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P29475 | NOS1_HUMAN | "Nitric oxide synthase, brain" (NOS1)

3D structures mapped by conservation among orthologs

[ 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
CHEMBL474637 OBDepict Cl N H NH H HN H N CH 3 NH 2 Ki = 0.085 nM 373.93 Cc1cc(N)nc(C[C@H]2CNC[C@H]2NCCNCc2ccc(Cl)cc2)c1 Homo sapiens CHEMBL1011817 single protein format
CHEMBL228077 OBDepict _ O + N N H O N H 2 N H 2 N H N H O H NH H O H 2 N Ki = 0.1 nM 330.35 NC(=O)[C@@H]1C[C@@H](NC(=O)[C@@H](N)CCC/N=C(N)N[N+](=O)[O-])CN1 Homo sapiens CHEMBL1011817 single protein format
CHEMBL227937 OBDepict H 2 N HN H 2 N H HN N H NH + N O _ O Ki = 0.15 nM 247.3 N=C(NCCC[C@H](N)CNCCN)N[N+](=O)[O-] Homo sapiens CHEMBL1011817 single protein format
CHEMBL526688 OBDepict Cl N H HN H NH H N CH 3 H 2 N Ki = 0.25 nM 373.93 Cc1cc(N)nc(C[C@H]2CNC[C@@H]2NCCNCc2cccc(Cl)c2)c1 Homo sapiens CHEMBL1011817 single protein format
CHEMBL510760 OBDepict H 2 N HN H N H H N H 2 N Ki = 0.388 nM 235.34 NCCN[C@@H]1CNC[C@@H]1Cc1cccc(N)n1 Homo sapiens CHEMBL1011817 single protein format
CHEMBL594682 OBDepict F N H NH H HN H N CH 3 NH 2 Ki = 5.3 nM 371.5 Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2NCCNCCc2cccc(F)c2)c1 Homo sapiens CHEMBL1767570 single protein format
CHEMBL552825 OBDepict H 2 N N H NH O BrH BrH Ki = 6.3 nM 377.08 Br.Br.N=C(Nc1cccc(CN)c1)c1ccco1 Homo sapiens CHEMBL752276 single protein format
CHEMBL96680 OBDepict NH 2 N H HN O Ki = 6.3 nM 215.26 N=C(Nc1cccc(CN)c1)c1ccco1 Homo sapiens CHEMBL1002712 single protein format
CHEMBL262040 OBDepict NH 2 N H HN S Ki = 8.7 nM 231.32 N=C(Nc1cccc(CN)c1)c1cccs1 Homo sapiens CHEMBL1002712 single protein format
CHEMBL555715 OBDepict H 2 N N H NH S BrH BrH Ki = 8.7 nM 393.15 Br.Br.N=C(Nc1cccc(CN)c1)c1cccs1 Homo sapiens CHEMBL752276 single protein format
CHEMBL475797 OBDepict OH NH H HN H N NH 2 Ki = 9.4 nM 250.35 Nc1cccc(C[C@H]2CNC[C@H]2NCCCO)n1 Homo sapiens CHEMBL1011817 single protein format
CHEMBL302657 OBDepict CH 3 N CH 3 H 2 N IC50 = 10.0 nM 150.22 CCCc1cc(C)cc(N)n1 Homo sapiens CHEMBL751656 single protein format
CHEMBL555794 OBDepict CH 3 S N H NH H 2 N BrH BrH Ki = 11.0 nM 371.14 Br.Br.CSCC(=N)Nc1cccc(CN)c1 Homo sapiens CHEMBL752276 single protein format
