C N N IC50 = 0.05 nM 571.77 CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(CC1CC1)CC2)c1ncc(-c2cc3cccnc3cc2OC)[nH]1 Homo sapiens CHEMBL4828007 cell-based format
CHEMBL4250302 OBDepict HO NH O N H H 3 C CH 3 NH O O O CH 3 Ki = 0.056 nM 375.43 COc1ccc(Nc2c(NC(C)(C)CCCCC(=O)NO)c(=O)c2=O)cc1 Homo sapiens CHEMBL4236282 single protein format
CHEMBL4239232 OBDepict HO NH O N H NH O O H 3 C Ki = 0.057 nM 331.37 Cc1ccc(Nc2c(NCCCCCC(=O)NO)c(=O)c2=O)cc1 Homo sapiens CHEMBL4236282 single protein format
CHEMBL4237636 OBDepict HO N H O N H NH O O O CH 3 Ki = 0.063 nM 387.44 COc1ccc(Nc2c(NC3(CCCCC(=O)NO)CCC3)c(=O)c2=O)cc1 Homo sapiens CHEMBL4236282 single protein format
CHEMBL4237803 OBDepict HO NH O N H NH O O O CH 3 Ki = 0.075 nM 347.37 COc1ccc(Nc2c(NCCCCCC(=O)NO)c(=O)c2=O)cc1 Homo sapiens CHEMBL4236282 single protein format
CHEMBL4641682 OBDepict H 3 C N N H O H N N H F O N O IC50 = 0.08 nM 453.52 CN1CC(C(=O)N[C@@H](CCCCCC(=O)c2ccon2)c2ncc(-c3ccccc3F)[nH]2)C1 Homo sapiens CHEMBL4625801 cell-based format
CHEMBL4649205 OBDepict CH 3 O N H H N N H O H O N H 3 C N IC50 = 0.085 nM 571.77 CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(CC1CC1)CC2)c1ncc(-c2cc3ccccc3nc2OC)[nH]1 Homo sapiens CHEMBL4623361 single protein format
CHEMBL4251203 OBDepict HO NH O N H H 3 C NH O O H 3 C Ki = 0.097 nM 345.4 Cc1ccc(Nc2c(NC(C)CCCCC(=O)NO)c(=O)c2=O)cc1 Homo sapiens CHEMBL4236282 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 = 0.11 nM 559.76 CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(C(C)C)CC2)c1ncc(-c2cc3ccccc3nc2OC)[nH]1 Homo sapiens CHEMBL4623361 single protein format
CHEMBL2000089 OBDepict O N H H HN H O NH O H N H O O H O IC50 = 0.11 nM 588.71 O=C1N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCCCC(=O)[C@@H]2CO2)C(=O)N[C@H]1Cc1ccccc1 Homo sapiens CHEMBL1036437 cell-based format
CHEMBL4876610 OBDepict H 3 C O H N H N N O H H N O N O IC50 = 0.11 nM 587.76 CCC(=O)CCCCC[C@@H]1NC(=O)[C@H]2CC23CCN(CCCOCCn2ccc4cc(ccc4c2=O)-c2cnc1[nH]2)CC3 Homo sapiens CHEMBL4813303 single protein format
CHEMBL4246561 OBDepict HO HN O N H CH 3 H O HN O N H F F F Ki = 0.15 nM 438.41 C[C@H](CCCCC(=O)NO)Nc1c(Nc2ccc3cc(C(F)(F)F)[nH]c3c2)c(=O)c1=O Homo sapiens CHEMBL4236282 single protein format
CHEMBL4438063 OBDepict O O H NH N H O H 3 C H 3 C H N O HN O H IC50 = 0.15 nM 512.65 CC1(C)NC[C@H](CCCCCC(=O)C2CO2)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O Homo sapiens CHEMBL4422795 single protein format
CHEMBL4637689 OBDepict H 3 C N N H O H N N H F O N O CH 3 IC50 = 0.16 nM 467.55 Cc1cc(C(=O)CCCCC[C@H](NC(=O)C2CN(C)C2)c2ncc(-c3ccccc3F)[nH]2)no1 Homo sapiens CHEMBL4625801 cell-based format
CHEMBL4862152 OBDepict H 3 C O N H H N O O H O CH 3 N N H 3 C IC50 = 0.17 nM 586.78 CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(CC1CC1)CC2)c1ncc(-c2cc3ccc(C)nc3cc2OC)o1 Homo sapiens CHEMBL4828007 cell-based format
