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P11511 | CP19A_HUMAN | Aromatase (CYP19A1)

3D structures mapped by conservation among orthologs

[ Domain: "Cytochrome P450" // p450 ]

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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
CHEMBL934 OBDepict O H 3 C CH 3 N N IC50 = 0.0 nM 226.28 CC(C)(C(=O)c1cccnc1)c1cccnc1 Homo sapiens CHEMBL3385621 assay format
CHEMBL1672980 OBDepict N N N O N N CH 3 O S O O NH 2 IC50 = 0.015 nM 476.52 COc1ccc(-c2cc(N(Cc3ccc(OS(N)(=O)=O)cc3)n3cnnc3)ccc2C#N)cc1 Homo sapiens CHEMBL1681078 cell-based format
CHEMBL1672978 OBDepict N N N N N Cl O S O O H 2 N IC50 = 0.015 nM 480.94 N#Cc1ccc(N(Cc2ccc(OS(N)(=O)=O)c(Cl)c2)n2cnnc2)cc1-c1ccccc1 Homo sapiens CHEMBL1681078 cell-based format
CHEMBL1672979 OBDepict N N N N N Br O S O O H 2 N IC50 = 0.018 nM 525.39 N#Cc1ccc(N(Cc2ccc(OS(N)(=O)=O)c(Br)c2)n2cnnc2)cc1-c1ccccc1 Homo sapiens CHEMBL1681078 cell-based format
CHEMBL310735 OBDepict O CH 3 CH 3 H CH 3 IC50 = 0.037 nM 286.46 C[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCCC=C12 Homo sapiens CHEMBL661696 microsome format
CHEMBL305205 OBDepict O CH 3 CH 3 H CH 3 IC50 = 0.049 nM 286.46 C[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCCC=C12 Homo sapiens CHEMBL661696 microsome format
CHEMBL73993 OBDepict O CH 3 CH 3 H HO IC50 = 0.05 nM 288.43 CC12CCC3C(C[C@@H](O)C4=CCCCC43C)C1CCC2=O Homo sapiens CHEMBL661696 microsome format
CHEMBL1672975 OBDepict N N N O N N S O O H 2 N Br IC50 = 0.05 nM 525.39 N#Cc1ccc(N(Cc2ccc(Br)cc2)n2cnnc2)cc1-c1ccc(OS(N)(=O)=O)cc1 Homo sapiens CHEMBL1681078 cell-based format
CHEMBL1957214 OBDepict N S N N Ki = 0.06 nM 239.3 c1cncc(-c2csc(-c3ccncc3)n2)c1 Homo sapiens CHEMBL1961308 single protein format
CHEMBL1672974 OBDepict N N N O N N S O O H 2 N IC50 = 0.1 nM 446.49 N#Cc1ccc(N(Cc2ccccc2)n2cnnc2)cc1-c1ccc(OS(N)(=O)=O)cc1 Homo sapiens CHEMBL1681078 cell-based format
CHEMBL597416 OBDepict N H 3 C H 3 C N N N Cl HO IC50 = 0.1 nM 352.83 CC(C)(C#N)c1cc(Cn2cncn2)cc(-c2ccc(O)c(Cl)c2)c1 Homo sapiens CHEMBL1067556 cell-based format
CHEMBL3623231 OBDepict N N N N Br O S O O NH 2 IC50 = 0.1 nM 462.33 N#Cc1ccc(C(CCc2ccc(OS(N)(=O)=O)c(Br)c2)n2cncn2)cc1 Homo sapiens CHEMBL3624603 cell-based format
CHEMBL70436 OBDepict CH 3 H CH 3 CH 3 O IC50 = 0.11 nM 300.49 CC[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCCC=C12 Homo sapiens CHEMBL661696 microsome format
CHEMBL307581 OBDepict CH 3 O H CH 3 CH 3 O IC50 = 0.12 nM 302.46 CO[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCCC=C12 Homo sapiens CHEMBL661696 microsome format
CHEMBL4520995 OBDepict Br N N N N + N O _ O IC50 = 0.12 nM 374.2 O=[N+]([O-])c1ccc(N(Cc2ccc(Br)cc2)n2cnnc2)cc1 Homo sapiens CHEMBL4398435 microsome format
