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P35228 | NOS2_HUMAN | "Nitric oxide synthase, inducible" (NOS2)

3D structures mapped by conservation among orthologs

[ Domain: "Flavoproteins" // Flavodoxin_1 ]

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[ Domain: "Nitric oxide (NO) synthase oxygenase domain" // NO_synthase ]

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[ Domain: pdbs with more than 2 multi-domains ]

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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
CHEMBL220632 OBDepict O N H H N N O CH 3 N N O N IC50 = 0.12 nM 420.47 Cc1cc(N2CCC[C@@H]2CC(=O)NCc2ccc3c(c2)OCO3)nc(-n2ccnc2)n1 Homo sapiens CHEMBL920402 cell-based format
CHEMBL220880 OBDepict H 3 C N N N N H N NH O O O IC50 = 0.13 nM 434.5 CCc1cc(N2CCC[C@@H]2CC(=O)NCc2ccc3c(c2)OCO3)nc(-n2ccnc2)n1 Homo sapiens CHEMBL920402 cell-based format
CHEMBL1093059 OBDepict N O CH 3 CH 3 H 3 C H CH 3 O CH 3 H H H 3 C CH 3 O OH IC50 = 0.2 nM 491.67 CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@@H]2C1 Homo sapiens CHEMBL827657 single protein format
CHEMBL385324 OBDepict H 3 C O N O N H N N H O N N N O O IC50 = 0.24 nM 479.5 COC(=O)N1CCN(c2ccnc(-n3ccnc3)n2)[C@@H](CC(=O)NCc2ccc3c(c2)OCO3)C1 Homo sapiens CHEMBL920402 cell-based format
CHEMBL385325 OBDepict O HN N N N N O N N O F N IC50 = 0.28 nM 516.54 O=C(CC1CN(c2cccc(F)n2)CCN1c1ccnc(-n2ccnc2)n1)NCc1ccc2c(c1)OCO2 Homo sapiens CHEMBL920402 cell-based format
CHEMBL376733 OBDepict O N H H N N O N N O N IC50 = 0.28 nM 406.45 O=C(C[C@H]1CCCN1c1ccnc(-n2ccnc2)n1)NCc1ccc2c(c1)OCO2 Homo sapiens CHEMBL920402 cell-based format
CHEMBL376632 OBDepict O N H H N N CH 3 N N O N O IC50 = 0.29 nM 420.47 Cc1cc(N2CCC[C@@H]2C(=O)NCCc2ccc3c(c2)OCO3)nc(-n2ccnc2)n1 Homo sapiens CHEMBL920402 cell-based format
CHEMBL427062 OBDepict O HN H N N N N O N O IC50 = 0.48 nM 406.45 O=C(NCCc1ccc2c(c1)OCO2)[C@H]1CCCN1c1ccnc(-n2ccnc2)n1 Homo sapiens CHEMBL920402 cell-based format
CHEMBL373623 OBDepict CH 3 N N N N H O N N N O O IC50 = 0.48 nM 435.49 CN1CCN(c2ccnc(-n3ccnc3)n2)C(CC(=O)NCc2ccc3c(c2)OCO3)C1 Homo sapiens CHEMBL920402 cell-based format
CHEMBL223788 OBDepict O HN N N O Cl N N O N IC50 = 0.49 nM 454.92 O=C(CC1CCCCN1c1cc(Cl)nc(-n2ccnc2)n1)NCc1ccc2c(c1)OCO2 Homo sapiens CHEMBL920402 cell-based format
CHEMBL442041 OBDepict O HN N N O N N O N IC50 = 0.5 nM 420.47 O=C(CC1CCCCN1c1ccnc(-n2ccnc2)n1)NCc1ccc2c(c1)OCO2 Homo sapiens CHEMBL920402 cell-based format