CHEMBL476988 OBDepict H 3 C S NH HN NH 2 Ki = 11.0 nM 209.32 CSCC(=N)Nc1cccc(CN)c1 Homo sapiens CHEMBL1002712 single protein format
CHEMBL455310 OBDepict F NH HN NH 2 Ki = 11.0 nM 181.21 N=C(CF)Nc1cccc(CN)c1 Homo sapiens CHEMBL1002712 single protein format
CHEMBL555584 OBDepict F NH HN NH 2 BrH BrH Ki = 11.0 nM 343.04 Br.Br.N=C(CF)Nc1cccc(CN)c1 Homo sapiens CHEMBL752276 single protein format
CHEMBL1944717 OBDepict Cl N N N O N H F F IC50 = 12.0 nM 398.8 O=c1cc(CN(c2cccc(Cl)c2)c2cnccn2)c2ccc(F)c(F)c2[nH]1 Homo sapiens CHEMBL1948399 cell-based format
CHEMBL3818373 OBDepict CH 3 NH N N H 3 C NH 2 Ki = 13.0 nM 284.41 CNCCCc1cncc(CCc2cc(C)cc(N)n2)c1 Homo sapiens CHEMBL3820412 assay format
CHEMBL3675250 OBDepict CH 3 N CH 3 N S N H 2 N S IC50 = 14.0 nM 360.55 CN(C)CCCN1CCSc2cc(/N=C(N)c3cccs3)ccc21 Homo sapiens CHEMBL3705909 single protein format
CHEMBL227744 OBDepict NH NH N H + N O _ O H 2 N H O HO Ki = 15.0 nM 219.2 N=C(NCCC[C@H](N)C(=O)O)N[N+](=O)[O-] Homo sapiens CHEMBL752276 single protein format
CHEMBL444422 OBDepict NH 2 S NH S HN NH 2 Ki = 16.0 nM 282.44 N=C(N)SCCc1ccc(CCSC(=N)N)cc1 Homo sapiens CHEMBL1002712 single protein format
CHEMBL1233715 OBDepict F N H NH H HN H N CH 3 NH 2 Ki = 17.7 nM 371.5 Cc1cc(N)nc(C[C@H]2CNC[C@@H]2NCCNCCc2cccc(F)c2)c1 Homo sapiens CHEMBL3706376 assay format
CHEMBL4068062 OBDepict N H 3 C N H N H 2 N Ki = 20.0 nM 316.41 Cc1cc(CCNCc2ccc3ccc(N)nc3c2)ccc1C#N Homo sapiens CHEMBL4041164 assay format
CHEMBL3216307 OBDepict H 3 C N H N N H NH S ClH ClH IC50 = 20.0 nM 425.43 CN1CCC[C@H]1CCn1ccc2cc(NC(=N)c3cccs3)ccc21.Cl.Cl Homo sapiens CHEMBL1825585 cell-based format
CHEMBL4532683 OBDepict CH 3 N NH 2 F F H N H 3 C Ki = 21.0 nM 359.46 Cc1cc(N)nc(CCc2cc(CC[C@H]3CCCN3C)cc(F)c2F)c1 Homo sapiens CHEMBL4401998 assay format
CHEMBL4089246 OBDepict N Cl N H N H 2 N Ki = 21.0 nM 336.83 N#Cc1ccc(CCNCc2ccc3ccc(N)nc3c2)cc1Cl Homo sapiens CHEMBL4041164 assay format
CHEMBL4590333 OBDepict H 3 C N NH 2 F F H N CH 3 Ki = 23.0 nM 345.44 Cc1cc(N)nc(CCc2cc(CC[C@H]3CCN3C)cc(F)c2F)c1 Homo sapiens CHEMBL4401998 assay format
CHEMBL1187747 OBDepict CH 3 N H 2 N H HN H NH N H Ki = 24.0 nM 353.51 Cc1cc(N)nc(C[C@H]2CNC[C@H]2NCCNCCc2ccccc2)c1 Homo sapiens CHEMBL3706376 assay format
CHEMBL3639741 OBDepict CH 3 NH N S N H 2 N S IC50 = 28.0 nM 346.53 CNCCCN1CCSc2cc(/N=C(N)c3cccs3)ccc21 Homo sapiens CHEMBL3705909 single protein format