CHEMBL308537 OBDepict CH 3 O H CH 3 CH 3 O IC50 = 0.13 nM 302.46 CO[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCCC=C12 Homo sapiens CHEMBL661696 microsome format
CHEMBL1399 OBDepict N CH 3 CH 3 N CH 3 H 3 C N N N Ki = 0.13 nM 293.37 CC(C)(C#N)c1cc(Cn2cncn2)cc(C(C)(C)C#N)c1 Homo sapiens CHEMBL1961308 single protein format
CHEMBL1672977 OBDepict N N N N N F O S O O H 2 N IC50 = 0.15 nM 464.48 N#Cc1ccc(N(Cc2ccc(OS(N)(=O)=O)c(F)c2)n2cnnc2)cc1-c1ccccc1 Homo sapiens CHEMBL1681078 cell-based format
CHEMBL597808 OBDepict N N Cl N OH N IC50 = 0.15 nM 310.74 N#Cc1ccc(Cn2cncn2)cc1-c1ccc(O)c(Cl)c1 Homo sapiens CHEMBL1067556 cell-based format
CHEMBL72228 OBDepict H 3 C O O H CH 3 CH 3 O IC50 = 0.16 nM 330.47 CC(=O)O[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCCC=C12 Homo sapiens CHEMBL661696 microsome format
CHEMBL226946 OBDepict N N N N N HO Cl IC50 = 0.18 nM 325.76 N#Cc1ccc(N(Cc2ccc(Cl)c(O)c2)n2cnnc2)cc1 Homo sapiens CHEMBL890184 cell-based format
CHEMBL307643 OBDepict O CH 3 CH 3 H HO IC50 = 0.19 nM 288.43 CC12CCC3C(C[C@H](O)C4=CCCCC43C)C1CCC2=O Homo sapiens CHEMBL661696 microsome format
CHEMBL597606 OBDepict N N N HO N IC50 = 0.2 nM 276.3 N#Cc1ccc(Cn2cncn2)cc1-c1ccc(O)cc1 Homo sapiens CHEMBL1067556 cell-based format
CHEMBL592852 OBDepict N N N N IC50 = 0.2 nM 260.3 N#Cc1ccc(Cn2cncn2)cc1-c1ccccc1 Homo sapiens CHEMBL1067556 cell-based format
CHEMBL3623232 OBDepict N N N N F O S O O H 2 N IC50 = 0.2 nM 387.4 N#Cc1ccc(N(Cc2ccc(OS(N)(=O)=O)cc2F)n2ccnc2)cc1 Homo sapiens CHEMBL3624603 cell-based format
CHEMBL4465348 OBDepict N N N N N F O S O O H 2 N IC50 = 0.2 nM 388.38 N#Cc1ccc(N(Cc2ccc(OS(N)(=O)=O)cc2F)n2cnnc2)cc1 Homo sapiens CHEMBL4398432 single protein format
CHEMBL1672976 OBDepict N N N N N O S O O H 2 N IC50 = 0.21 nM 446.49 N#Cc1ccc(N(Cc2ccc(OS(N)(=O)=O)cc2)n2cnnc2)cc1-c1ccccc1 Homo sapiens CHEMBL1681078 cell-based format
CHEMBL589974 OBDepict N N Cl N N IC50 = 0.22 nM 294.75 N#Cc1ccc(Cn2cncn2)cc1-c1cccc(Cl)c1 Homo sapiens CHEMBL1067556 cell-based format
CHEMBL599864 OBDepict N N OH N Cl N IC50 = 0.22 nM 310.74 N#Cc1ccc(Cn2cncn2)cc1-c1ccc(Cl)c(O)c1 Homo sapiens CHEMBL1067556 cell-based format
CHEMBL304305 OBDepict H 3 C H CH 3 CH 3 O IC50 = 0.23 nM 314.51 CCC[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCCC=C12 Homo sapiens CHEMBL661696 microsome format
CHEMBL3622064 OBDepict N N N N N Br O S O O H 2 N IC50 = 0.25 nM 499.35 N#Cc1ccc(N(Cc2ccc3c(Br)c(OS(N)(=O)=O)ccc3c2)n2cnnc2)cc1 Homo sapiens CHEMBL3627341 cell-based format
CHEMBL3622055 OBDepict N N N N N S Cl OH IC50 = 0.26 nM 371.85 N#Cc1ccc(N(CCSc2ccc(O)c(Cl)c2)n2cnnc2)cc1 Homo sapiens CHEMBL3627341 cell-based format