CHEMBL220932 OBDepict O HN N O N O N N O N IC50 = 0.5 nM 422.45 O=C(CC1COCCN1c1ccnc(-n2ccnc2)n1)NCc1ccc2c(c1)OCO2 Homo sapiens CHEMBL920402 cell-based format
CHEMBL385334 OBDepict O HN N N N O O N N O N IC50 = 0.5 nM 525.57 O=C(CC1CN(C(=O)c2ccccc2)CCN1c1ccnc(-n2ccnc2)n1)NCc1ccc2c(c1)OCO2 Homo sapiens CHEMBL920402 cell-based format
CHEMBL376713 OBDepict O NH N N N O O O N N O N IC50 = 0.5 nM 569.62 O=C(CC1CN(C(=O)COCc2ccccc2)CCN1c1ccnc(-n2ccnc2)n1)NCc1ccc2c(c1)OCO2 Homo sapiens CHEMBL920402 cell-based format
CHEMBL221208 OBDepict CH 3 N N N N H N N H O O O IC50 = 0.52 nM 434.5 CCc1cc(N2CCC[C@@H]2C(=O)NCCc2ccc3c(c2)OCO3)nc(-n2ccnc2)n1 Homo sapiens CHEMBL920402 cell-based format
CHEMBL411343 OBDepict O HN N NH N O N N O N IC50 = 0.55 nM 421.46 O=C(CC1CNCCN1c1ccnc(-n2ccnc2)n1)NCc1ccc2c(c1)OCO2 Homo sapiens CHEMBL920402 cell-based format
CHEMBL424928 OBDepict O HN N N N O O N N O N IC50 = 0.58 nM 501.55 O=C(CC1CN(Cc2ccco2)CCN1c1ccnc(-n2ccnc2)n1)NCc1ccc2c(c1)OCO2 Homo sapiens CHEMBL920402 cell-based format
CHEMBL290548 OBDepict H 3 C O N O N N N H O N N N O O IC50 = 0.6 nM 479.5 COC(=O)N1CCN(c2ccnc(-n3ccnc3)n2)C(CC(=O)NCc2ccc3c(c2)OCO3)C1 Homo sapiens CHEMBL701144 single protein format
CHEMBL223782 OBDepict O N H N N N O O O N N O N IC50 = 0.67 nM 515.53 O=C(CC1CN(C(=O)c2ccco2)CCN1c1ccnc(-n2ccnc2)n1)NCc1ccc2c(c1)OCO2 Homo sapiens CHEMBL920402 cell-based format
CHEMBL373881 OBDepict O HN N N S N O O CH 3 O N N O N IC50 = 0.7 nM 499.55 CS(=O)(=O)N1CCN(c2ccnc(-n3ccnc3)n2)C(CC(=O)NCc2ccc3c(c2)OCO3)C1 Homo sapiens CHEMBL920402 cell-based format
CHEMBL222362 OBDepict O N H H N N O N CH 3 H 3 C O O CH 3 N N N IC50 = 0.75 nM 505.58 Cc1cc(N2CCN(C(=O)C(C)C)[C@H](CC(=O)NCc3ccc4c(c3)OCO4)C2)nc(-n2ccnc2)n1 Homo sapiens CHEMBL920402 cell-based format
CHEMBL374681 OBDepict CH 3 O N H O N N N N N IC50 = 0.8 nM 406.49 COc1ccc(CNC(=O)CC2CCCCN2c2ccnc(-n3ccnc3)n2)cc1 Homo sapiens CHEMBL920402 cell-based format
CHEMBL223792 OBDepict O HN N N N O O O N N O N IC50 = 0.8 nM 555.6 O=C(CC1CN(C(=O)OCc2ccccc2)CCN1c1ccnc(-n2ccnc2)n1)NCc1ccc2c(c1)OCO2 Homo sapiens CHEMBL920402 cell-based format
CHEMBL374319 OBDepict O NH N N N N H O O N N O N IC50 = 0.87 nM 540.58 O=C(CC1CN(C(=O)Nc2ccccc2)CCN1c1ccnc(-n2ccnc2)n1)NCc1ccc2c(c1)OCO2 Homo sapiens CHEMBL920402 cell-based format
CHEMBL222364 OBDepict CH 3 O O N N N N H O N N N O O IC50 = 0.93 nM 507.55 CCOC(=O)CN1CCN(c2ccnc(-n3ccnc3)n2)C(CC(=O)NCc2ccc3c(c2)OCO3)C1 Homo sapiens CHEMBL920402 cell-based format