CHEMBL4642518 OBDepict H 3 C O N H H N N H O H O N CH 3 N H 3 C IC50 = 0.19 nM 531.7 CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(C)CC2)c1ncc(-c2cc3ccccc3nc2OC)[nH]1 Homo sapiens CHEMBL4623361 single protein format
CHEMBL4532398 OBDepict HO N H O N N N N N O NH N O O H H 3 C IC50 = 0.19 nM 566.66 C[C@@H]1CN(C(=O)Nc2ccc(-c3nc(N4CCOCC4)c4cnn(CCCCCCC(=O)NO)c4n3)cc2)CCO1 Homo sapiens CHEMBL4413539 single protein format
CHEMBL4780309 OBDepict H 3 C O NH H N N H O H N N CH 3 H IC50 = 0.2 nM 539.72 CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(C)CC2)c1ncc(-c2ccc3[nH]c4ccccc4c3c2)[nH]1 Homo sapiens CHEMBL4689533 single protein format
CHEMBL4634501 OBDepict H 3 C N N H O H N O F O N O IC50 = 0.2 nM 454.5 CN1CC(C(=O)N[C@@H](CCCCCC(=O)c2ccon2)c2ncc(-c3ccccc3F)o2)C1 Homo sapiens CHEMBL4625801 cell-based format
CHEMBL4746782 OBDepict H 3 C O HN H N N H O N H N CH 3 N IC50 = 0.2 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 CHEMBL4669389 single protein format
CHEMBL2047701 OBDepict SH NH O N OH Br Br HO IC50 = 0.2 nM 412.1 O=C(NCCS)/C(Cc1cc(Br)c(O)c(Br)c1)=N/O Homo sapiens CHEMBL2050420 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 = 0.2 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 CHEMBL3366145 single protein format
CHEMBL235842 OBDepict CH 3 HN O N H O H 2 N S Ki < 0.2 nM 351.43 CC(=O)Nc1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1 Homo sapiens CHEMBL3830868 cell-based format
CHEMBL3317811 OBDepict HS H O O O N H H HN O S N H 3 C N S HO IC50 = 0.21 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 CHEMBL3366145 single protein format
CHEMBL4552057 OBDepict HO N H O N N N N N O NH 2 IC50 = 0.21 nM 439.52 Nc1ccc(-c2nc(N3CCOCC3)c3cnn(CCCCCCC(=O)NO)c3n2)cc1 Homo sapiens CHEMBL4413539 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 = 0.22 nM 545.73 CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(CC)CC2)c1ncc(-c2cc3ccccc3nc2OC)[nH]1 Homo sapiens CHEMBL4623361 single protein format
CHEMBL4241807 OBDepict HO N H O N H HN O O F F F Ki = 0.23 nM 385.34 O=C(CCCCCNc1c(Nc2ccc(C(F)(F)F)cc2)c(=O)c1=O)NO Homo sapiens CHEMBL4236282 single protein format
CHEMBL99 OBDepict HO NH O CH 3 H 3 C H O N H 3 C CH 3 Ki = 0.23 nM 302.37 CC(/C=C/C(=O)NO)=C[C@@H](C)C(=O)c1ccc(N(C)C)cc1 Homo sapiens CHEMBL1166728 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 = 0.24 nM 559.76 CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCC(N(C)C)CC2)c1ncc(-c2cc3ccccc3nc2OC)[nH]1 Homo sapiens CHEMBL4623361 single protein format
CHEMBL2408778 OBDepict OH HN O N N N N N N N NH 2 Cl Ki = 0.26 nM 517.98 Nc1ncnc2c1c(-c1ccc(Cl)cc1)nn2-c1cccc(-c2cnnn2CCCCCC(=O)NO)c1 Homo sapiens CHEMBL2410769 single protein format
CHEMBL4241370 OBDepict HO N H O N H CH 3 H 3 C HN O O F F F Ki = 0.27 nM 413.4 CC(C)(CCCCC(=O)NO)Nc1c(Nc2ccc(C(F)(F)F)cc2)c(=O)c1=O Homo sapiens CHEMBL4236282 single protein format