CHEMBL304770 OBDepict H 3 C O O H CH 3 CH 3 O IC50 = 0.26 nM 330.47 CC(=O)O[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCCC=C12 Homo sapiens CHEMBL661696 microsome format
CHEMBL3622054 OBDepict N N N N N S HO IC50 = 0.28 nM 337.41 N#Cc1ccc(N(CCSc2ccc(O)cc2)n2cnnc2)cc1 Homo sapiens CHEMBL3627341 cell-based format
CHEMBL604716 OBDepict N CH 3 H 3 C N N N Cl O S O O H 2 N IC50 = 0.3 nM 431.91 CC(C)(C#N)c1cc(Cn2cncn2)cc(-c2ccc(OS(N)(=O)=O)c(Cl)c2)c1 Homo sapiens CHEMBL1067556 cell-based format
CHEMBL307690 OBDepict CH 3 H CH 3 CH 3 O IC50 = 0.32 nM 300.49 CC[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCCC=C12 Homo sapiens CHEMBL661696 microsome format
CHEMBL226790 OBDepict N N N N N I HO IC50 = 0.33 nM 417.21 N#Cc1ccc(N(Cc2ccc(O)c(I)c2)n2cnnc2)cc1 Homo sapiens CHEMBL890184 cell-based format
CHEMBL599239 OBDepict N N O N Cl S N O O H 2 N IC50 = 0.35 nM 389.82 N#Cc1ccc(Cn2cncn2)cc1-c1ccc(Cl)c(OS(N)(=O)=O)c1 Homo sapiens CHEMBL1067556 cell-based format
CHEMBL73279 OBDepict CH 3 CH 3 H HO IC50 = 0.36 nM 274.45 CC12CCCC=C1CCC1C2CCC2(C)C1CC[C@@H]2O Homo sapiens CHEMBL661696 microsome format
CHEMBL226999 OBDepict N N N N N HO F F F IC50 = 0.4 nM 359.31 N#Cc1ccc(N(Cc2ccc(C(F)(F)F)c(O)c2)n2cnnc2)cc1 Homo sapiens CHEMBL890184 cell-based format
CHEMBL4227385 OBDepict HO N S N N IC50 = 0.42 nM 255.3 Oc1ccccc1-c1csc(-c2ncccn2)n1 Homo sapiens CHEMBL4222102 single protein format
CHEMBL3622056 OBDepict N N N N N S O S O O H 2 N IC50 = 0.42 nM 416.49 N#Cc1ccc(N(CCSc2ccc(OS(N)(=O)=O)cc2)n2cnnc2)cc1 Homo sapiens CHEMBL3627341 cell-based format
CHEMBL70317 OBDepict H 3 C H CH 3 CH 3 O IC50 = 0.44 nM 314.51 CCC[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCCC=C12 Homo sapiens CHEMBL661696 microsome format
CHEMBL3622057 OBDepict N N N N N S Cl O S O O H 2 N IC50 = 0.45 nM 450.93 N#Cc1ccc(N(CCSc2ccc(OS(N)(=O)=O)c(Cl)c2)n2cnnc2)cc1 Homo sapiens CHEMBL3627341 cell-based format
CHEMBL1672981 OBDepict N N N F N N O S O O H 2 N IC50 = 0.47 nM 464.48 N#Cc1ccc(N(Cc2ccc(OS(N)(=O)=O)cc2)n2cnnc2)cc1-c1ccc(F)cc1 Homo sapiens CHEMBL1681078 cell-based format
CHEMBL592131 OBDepict N N Cl N O N S O O H 2 N IC50 = 0.5 nM 389.82 N#Cc1ccc(Cn2cncn2)cc1-c1ccc(OS(N)(=O)=O)c(Cl)c1 Homo sapiens CHEMBL1067556 cell-based format
CHEMBL596779 OBDepict N N N O N S N O O H 3 C H 3 C IC50 = 0.5 nM 383.43 CN(C)S(=O)(=O)Oc1ccc(-c2cc(Cn3cncn3)ccc2C#N)cc1 Homo sapiens CHEMBL1067556 cell-based format
CHEMBL598224 OBDepict N H 3 C H 3 C N N N IC50 = 0.5 nM 302.38 CC(C)(C#N)c1cc(Cn2cncn2)cc(-c2ccccc2)c1 Homo sapiens CHEMBL1067556 cell-based format
CHEMBL226947 OBDepict N N N N N HO Br IC50 = 0.5 nM 370.21 N#Cc1ccc(N(Cc2ccc(Br)c(O)c2)n2cnnc2)cc1 Homo sapiens CHEMBL890184 cell-based format