CHEMBL223791 OBDepict O HN N N N N H O O N N O N IC50 = 0.96 nM 554.61 O=C(CC1CN(C(=O)NCc2ccccc2)CCN1c1ccnc(-n2ccnc2)n1)NCc1ccc2c(c1)OCO2 Homo sapiens CHEMBL920402 cell-based format
CHEMBL374132 OBDepict O NH N N N O H 3 C O N N O N IC50 = 1.0 nM 463.5 CC(=O)N1CCN(c2ccnc(-n3ccnc3)n2)C(CC(=O)NCc2ccc3c(c2)OCO3)C1 Homo sapiens CHEMBL920402 cell-based format
CHEMBL220834 OBDepict O NH N N N O O O N N O CH 3 H 3 C N IC50 = 1.0 nM 507.55 CC(C)OC(=O)N1CCN(c2ccnc(-n3ccnc3)n2)C(CC(=O)NCc2ccc3c(c2)OCO3)C1 Homo sapiens CHEMBL920402 cell-based format
CHEMBL223634 OBDepict O HN N N N O N N O N IC50 = 1.0 nM 511.59 O=C(CC1CN(Cc2ccccc2)CCN1c1ccnc(-n2ccnc2)n1)NCc1ccc2c(c1)OCO2 Homo sapiens CHEMBL920402 cell-based format
CHEMBL223384 OBDepict H 3 C N H N O N N N H O N N N O O IC50 = 1.0 nM 478.51 CNC(=O)N1CCN(c2ccnc(-n3ccnc3)n2)C(CC(=O)NCc2ccc3c(c2)OCO3)C1 Homo sapiens CHEMBL920402 cell-based format
CHEMBL375404 OBDepict H 3 C CH 3 N N N N H O N N N O O IC50 = 1.0 nM 491.6 CC(C)CCN1CCN(c2ccnc(-n3ccnc3)n2)C(CC(=O)NCc2ccc3c(c2)OCO3)C1 Homo sapiens CHEMBL920402 cell-based format
CHEMBL440473 OBDepict O HN N NH N O Cl N N O N IC50 = 1.1 nM 455.91 O=C(CC1CNCCN1c1cc(Cl)nc(-n2ccnc2)n1)NCc1ccc2c(c1)OCO2 Homo sapiens CHEMBL701144 single protein format
CHEMBL223385 OBDepict O NH N N N O O O N N O N IC50 = 1.4 nM 541.57 O=C(CC1CN(C(=O)Oc2ccccc2)CCN1c1ccnc(-n2ccnc2)n1)NCc1ccc2c(c1)OCO2 Homo sapiens CHEMBL920402 cell-based format
CHEMBL220121 OBDepict CH 3 O O CH 3 NH O N N N N N IC50 = 1.5 nM 436.52 COc1ccc(CNC(=O)CC2CCCCN2c2ccnc(-n3ccnc3)n2)cc1OC Homo sapiens CHEMBL920402 cell-based format
CHEMBL1800346 OBDepict NH 2 N H H 3 C H H H Cl ClH Ki = 1.8 nM 195.09 C[C@H]1CC(N)=N[C@@H]2[C@H](Cl)[C@H]12.Cl Homo sapiens CHEMBL2045839 single protein format
CHEMBL220771 OBDepict O N H N N O N CH 3 CH 3 O O H 3 C N N N IC50 = 1.9 nM 505.58 Cc1cc(N2CCN(C(=O)C(C)C)C(CC(=O)NCc3ccc4c(c3)OCO4)C2)nc(-n2ccnc2)n1 Homo sapiens CHEMBL920402 cell-based format
CHEMBL223442 OBDepict O N H N N O N N O N IC50 = 2.0 nM 434.5 O=C(CC1CCCCCN1c1ccnc(-n2ccnc2)n1)NCc1ccc2c(c1)OCO2 Homo sapiens CHEMBL920402 cell-based format
CHEMBL354788 OBDepict F N H F N NH 2 O IC50 = 2.0 nM 249.22 NC1=NC(c2ccco2)Nc2c(F)ccc(F)c21 Homo sapiens CHEMBL701146 single protein format
CHEMBL290548 OBDepict H 3 C O N O N N N H O N N N O O Ki = 2.2 nM 479.5 COC(=O)N1CCN(c2ccnc(-n3ccnc3)n2)C(CC(=O)NCc2ccc3c(c2)OCO3)C1 Homo sapiens CHEMBL702446 single protein format