CHEMBL4247370 OBDepict HO NH O N H O NH O N H CH 3 Ki = 0.27 nM 370.41 Cc1cc2ccc(Nc3c(NCCCCCC(=O)NO)c(=O)c3=O)cc2[nH]1 Homo sapiens CHEMBL4236282 single protein format
CHEMBL4250739 OBDepict HO NH O N H H 3 C NH O O O CH 3 Ki = 0.27 nM 361.4 COc1ccc(Nc2c(NC(C)CCCCC(=O)NO)c(=O)c2=O)cc1 Homo sapiens CHEMBL4236282 single protein format
CHEMBL4240635 OBDepict HO N H O N H H 3 C HN O O F F F Ki = 0.28 nM 399.37 CC(CCCCC(=O)NO)Nc1c(Nc2ccc(C(F)(F)F)cc2)c(=O)c1=O Homo sapiens CHEMBL4236282 single protein format
CHEMBL4251365 OBDepict HO N H O N H HN O O Ki = 0.29 nM 317.35 O=C(CCCCCNc1c(Nc2ccccc2)c(=O)c1=O)NO Homo sapiens CHEMBL4236282 single protein format
CHEMBL3317810 OBDepict SH H O O N H O H NH S N O CH 3 N S IC50 = 0.29 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 CHEMBL3366145 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 = 0.29 nM 559.76 CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CCC12CCN(CC)CC2)c1ncc(-c2cc3ccccc3nc2OC)[nH]1 Homo sapiens CHEMBL4623361 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 = 0.3 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 CHEMBL4669389 single protein format
CHEMBL4856631 OBDepict CH 3 O N H H N N H O H N CH 3 O N CH 3 IC50 < 0.3 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 CHEMBL4813303 single protein format
CHEMBL4248374 OBDepict HO NH O N H O NH O H 3 C Ki = 0.39 nM 331.37 Cc1cccc(Nc2c(NCCCCCC(=O)NO)c(=O)c2=O)c1 Homo sapiens CHEMBL4236282 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 = 0.4 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 CHEMBL4669389 single protein 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 = 0.4 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 CHEMBL3368832 cell-based format
CHEMBL360194 OBDepict HO NH O H HN O N H O H N H 3 C CH 3 O NH O H IC50 = 0.4 nM 515.61 CC1(C)NC(=O)[C@H](CCCCCC(=O)NO)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O Homo sapiens CHEMBL921168 cell-based format
CHEMBL4785376 OBDepict CH 3 N H HN O H N N H O H 2 N O F CH 3 IC50 = 0.4 nM 525.67 CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(CC)CC2)c1[nH]c(-c2ccc(F)cc2)nc1C(N)=O Homo sapiens CHEMBL4669389 single protein 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 = 0.45 nM 505.54 COc1ccc(-c2nc(N3CCOCC3)c3nc(CN(C)c4ncc(C(=O)NO)cn4)n(C)c3n2)cc1 Homo sapiens CHEMBL3828935 cell-based 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 = 0.46 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 CHEMBL4363856 cell-based format
CHEMBL2047694 OBDepict SH NH O N OH Br S H 3 C IC50 = 0.48 nM 363.3 CSc1ccc(C/C(=NO)C(=O)NCCS)cc1Br Homo sapiens CHEMBL2050420 single protein format
CHEMBL3218562 OBDepict CH 3 H NH O N H O H H O S O HN S O H H 3 C H 3 C H OH IC50 = 0.48 nM 515.7 CCCC[C@H]1NC(=O)C[C@H]2/C=C/CCSSC[C@@H](NC1=O)C(=O)N[C@H](C(C)C)[C@@H](O)CC(=O)O2 Homo sapiens CHEMBL3227883 single protein format