CHEMBL108425 OBDepict N N N N N Br IC50 = 0.5 nM 354.21 N#Cc1ccc(N(Cc2ccc(Br)cc2)n2cnnc2)cc1 Homo sapiens CHEMBL661701 assay format
CHEMBL388507 OBDepict N N N N N Cl O HO H 3 C IC50 = 0.51 nM 355.79 COc1cc(CN(c2ccc(C#N)cc2)n2cnnc2)cc(Cl)c1O Homo sapiens CHEMBL890184 cell-based format
CHEMBL3622058 OBDepict N N N N N S O S O O H 2 N IC50 = 0.51 nM 430.52 N#Cc1ccc(N(CCCSc2ccc(OS(N)(=O)=O)cc2)n2cnnc2)cc1 Homo sapiens CHEMBL3627341 cell-based format
CHEMBL390079 OBDepict N N N N N HO F IC50 = 0.6 nM 309.3 N#Cc1ccc(N(Cc2ccc(F)c(O)c2)n2cnnc2)cc1 Homo sapiens CHEMBL890184 cell-based format
CHEMBL453736 OBDepict N N H N N Br OH IC50 = 0.6 nM 355.2 N#Cc1ccc([C@H](c2ccc(O)c(Br)c2)n2cncn2)cc1 Homo sapiens CHEMBL988317 cell-based format
CHEMBL1957217 OBDepict CH 3 O N S N N Ki = 0.65 nM 269.33 COc1cc(-c2nc(-c3cccnc3)cs2)ccn1 Homo sapiens CHEMBL1961308 single protein format
CHEMBL31760 OBDepict N N CH 2 N IC50 = 0.7 nM 195.22 C=C(c1ccc(C#N)cc1)n1ccnc1 Homo sapiens CHEMBL662433 assay format
CHEMBL3622059 OBDepict N N N N N S O S O O NH 2 IC50 = 0.73 nM 458.57 N#Cc1ccc(N(CCCCCSc2ccc(OS(N)(=O)=O)cc2)n2cnnc2)cc1 Homo sapiens CHEMBL3627341 cell-based format
CHEMBL1672982 OBDepict N N N N N N O S O O NH 2 IC50 = 0.75 nM 471.5 N#Cc1ccc(-c2cc(N(Cc3ccc(OS(N)(=O)=O)cc3)n3cnnc3)ccc2C#N)cc1 Homo sapiens CHEMBL1681078 cell-based format
CHEMBL226892 OBDepict N N N N N O F S O O H 2 N IC50 = 0.77 nM 388.38 N#Cc1ccc(N(Cc2ccc(F)c(OS(N)(=O)=O)c2)n2cnnc2)cc1 Homo sapiens CHEMBL890184 cell-based format
CHEMBL598223 OBDepict N N N Cl N HO IC50 = 0.8 nM 310.74 N#Cc1ccc(Cn2cncn2)c(-c2ccc(O)c(Cl)c2)c1 Homo sapiens CHEMBL1067556 cell-based format
CHEMBL108483 OBDepict N N N N N Br O S O O H 2 N IC50 = 0.82 nM 449.29 N#Cc1ccc(N(Cc2ccc(OS(N)(=O)=O)c(Br)c2)n2cnnc2)cc1 Homo sapiens CHEMBL661701 assay format
CHEMBL226842 OBDepict N N N N N HO F F F IC50 = 0.88 nM 359.31 N#Cc1ccc(N(Cc2ccc(O)c(C(F)(F)F)c2)n2cnnc2)cc1 Homo sapiens CHEMBL890184 cell-based format
CHEMBL3818343 OBDepict N N N N Br O S O O H 2 N IC50 = 0.9 nM 448.3 N#Cc1ccc(C(Cc2ccc(OS(N)(=O)=O)c(Br)c2)n2cncn2)cc1 Homo sapiens CHEMBL3820546 cell-based format
CHEMBL390077 OBDepict N N N N N O Cl S O O H 2 N IC50 = 0.92 nM 404.84 N#Cc1ccc(N(Cc2ccc(Cl)c(OS(N)(=O)=O)c2)n2cnnc2)cc1 Homo sapiens CHEMBL890184 cell-based format
CHEMBL3753593 OBDepict O H O H H H CH 3 O Ki = 1.0 nM 314.43 C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43[C@@H]3CO3)[C@@H]1CCC2=O Homo sapiens CHEMBL3756944 single protein format
CHEMBL98998 OBDepict O F F CH 3 O Ki = 1.0 nM 322.39 C[C@]12CCC3C(CCC4=CC(=O)CC[C@@]43C(F)F)C1CCC2=O Homo sapiens CHEMBL661762 single protein format