CHEMBL220156 OBDepict O HN N N S N O O O N N O N IC50 = 2.7 nM 561.62 O=C(CC1CN(S(=O)(=O)c2ccccc2)CCN1c1ccnc(-n2ccnc2)n1)NCc1ccc2c(c1)OCO2 Homo sapiens CHEMBL920402 cell-based format
CHEMBL436535 OBDepict O HN N N N N F N IC50 = 3.0 nM 394.45 O=C(CC1CCCCN1c1ccnc(-n2ccnc2)n1)NCc1ccc(F)cc1 Homo sapiens CHEMBL920402 cell-based format
CHEMBL387348 OBDepict CH 3 O NH O N N N N N IC50 = 3.5 nM 420.52 COc1ccc(CCNC(=O)CC2CCCCN2c2ccnc(-n3ccnc3)n2)cc1 Homo sapiens CHEMBL920402 cell-based format
CHEMBL387349 OBDepict CH 3 O N H O N N N N N IC50 = 3.7 nM 406.49 COc1cccc(CNC(=O)CC2CCCCN2c2ccnc(-n3ccnc3)n2)c1 Homo sapiens CHEMBL920402 cell-based format
CHEMBL221264 OBDepict O NH N N O CH 3 N N O N IC50 = 4.1 nM 434.5 Cc1cc(N2CCCCC2CC(=O)NCc2ccc3c(c2)OCO3)nc(-n2ccnc2)n1 Homo sapiens CHEMBL920402 cell-based format
CHEMBL1944717 OBDepict Cl N N N O N H F F IC50 = 5.0 nM 398.8 O=c1cc(CN(c2cccc(Cl)c2)c2cnccn2)c2ccc(F)c(F)c2[nH]1 Homo sapiens CHEMBL1948397 cell-based format
CHEMBL222619 OBDepict CH 3 O N O N HN O N CH 3 N N N O O IC50 = 5.4 nM 493.52 COC(=O)N1CCN(c2cc(C)nc(-n3ccnc3)n2)CC1CC(=O)NCc1ccc2c(c1)OCO2 Homo sapiens CHEMBL920402 cell-based format
CHEMBL376237 OBDepict O HN N N N N Cl N IC50 = 5.7 nM 410.91 O=C(CC1CCCCN1c1ccnc(-n2ccnc2)n1)NCc1ccc(Cl)cc1 Homo sapiens CHEMBL920402 cell-based format
CHEMBL2096770 OBDepict CH 3 H S H CH 3 N H 2 N IC50 = 6.6 nM 144.24 CC[C@H]1SC(N)=N[C@@H]1C Homo sapiens CHEMBL829346 single protein format
CHEMBL1911882 OBDepict CH 3 N S N N N N H N O O IC50 = 7.0 nM 372.45 CN(CCCNCc1ccc2c(c1)OCO2)c1nc(-n2ccnc2)ns1 Homo sapiens CHEMBL1912693 single protein format
CHEMBL219792 OBDepict O N H N N O CH 3 N O O CH 3 N N N IC50 = 8.5 nM 477.53 CC(=O)N1CCN(c2cc(C)nc(-n3ccnc3)n2)CC1CC(=O)NCc1ccc2c(c1)OCO2 Homo sapiens CHEMBL920402 cell-based format
CHEMBL178205 OBDepict CH 3 H Se H CH 3 N H 2 N IC50 = 9.3 nM 191.14 CC[C@H]1[Se]C(N)=N[C@@H]1C Homo sapiens CHEMBL829346 single protein format
CHEMBL182193 OBDepict CH 3 H N H H 3 C Se NH 2 IC50 = 9.4 nM 191.14 CC[C@H]1N=C(N)[Se][C@@H]1C Homo sapiens CHEMBL829346 single protein format
CHEMBL1221607 OBDepict F NH 2 N N H S IC50 = 10.0 nM 247.3 NC1=NC(c2cccs2)Nc2cccc(F)c21 Homo sapiens CHEMBL1227492 single protein format
CHEMBL1911883 OBDepict CH 3 N N N N CH 3 N HN O O IC50 = 10.0 nM 380.45 Cc1cc(N(C)CCCNCc2ccc3c(c2)OCO3)nc(-n2ccnc2)n1 Homo sapiens CHEMBL1912693 single protein format