CHEMBL3828636 OBDepict HO N H O N N N CH 3 N N H 3 C N N N O N IC50 = 0.49 nM 476.5 CN(Cc1nc2c(N3CCOCC3)nc(-c3cccnc3)nc2n1C)c1ncc(C(=O)NO)cn1 Homo sapiens CHEMBL3828935 cell-based format
CHEMBL4787120 OBDepict HO N H O N N N N N OH O F IC50 = 0.49 nM 458.49 O=C(CCCCCCn1cnc2c(N3CCOCC3)nc(-c3ccc(F)c(O)c3)nc21)NO Homo sapiens CHEMBL4707179 subcellular format
CHEMBL4244350 OBDepict HO NH O N H O NH O O N H 3 C CH 3 H 3 C Ki = 0.5 nM 390.44 COc1cc(Nc2c(NCCCCCC(=O)NO)c(=O)c2=O)ccc1N(C)C Homo sapiens CHEMBL4236282 single protein format
CHEMBL4742026 OBDepict CH 3 O N H H N N H O H N CH 3 N CH 3 IC50 = 0.5 nM 503.69 CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(C)CC2)c1ncc(-c2cn(C)c3ccccc23)[nH]1 Homo sapiens CHEMBL4689533 single protein format
CHEMBL4249385 OBDepict H 3 C NH O N H O NH O HO F F F Ki = 0.51 nM 413.4 CCC(CCCCC(=O)NO)Nc1c(Nc2ccc(C(F)(F)F)cc2)c(=O)c1=O Homo sapiens CHEMBL4236282 single protein format
CHEMBL4094507 OBDepict OH HN O N H O N H N N N N O H 3 C CH 3 IC50 = 0.53 nM 521.62 CN(C)C(=O)c1cc2cnc(Nc3ccc(C(=O)NCCCCCC(=O)NO)cc3)nc2n1C1CCCC1 Homo sapiens CHEMBL4024306 single protein format
CHEMBL4746359 OBDepict O O NH H O H NH O HN O S H H N H S H 3 C H 3 C O IC50 = 0.54 nM 562.71 CC(C)[C@H]1NC(=O)C[C@H]2/C=C/CCSSC[C@@H](NC1=O)C(=O)N[C@H](Cc1ccccc1)C(=O)NCC(=O)O2 Homo sapiens CHEMBL4718478 cell-based format
CHEMBL356066 OBDepict OH N N H NH O HO Ki = 0.55 nM 379.46 O=C(/C=C/c1ccc(CN(CCO)CCc2c[nH]c3ccccc23)cc1)NO Homo sapiens CHEMBL1216982 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 = 0.55 nM 476.5 CN(Cc1nc2c(N3CCOCC3)nc(-c3ccncc3)nc2n1C)c1ncc(C(=O)NO)cn1 Homo sapiens CHEMBL3828935 cell-based format
CHEMBL3828492 OBDepict HO N H O N N N CH 3 N N H 3 C N N N O OH IC50 = 0.55 nM 491.51 CN(Cc1nc2c(N3CCOCC3)nc(-c3cccc(O)c3)nc2n1C)c1ncc(C(=O)NO)cn1 Homo sapiens CHEMBL3828935 cell-based format
CHEMBL4245007 OBDepict HO NH O N H N H O O Ki = 0.56 nM 331.37 O=C(CCCCCCNc1c(Nc2ccccc2)c(=O)c1=O)NO Homo sapiens CHEMBL4236282 single protein format
CHEMBL4242292 OBDepict HO HN O N H CH 3 H HN O O O F F F Ki = 0.58 nM 415.37 C[C@H](CCCCC(=O)NO)Nc1c(Nc2ccc(OC(F)(F)F)cc2)c(=O)c1=O Homo sapiens CHEMBL4236282 single protein format
CHEMBL3759059 OBDepict H 3 C O N Br HN O O HN OH IC50 = 0.6 nM 386.25 COc1ccc(Br)c(/C=N/NC(=O)CCCCCC(=O)NO)c1 Homo sapiens CHEMBL3761791 single protein format
CHEMBL4455057 OBDepict OH N H O N CH 3 N N IC50 = 0.6 nM 390.49 Cc1nn2ccccc2c1CCN1CCCC1c1ccc(/C=C/C(=O)NO)cc1 Homo sapiens CHEMBL4422734 cell-based format
CHEMBL4748244 OBDepict CH 3 O N H H N N H O O NH 2 H N F H 3 C IC50 = 0.6 nM 511.64 CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(C)CC2)c1[nH]c(-c2ccc(F)cc2)nc1C(N)=O Homo sapiens CHEMBL4669389 single protein format