CHEMBL281433 OBDepict O S CH 3 O Ki = 1.0 nM 330.49 C[C@]12CCC3C(CCC4=CC(=O)CC[C@]43C3CS3)C1CCC2=O Homo sapiens CHEMBL664584 assay format
CHEMBL117 OBDepict OH OH O O IC50 = 1.0 nM 254.24 O=c1cc(-c2ccccc2)oc2cc(O)cc(O)c12 Homo sapiens CHEMBL1105634 assay format
CHEMBL1098382 OBDepict CH 3 O O CH 3 O O O O H 3 C H 3 C IC50 = 1.0 nM 356.37 COc1ccc(C2=C(c3ccc(OC)c(OC)c3)C(=O)OC2)cc1OC Homo sapiens CHEMBL1105634 assay format
CHEMBL3753548 OBDepict CH 3 S H H O H CH 3 O Ki = 1.0 nM 332.51 CSC[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CCC(=O)[C@@]3(C)CC[C@@H]12 Homo sapiens CHEMBL3756956 single protein format
CHEMBL101540 OBDepict H 3 C S O CH 3 O Ki = 1.0 nM 332.51 CSC[C@]12CCC(=O)C=C1CCC1C3CCC(=O)[C@@]3(C)CCC12 Homo sapiens CHEMBL661762 single protein format
CHEMBL388506 OBDepict N N N N N Br HO IC50 = 1.1 nM 370.21 N#Cc1ccc(N(Cc2ccc(O)c(Br)c2)n2cnnc2)cc1 Homo sapiens CHEMBL890184 cell-based format
CHEMBL388093 OBDepict N N N N N OH O CH 3 IC50 = 1.2 nM 321.34 COc1ccc(CN(c2ccc(C#N)cc2)n2cnnc2)cc1O Homo sapiens CHEMBL890184 cell-based format
CHEMBL74339 OBDepict CH 3 H CH 3 CH 3 OH IC50 = 1.3 nM 302.5 CC[C@H]1CC2C(CCC3(C)C(O)CCC23)C2(C)CCCC=C12 Homo sapiens CHEMBL661696 microsome format
CHEMBL98537 OBDepict _ N + N N S H CH 3 CH 3 O O Ki = 1.3 nM 435.59 C[C@]12CCC3C(C1CCC2=O)[C@H](Sc1ccc(N=[N+]=[N-])cc1)CC1=CC(=O)CC[C@@]13C Homo sapiens CHEMBL661762 single protein format
CHEMBL519436 OBDepict Cl N H N N N N H 3 C N IC50 = 1.38 nM 324.78 Cn1nnc2ccc([C@@H](c3ccc(Cl)cc3)n3cncn3)cc21 Homo sapiens CHEMBL988317 cell-based format
CHEMBL3752102 OBDepict H 3 C H H CH 3 H H O CH 3 O Ki = 1.4 nM 342.52 CCCC[C@@H]1C[C@H]2[C@@H]3CCC(=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12 Homo sapiens CHEMBL3756935 assay format
CHEMBL3752668 OBDepict H 3 C H H CH 3 H H O CH 3 O Ki = 1.4 nM 342.52 CCCC[C@H]1C[C@H]2[C@@H]3CCC(=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12 Homo sapiens CHEMBL3756935 assay format
CHEMBL3754220 OBDepict O CH 3 H CH 3 H H H CH 3 O Ki = 1.4 nM 300.44 C[C@@H]1C[C@H]2[C@@H]3CCC(=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12 Homo sapiens CHEMBL3756935 assay format
CHEMBL3752661 OBDepict CH 3 H H CH 3 H H O CH 3 O Ki = 1.4 nM 314.47 CC[C@@H]1C[C@H]2[C@@H]3CCC(=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12 Homo sapiens CHEMBL3756935 assay format
CHEMBL3754471 OBDepict O CH 3 H CH 3 H H H CH 3 O Ki = 1.4 nM 300.44 C[C@H]1C[C@H]2[C@@H]3CCC(=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12 Homo sapiens CHEMBL3756935 assay format
CHEMBL25059 OBDepict H 3 C H CH 3 O CH 3 O Ki = 1.4 nM 314.47 CC[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCC(=O)C=C12 Homo sapiens CHEMBL664890 assay format