CHEMBL1944884 OBDepict CH 3 N N N O N H F F IC50 = 10.0 nM 392.41 Cc1ccccc1CN(Cc1cc(=O)[nH]c2c(F)c(F)ccc12)c1cnccn1 Homo sapiens CHEMBL1948397 cell-based format
CHEMBL374552 OBDepict O NH N N O N N O N IC50 = 10.0 nM 420.47 O=C(CC1CCCCN1c1cc(-n2ccnc2)ncn1)NCc1ccc2c(c1)OCO2 Homo sapiens CHEMBL920402 cell-based format
CHEMBL302657 OBDepict CH 3 N CH 3 H 2 N IC50 = 10.0 nM 150.22 CCCc1cc(C)cc(N)n1 Homo sapiens CHEMBL701150 single protein format
CHEMBL522771 OBDepict Cl N O S CH 3 N O N H F IC50 = 11.0 nM 427.89 Cc1ncsc1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1cccc(Cl)c1 Homo sapiens CHEMBL1806039 single protein format
CHEMBL220559 OBDepict O NH N N N H N N N N IC50 = 11.0 nM 402.46 O=C(CC1CCCCN1c1ccnc(-n2ccnc2)n1)Nc1nc2ccccc2[nH]1 Homo sapiens CHEMBL920402 cell-based format
CHEMBL1945066 OBDepict Cl N N N N N CH 3 O N H F F IC50 = 11.0 nM 452.85 Cn1ncc2c(N(Cc3cc(=O)[nH]c4c(F)c(F)ccc34)c3cccc(Cl)c3)ncnc21 Homo sapiens CHEMBL1948397 cell-based format
CHEMBL4633346 OBDepict O N H N H F NH CH 3 BrH IC50 = 11.0 nM 352.21 Br.CC(=N)Nc1ccc(C(=O)Nc2ccc(F)cc2)cc1 Homo sapiens CHEMBL4621974 assay format
CHEMBL1944724 OBDepict F N N N O N H F F IC50 = 12.0 nM 396.37 O=c1cc(CN(Cc2ccccc2F)c2cnccn2)c2ccc(F)c(F)c2[nH]1 Homo sapiens CHEMBL1948397 cell-based format
CHEMBL223615 OBDepict H 3 C O O H 3 C HN O N N N N N IC50 = 12.0 nM 450.54 COc1ccc(CCNC(=O)CC2CCCCN2c2ccnc(-n3ccnc3)n2)cc1OC Homo sapiens CHEMBL920402 cell-based format
CHEMBL1944721 OBDepict Cl N N N O N H F F IC50 = 12.0 nM 412.83 O=c1cc(CN(Cc2ccccc2Cl)c2cnccn2)c2ccc(F)c(F)c2[nH]1 Homo sapiens CHEMBL1948397 cell-based format
CHEMBL424756 OBDepict O HN N N S O O CH 3 N O O CH 3 N N N IC50 = 12.0 nM 513.58 Cc1cc(N2CCN(S(C)(=O)=O)C(CC(=O)NCc3ccc4c(c3)OCO4)C2)nc(-n2ccnc2)n1 Homo sapiens CHEMBL920402 cell-based format
CHEMBL220122 OBDepict O NH N N CH 3 N O O CH 3 N N N IC50 = 12.0 nM 449.52 Cc1cc(N2CCN(C)C(CC(=O)NCc3ccc4c(c3)OCO4)C2)nc(-n2ccnc2)n1 Homo sapiens CHEMBL920402 cell-based format
CHEMBL1944720 OBDepict F F N H O N N N IC50 = 13.0 nM 378.38 O=c1cc(CN(Cc2ccccc2)c2cnccn2)c2ccc(F)c(F)c2[nH]1 Homo sapiens CHEMBL1948397 cell-based format
CHEMBL1944718 OBDepict Cl N N N O N H F F IC50 = 13.0 nM 398.8 O=c1cc(CN(c2cccc(Cl)c2)c2ncccn2)c2ccc(F)c(F)c2[nH]1 Homo sapiens CHEMBL1948397 cell-based format
CHEMBL1944716 OBDepict Cl N N N O N H F F IC50 = 14.0 nM 398.8 O=c1cc(CN(c2cccc(Cl)c2)c2ccncn2)c2ccc(F)c(F)c2[nH]1 Homo sapiens CHEMBL1948397 cell-based format