CHEMBL2047702 OBDepict SH NH O N OH O S CH 3 CH 3 IC50 = 0.6 nM 314.43 COc1cc(C/C(=NO)C(=O)NCCS)ccc1SC Homo sapiens CHEMBL2050420 single protein format
CHEMBL4798716 OBDepict HO N H O N N N N N O O NH 2 IC50 = 0.61 nM 467.53 NC(=O)c1ccc(-c2nc(N3CCOCC3)c3ncn(CCCCCCC(=O)NO)c3n2)cc1 Homo sapiens CHEMBL4707179 subcellular format
CHEMBL4853593 OBDepict CH 3 O H NH N N O H H N O N O IC50 = 0.61 nM 573.74 CCC(=O)CCCCC[C@@H]1NC(=O)[C@H]2CC23CCN(CCOCCn2ccc4cc(ccc4c2=O)-c2cnc1[nH]2)CC3 Homo sapiens CHEMBL4813303 single protein format
CHEMBL2105763 OBDepict HO NH O N N N NH N CH 3 IC50 = 0.617 nM 394.48 Cn1cc(CNCC2CCN(c3ncc(C(=O)NO)cn3)CC2)c2ccccc21 Homo sapiens CHEMBL4376737 cell-based format
CHEMBL2408777 OBDepict OH N H O N N N N N N N NH 2 Cl Ki = 0.62 nM 517.98 Nc1ncnc2c1c(-c1ccc(Cl)cc1)nn2-c1cccc(-c2cn(CCCCCC(=O)NO)nn2)c1 Homo sapiens CHEMBL2410769 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 = 0.65 nM 490.53 CN(Cc1nc2c(N3CCOCC3)nc(-c3ccc(N)cc3)nc2n1C)c1ncc(C(=O)NO)cn1 Homo sapiens CHEMBL3828935 cell-based format
CHEMBL4246919 OBDepict HO N H O N H H 3 C HN O O Ki = 0.69 nM 331.37 CC(CCCCC(=O)NO)Nc1c(Nc2ccccc2)c(=O)c1=O Homo sapiens CHEMBL4236282 single protein format
CHEMBL4748726 OBDepict OH N H O N N N N N N N H 2 N OH IC50 = 0.69 nM 455.52 Nc1ncc(-c2nc(N3CCC(O)CC3)c3ncn(CCCCCCC(=O)NO)c3n2)cn1 Homo sapiens CHEMBL4707179 subcellular format
CHEMBL3759921 OBDepict OH NH O N H O N IC50 = 0.7 nM 367.45 O=C(CCCCCCC(=O)N/N=C/c1ccc(-c2ccccc2)cc1)NO Homo sapiens CHEMBL3761791 single protein format
CHEMBL4638330 OBDepict H 3 C O N H H N N H O H O N N CH 3 H 3 C IC50 = 0.72 nM 503.65 CCC(=O)CCCCC[C@H](NC(=O)[C@@H]1CC12CN(C)C2)c1ncc(-c2cc3ccccc3nc2OC)[nH]1 Homo sapiens CHEMBL4623361 single protein format
CHEMBL3930620 OBDepict HO NH O N N N N N NH F Cl IC50 = 0.72 nM 483.94 O=C(CCCCCCn1cc(-c2ccc3ncnc(Nc4cccc(Cl)c4F)c3c2)nn1)NO Homo sapiens CHEMBL3870706 single protein format
CHEMBL4642874 OBDepict OH N H O N H O O IC50 = 0.72 nM 390.44 O=C(NO)c1ccc(NC(=O)C2(c3ccc4ccccc4c3)CCOCC2)cc1 Homo sapiens CHEMBL4606150 single protein format
CHEMBL2313363 OBDepict O O H H OH H N H O HN CH 3 H 3 C O S H H N H S CH 3 H 3 C O IC50 = 0.75 nM 501.67 CC(C)[C@H]1NC(=O)C[C@H]2/C=C/CCSSC[C@@H](NC1=O)C(=O)N[C@H](C(C)C)[C@@H](O)CC(=O)O2 Homo sapiens CHEMBL2318096 single protein format
CHEMBL4753381 OBDepict HO O N N N N N O N H O HO IC50 = 0.76 nM 484.56 O=C(CCCCCCn1cnc2c(N3CCOCC3)nc(-c3cccc(OCCO)c3)nc21)NO Homo sapiens CHEMBL4707179 subcellular format
CHEMBL4472220 OBDepict OH HN O N N N CH 3 CH 3 CH 3 H 3 C H 3 C H 3 C CH 3 IC50 = 0.78 nM 372.51 CN(Cc1c(C(C)(C)C)nc2cc(/C=C/C(=O)NO)ccn12)CC(C)(C)C Homo sapiens CHEMBL4422738 cell-based format
CHEMBL4846560 OBDepict OH N H O N N N N NH 2 N O NH 2 IC50 = 0.78 nM 410.44 Nc1nc2cc(-c3nn(CCCCCCC(=O)NO)c4ncnc(N)c34)ccc2o1 Homo sapiens CHEMBL4810528 single protein format