CHEMBL9298 OBDepict N N N Ki = 1.5 nM 223.28 N#Cc1ccc(C2CCCc3cncn32)cc1 Homo sapiens CHEMBL661762 single protein format
CHEMBL468419 OBDepict N N N ClH Ki = 1.5 nM 259.74 Cl.N#Cc1ccc(C2CCCc3cncn32)cc1 Homo sapiens CHEMBL664412 single protein format
CHEMBL390496 OBDepict N N N N N I O S O O H 2 N IC50 = 1.5 nM 496.29 N#Cc1ccc(N(Cc2ccc(OS(N)(=O)=O)c(I)c2)n2cnnc2)cc1 Homo sapiens CHEMBL890184 cell-based format
CHEMBL73367 OBDepict OH CH 3 CH 3 H CH 3 IC50 = 1.6 nM 288.48 C[C@@H]1CC2C(CCC3(C)C(O)CCC23)C2(C)CCCC=C12 Homo sapiens CHEMBL661696 microsome format
CHEMBL589738 OBDepict N N N N IC50 = 1.7 nM 260.3 N#Cc1ccc(Cn2cncn2)c(-c2ccccc2)c1 Homo sapiens CHEMBL1067556 cell-based format
CHEMBL104 OBDepict Cl N N IC50 = 1.8 nM 344.85 Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 Homo sapiens CHEMBL1105634 assay format
CHEMBL481091 OBDepict N N N N Br HO IC50 = 1.8 nM 355.2 N#Cc1ccc(C(c2ccc(O)c(Br)c2)n2cncn2)cc1 Homo sapiens CHEMBL988317 cell-based format
CHEMBL513615 OBDepict F N OH N O O Ki = 1.9 nM 312.3 Oc1cc2c(cc1C(c1ccc(F)cc1)n1ccnc1)OCO2 Homo sapiens CHEMBL1011778 single protein format
CHEMBL598212 OBDepict N N N Cl N O S O O NH 2 IC50 = 1.9 nM 389.82 N#Cc1ccc(Cn2cncn2)c(-c2ccc(OS(N)(=O)=O)c(Cl)c2)c1 Homo sapiens CHEMBL1067556 cell-based format
CHEMBL3752770 OBDepict O H S H H H CH 3 O Ki = 2.0 nM 330.49 C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43[C@@H]3CS3)[C@@H]1CCC2=O Homo sapiens CHEMBL3756955 assay format
CHEMBL598199 OBDepict N N N O N S O O H 2 N IC50 = 2.0 nM 355.38 N#Cc1ccc(Cn2cncn2)cc1-c1ccc(OS(N)(=O)=O)cc1 Homo sapiens CHEMBL1067556 cell-based format
CHEMBL294878 OBDepict HO O O OH IC50 = 2.0 nM 254.24 O=c1cc(-c2ccc(O)cc2)oc2cc(O)ccc12 Homo sapiens CHEMBL1105634 assay format
CHEMBL1097371 OBDepict CH 3 H H O H H H 3 C HO O H CH 3 IC50 = 2.0 nM 250.34 CC1=CC[C@@H]2[C@H]1[C@H]1OC(=O)[C@@H](C)[C@@H]1CC[C@]2(C)O Homo sapiens CHEMBL1105634 assay format
CHEMBL1203762 OBDepict N N N ClH IC50 = 2.0 nM 245.71 Cl.N#Cc1ccc(C2CCc3cncn32)cc1 Homo sapiens CHEMBL663244 single protein format
CHEMBL3622063 OBDepict N N N N N Cl O S O O H 2 N IC50 = 2.1 nM 454.9 N#Cc1ccc(N(Cc2ccc3c(Cl)c(OS(N)(=O)=O)ccc3c2)n2cnnc2)cc1 Homo sapiens CHEMBL3627341 cell-based format
CHEMBL1444 OBDepict N N N N N Ki = 2.2 nM 285.31 N#Cc1ccc(C(c2ccc(C#N)cc2)n2cncn2)cc1 Homo sapiens CHEMBL1011778 single protein format
CHEMBL421018 OBDepict O CH 3 CH 3 CH 3 CH 3 O Ki = 2.3 nM 314.47 CC1(C)C[C@@]2(C)C(=CC1=O)CCC1C3CCC(=O)[C@@]3(C)CCC12 Homo sapiens CHEMBL661762 single protein format
CHEMBL3622069 OBDepict N H 3 C H 3 C S N N N IC50 = 2.3 nM 334.45 CC(C)(C#N)c1cc(Cn2cncn2)cc(Sc2ccccc2)c1 Homo sapiens CHEMBL3627343 single protein format