CHEMBL191242 OBDepict H 2 N N H CH 3 H H IC50 = 15.0 nM 152.24 C[C@@H]1CC(N)=N[C@@H]2CCC[C@H]12 Homo sapiens CHEMBL877003 single protein format
CHEMBL6808 OBDepict CH 3 N NH 2 IC50 = 16.0 nM 112.18 CC1CCN=C(N)C1 Homo sapiens CHEMBL700509 single protein format
CHEMBL374300 OBDepict O N H N N N N S O O CH 3 N IC50 = 17.0 nM 454.56 CS(=O)(=O)c1ccc(CNC(=O)CC2CCCCN2c2ccnc(-n3ccnc3)n2)cc1 Homo sapiens CHEMBL920402 cell-based format
CHEMBL1945068 OBDepict _ O + N N F F N N Cl IC50 = 17.0 nM 398.8 [O-][n+]1cc(CN(c2cccc(Cl)c2)c2ncccn2)c2ccc(F)c(F)c2c1 Homo sapiens CHEMBL1948397 cell-based format
CHEMBL244395 OBDepict H 3 C N N O O Cl O N O N IC50 = 19.0 nM 422.83 Cc1cc(Oc2ccc3c(c2)OCO3)nc(Oc2ccc(-n3ccnc3)cc2Cl)n1 Homo sapiens CHEMBL887582 cell-based format
CHEMBL220270 OBDepict O HN N N N N O N F F F IC50 = 19.0 nM 460.46 O=C(CC1CCCCN1c1ccnc(-n2ccnc2)n1)NCc1ccc(OC(F)(F)F)cc1 Homo sapiens CHEMBL920402 cell-based format
CHEMBL185024 OBDepict CH 3 N H 3 C NH 2 IC50 = 20.0 nM 126.2 CCC1N=C(N)CC1C Homo sapiens CHEMBL832395 single protein format
CHEMBL352659 OBDepict H 2 N N N H F IC50 = 20.0 nM 219.26 NC1=NC(C2CCC2)Nc2cccc(F)c21 Homo sapiens CHEMBL701146 single protein format
CHEMBL555794 OBDepict CH 3 S N H NH H 2 N BrH BrH Ki = 21.0 nM 371.14 Br.Br.CSCC(=N)Nc1cccc(CN)c1 Homo sapiens CHEMBL702708 single protein format
CHEMBL178622 OBDepict CH 3 H N H H 3 C Se NH 2 IC50 = 21.0 nM 191.14 CC[C@H]1N=C(N)[Se][C@H]1C Homo sapiens CHEMBL829346 single protein format
CHEMBL179441 OBDepict CH 3 H N H H 3 C Se NH 2 IC50 = 21.0 nM 191.14 CC[C@@H]1N=C(N)[Se][C@H]1C Homo sapiens CHEMBL829346 single protein format
CHEMBL1762471 OBDepict HO O O HO CH 3 HN O H Cl Cl IC50 = 22.0 nM 426.3 CNCC[C@@H](Oc1cc(Cl)ccc1Cl)c1ccccc1.O=C(O)/C=C/C(=O)O Homo sapiens CHEMBL1763069 single protein format
CHEMBL191675 OBDepict NH 2 N H H CH 3 H IC50 = 22.0 nM 166.27 C[C@@H]1CC(N)=N[C@@H]2CCCC[C@H]12 Homo sapiens CHEMBL877003 single protein format
CHEMBL223043 OBDepict O HN N N N N CH 3 N IC50 = 23.0 nM 390.49 Cc1ccc(CNC(=O)CC2CCCCN2c2ccnc(-n3ccnc3)n2)cc1 Homo sapiens CHEMBL920402 cell-based format
CHEMBL220123 OBDepict O NH N N N O O CH 3 N N N IC50 = 25.0 nM 525.61 Cc1cc(N2CCN(Cc3ccccc3)C(CC(=O)NCc3ccc4c(c3)OCO4)C2)nc(-n2ccnc2)n1 Homo sapiens CHEMBL920402 cell-based format
CHEMBL220269 OBDepict O NH N N N N N IC50 = 25.0 nM 376.46 O=C(CC1CCCCN1c1ccnc(-n2ccnc2)n1)NCc1ccccc1 Homo sapiens CHEMBL920402 cell-based format