CHEMBL4742983 OBDepict HO N H O N N N N N HN O O CH 3 IC50 = 0.78 nM 481.56 CC(=O)Nc1cccc(-c2nc(N3CCOCC3)c3ncn(CCCCCCC(=O)NO)c3n2)c1 Homo sapiens CHEMBL4707179 subcellular format
CHEMBL4644118 OBDepict H 3 C O N H H N N H O H O N N CH 3 H 3 C IC50 = 0.8 nM 517.67 CCC(=O)CCCCC[C@H](NC(=O)[C@H]1C[C@]12CCN(C)C2)c1ncc(-c2cc3ccccc3nc2OC)[nH]1 Homo sapiens CHEMBL4623361 single protein format
CHEMBL4543166 OBDepict OH N H O N N N CH 3 CH 3 H IC50 = 0.8 nM 382.51 CCc1n[nH]c(CC)c1CCN1CCCC1c1ccc(/C=C/C(=O)NO)cc1 Homo sapiens CHEMBL4422734 cell-based format
CHEMBL3827296 OBDepict OH N H O N N N H 3 C N N CH 3 N N N O N CH 3 H 3 C IC50 = 0.81 nM 518.58 CN(C)c1ccc(-c2nc(N3CCOCC3)c3nc(CN(C)c4ncc(C(=O)NO)cn4)n(C)c3n2)cc1 Homo sapiens CHEMBL3828935 cell-based format
CHEMBL2408779 OBDepict OH N H O N N N N N N N NH 2 Cl Ki = 0.82 nM 532.01 Nc1ncnc2c1c(-c1ccc(Cl)cc1)nn2-c1cccc(-c2cnnn2CCCCCCC(=O)NO)c1 Homo sapiens CHEMBL2410766 single protein format
CHEMBL4069404 OBDepict OH HN O HN O N H N N N N O H 3 C CH 3 IC50 = 0.84 nM 521.62 CN(C)C(=O)c1cc2cnc(Nc3ccc(NC(=O)CCCCCC(=O)NO)cc3)nc2n1C1CCCC1 Homo sapiens CHEMBL4024306 single protein format
CHEMBL4740827 OBDepict OH N H O N N N N N O O NH 2 IC50 = 0.84 nM 467.53 NC(=O)c1cccc(-c2nc(N3CCOCC3)c3ncn(CCCCCCC(=O)NO)c3n2)c1 Homo sapiens CHEMBL4707179 subcellular 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 CHEMBL1216982 single protein format
CHEMBL4785064 OBDepict HO N H O N N N N N N O NH 2 IC50 = 0.85 nM 440.51 Nc1ccc(-c2nc(N3CCOCC3)c3ncn(CCCCCCC(=O)NO)c3n2)cn1 Homo sapiens CHEMBL4707179 subcellular format
CHEMBL3827865 OBDepict OH N H O N N N H 3 C N N H 3 C N N N O S O O CH 3 IC50 = 0.85 nM 553.61 CN(Cc1nc2c(N3CCOCC3)nc(-c3ccc(S(C)(=O)=O)cc3)nc2n1C)c1ncc(C(=O)NO)cn1 Homo sapiens CHEMBL3828935 cell-based format
CHEMBL4760754 OBDepict OH N H O N N N N N O O HO CH 3 IC50 = 0.89 nM 484.56 COc1ccc(-c2nc(N3CCOCC3)c3ncn(CCCCCCC(=O)NO)c3n2)cc1CO Homo sapiens CHEMBL4707179 subcellular format
CHEMBL4648704 OBDepict H 3 C N H NH O H N O O N CH 3 O H 3 C IC50 = 0.9 nM 546.71 CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(CC)CC2)c1ncc(-c2cc3ccccc3nc2OC)o1 Homo sapiens CHEMBL4623361 single protein format
CHEMBL2047540 OBDepict SH N H O N HO Br OH IC50 = 0.9 nM 333.21 O=C(NCCS)/C(Cc1ccc(O)c(Br)c1)=N/O Homo sapiens CHEMBL2050420 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 = 0.9 nM 529.13 CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(CC)CC2)c1ncc(-c2cc(Cl)ccc2OC)[nH]1 Homo sapiens CHEMBL4689536 single protein format
CHEMBL4745088 OBDepict CH 3 O N H H N N H O H N N CH 3 IC50 = 0.9 nM 501.68 CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(C)CC2)c1ncc(-c2cnc3ccccc3c2)[nH]1 Homo sapiens CHEMBL4689533 single protein format
CHEMBL4574244 OBDepict OH HN O N N N IC50 = 0.9 nM 376.46 O=C(/C=C/c1ccc(C2CCCN2CCc2cnn3ccccc23)cc1)NO Homo sapiens CHEMBL4422734 cell-based format