CHEMBL321691 OBDepict CH 3 S HN NH 2 Ki = 29.0 nM 104.18 CCSC(=N)N Homo sapiens CHEMBL1002712 single protein format
CHEMBL4440481 OBDepict H 3 C N CH 3 F F N CH 3 NH 2 Ki = 29.0 nM 333.43 Cc1cc(N)nc(CCc2cc(CCCN(C)C)cc(F)c2F)c1 Homo sapiens CHEMBL4401998 assay format
CHEMBL4092027 OBDepict N H 3 C N H N CH 3 H 2 N Ki = 30.0 nM 330.44 Cc1cc(CCNCc2ccc3c(C)cc(N)nc3c2)ccc1C#N Homo sapiens CHEMBL4041164 assay format
CHEMBL4094689 OBDepict H 3 C N CH 3 F N CH 3 H 2 N Ki = 30.0 nM 315.44 Cc1cc(N)nc(CCc2cc(F)cc(CCCN(C)C)c2)c1 Homo sapiens CHEMBL4032161 assay format
CHEMBL397446 OBDepict CH 3 N N H N S N H NH S IC50 = 30.0 nM 385.56 CN1CCCC1CCNc1nc2cc(NC(=N)c3cccs3)ccc2s1 Homo sapiens CHEMBL892679 single protein format
CHEMBL4465991 OBDepict NH 2 O N N S CH 3 NH 2 Ki = 31.0 nM 376.49 Cc1cc(N)nc2cc(-c3ccc(OCc4cscn4)c(CN)c3)ccc12 Homo sapiens CHEMBL4346016 assay format
CHEMBL4079543 OBDepict CH 3 NH O N N H 3 C NH 2 Ki = 31.0 nM 332.41 CNCc1cc(C#N)cc(OCc2ccc3c(C)cc(N)nc3c2)c1 Homo sapiens CHEMBL4052046 assay format
CHEMBL191242 OBDepict H 2 N N H CH 3 H H IC50 = 31.0 nM 152.24 C[C@@H]1CC(N)=N[C@@H]2CCC[C@H]12 Homo sapiens CHEMBL833057 single protein format
CHEMBL4062164 OBDepict N N H N NH 2 Ki = 32.0 nM 302.38 N#Cc1ccc(CCNCc2ccc3ccc(N)nc3c2)cc1 Homo sapiens CHEMBL4041164 assay format
CHEMBL4086610 OBDepict CH 3 NH O N H 3 C NH 2 Ki = 33.0 nM 307.4 CNCc1cccc(OCc2ccc3c(C)cc(N)nc3c2)c1 Homo sapiens CHEMBL4052046 assay format
CHEMBL3675244 OBDepict HO NH N S N NH 2 S IC50 = 34.0 nM 362.52 N/C(=Nc1ccc2c(c1)SCCN2CCNCCO)c1cccs1 Homo sapiens CHEMBL3705909 single protein format
CHEMBL2333953 OBDepict Cl N H NH NH S IC50 = 35.0 nM 383.95 N=C(Nc1ccc(CCNCCc2cccc(Cl)c2)cc1)c1cccs1 Homo sapiens CHEMBL2343335 single protein format
CHEMBL293212 OBDepict Cl HN N H NH S IC50 = 35.0 nM 369.92 N=C(Nc1ccc(CCNCc2cccc(Cl)c2)cc1)c1cccs1 Homo sapiens CHEMBL841529 single protein format
CHEMBL433589 OBDepict H 2 N N H CH 3 H H IC50 = 36.0 nM 152.24 C[C@H]1CC(N)=N[C@H]2CCC[C@@H]12 Homo sapiens CHEMBL833057 single protein format
CHEMBL4096049 OBDepict CH 3 NH O N N NH 2 ClH ClH Ki = 36.0 nM 391.3 CNCc1cc(C#N)cc(OCc2ccc3ccc(N)nc3c2)c1.Cl.Cl Homo sapiens CHEMBL4052046 assay format
CHEMBL4578540 OBDepict H 3 C N CH 3 F F N CH 3 NH 2 Ki = 36.0 nM 333.43 Cc1cc(N)nc(CCc2c(F)ccc(CCCN(C)C)c2F)c1 Homo sapiens CHEMBL4401998 assay format