CHEMBL113438 OBDepict H 3 C N NH 2 IC50 = 26.0 nM 168.28 CCCC1CCCCC/C(N)=N1 Homo sapiens CHEMBL701150 single protein format
CHEMBL367556 OBDepict N N O NH N H 2 N F IC50 = 27.0 nM 363.4 N#Cc1ccc(C(=O)N2CCC3(CC2)N=C(N)c2c(F)cccc2N3)cc1 Homo sapiens CHEMBL701146 single protein format
CHEMBL1944890 OBDepict Cl N N N N CH 3 H 3 C O N H F F IC50 = 28.0 nM 441.87 CN(C)c1cc(N(Cc2cc(=O)[nH]c3c(F)c(F)ccc23)c2cccc(Cl)c2)ncn1 Homo sapiens CHEMBL1948397 cell-based format
CHEMBL294609 OBDepict CH 3 CH 3 N CH 3 H 2 N IC50 = 28.0 nM 164.25 Cc1cc(N)nc(CC(C)C)c1 Homo sapiens CHEMBL700509 single protein format
CHEMBL1783094 OBDepict H NH HN H 2 N IC50 = 30.0 nM 99.14 N=C(N)[C@H]1CCN1 Homo sapiens CHEMBL1786326 single protein format
CHEMBL1944712 OBDepict Cl N N O N H F F IC50 = 31.0 nM 397.81 O=c1cc(CN(c2cccc(Cl)c2)c2ccccn2)c2ccc(F)c(F)c2[nH]1 Homo sapiens CHEMBL1948397 cell-based format
CHEMBL1221608 OBDepict O N H O N N H NH 2 F F IC50 = 31.0 nM 320.3 NC1=NC(CCNC(=O)c2ccoc2)Nc2c(F)ccc(F)c21 Homo sapiens CHEMBL1227492 single protein format
CHEMBL428248 OBDepict H 3 C N CH 3 HN Cl N IC50 = 32.0 nM 291.83 CC(C)N(Cc1cc(Cl)ccc1C#N)C1CCNCC1 Homo sapiens CHEMBL946889 cell-based format
CHEMBL373546 OBDepict H 3 C N N N N NH O N N N O O IC50 = 33.0 nM 462.51 C/N=C/N1CCN(c2ccnc(-n3ccnc3)n2)C(CC(=O)NCc2ccc3c(c2)OCO3)C1 Homo sapiens CHEMBL920402 cell-based format
CHEMBL1944886 OBDepict Cl N N N CH 3 O N H F F IC50 = 33.0 nM 412.83 Cc1nccc(N(Cc2cc(=O)[nH]c3c(F)c(F)ccc23)c2cccc(Cl)c2)n1 Homo sapiens CHEMBL1948397 cell-based format
CHEMBL220511 OBDepict H 3 C O N O N H N N H O N N N O O IC50 = 34.0 nM 479.5 COC(=O)N1CCN(c2ccnc(-n3ccnc3)n2)[C@H](CC(=O)NCc2ccc3c(c2)OCO3)C1 Homo sapiens CHEMBL920402 cell-based format
CHEMBL178373 OBDepict CH 3 H Se H CH 3 N H 2 N IC50 = 34.0 nM 191.14 CC[C@@H]1[Se]C(N)=N[C@H]1C Homo sapiens CHEMBL829346 single protein format
CHEMBL266768 OBDepict O NH N N O N N N O N N IC50 = 35.0 nM 486.54 O=C(CC1CCCCN1c1cc(-n2ccnc2)nc(-n2ccnc2)n1)NCc1ccc2c(c1)OCO2 Homo sapiens CHEMBL920402 cell-based format
CHEMBL174290 OBDepict H 3 C O N O N N H NH 2 F IC50 = 35.0 nM 306.34 CCOC(=O)N1CCC2(CC1)N=C(N)c1c(F)cccc1N2 Homo sapiens CHEMBL701146 single protein format
CHEMBL447183 OBDepict N N N O N HN NH 2 F F IC50 = 37.0 nM 382.37 N#Cc1ccc(C(=O)N2CCC3(CC2)N=C(N)c2c(F)ccc(F)c2N3)cn1 Homo sapiens CHEMBL701150 single protein format