CHEMBL4450896 OBDepict CH 3 N NH 2 F F H N H 3 C Ki = 37.0 nM 359.46 Cc1cc(N)nc(CCc2cc(CC[C@@H]3CCCN3C)cc(F)c2F)c1 Homo sapiens CHEMBL4401998 assay format
CHEMBL483091 OBDepict CH 3 S CH 3 HN NH 2 Ki = 37.0 nM 118.2 CC(C)SC(=N)N Homo sapiens CHEMBL1002712 single protein format
CHEMBL3818566 OBDepict H 3 C N CH 3 N N CH 3 H 2 N Ki = 37.0 nM 298.43 Cc1cc(N)nc(CCc2cncc(CCCN(C)C)c2)c1 Homo sapiens CHEMBL3820412 assay format
CHEMBL3216124 OBDepict CH 3 N H 3 C N N H NH S ClH ClH IC50 = 40.0 nM 387.38 CN(C)CCN1CCc2cc(NC(=N)c3cccs3)ccc21.Cl.Cl Homo sapiens CHEMBL2209794 cell-based format
CHEMBL419740 OBDepict H 2 N HN NH H 3 C IC50 = 40.0 nM 163.22 CC(=N)Nc1cccc(CN)c1 Homo sapiens CHEMBL2343335 single protein format
CHEMBL419740 OBDepict H 2 N HN NH H 3 C Ki = 40.0 nM 163.22 CC(=N)Nc1cccc(CN)c1 Homo sapiens CHEMBL1002712 single protein format
CHEMBL542432 OBDepict NH 2 N H HN CH 3 ClH ClH Ki = 40.0 nM 236.15 CC(=N)Nc1ccc(CN)cc1.Cl.Cl Homo sapiens CHEMBL752276 single protein format
CHEMBL545441 OBDepict Cl N H N H NH 2 H ClH ClH IC50 = 42.0 nM 440.85 Cl.Cl.NC1=Nc2cc(CCCNCc3cccc(Cl)c3)ccc2[C@H]2CCC[C@@H]12 Homo sapiens CHEMBL841529 single protein format
CHEMBL162416 OBDepict Cl N H N H NH 2 H IC50 = 42.0 nM 367.92 NC1=Nc2cc(CCCNCc3cccc(Cl)c3)ccc2[C@H]2CCC[C@@H]12 Homo sapiens CHEMBL750244 single protein format
CHEMBL540048 OBDepict CH 3 N H NH HN NH H 3 C BrH BrH BrH Ki = 42.0 nM 537.14 Br.Br.Br.CC(=N)Nc1ccc(CNCc2cccc(C(C)=N)c2)cc1 Homo sapiens CHEMBL752276 single protein format
CHEMBL482699 OBDepict CH 3 NH HN N H HN CH 3 Ki = 42.0 nM 294.4 CC(=N)Nc1cccc(CNCc2cccc(C(C)=N)c2)c1 Homo sapiens CHEMBL1002712 single protein format
CHEMBL4074188 OBDepict H 3 C N CH 3 N CH 3 H 2 N Ki = 43.0 nM 297.45 Cc1cc(N)nc(CCc2cccc(CCCN(C)C)c2)c1 Homo sapiens CHEMBL4032161 assay format
CHEMBL4454695 OBDepict CH 3 NH F F N H 3 C NH 2 Ki = 43.0 nM 315.37 CNCC#Cc1cc(F)c(F)c(CCc2cc(C)cc(N)n2)c1 Homo sapiens CHEMBL4401998 assay format
CHEMBL4576585 OBDepict NH 2 O N N CH 3 NH 2 Ki = 45.0 nM 370.46 Cc1cc(N)nc2cc(-c3ccc(OCc4cccnc4)c(CN)c3)ccc12 Homo sapiens CHEMBL4346016 assay format
CHEMBL1944884 OBDepict CH 3 N N N O N H F F IC50 = 46.0 nM 392.41 Cc1ccccc1CN(Cc1cc(=O)[nH]c2c(F)c(F)ccc12)c1cnccn1 Homo sapiens CHEMBL1948399 cell-based format
CHEMBL4534970 OBDepict NH 2 O S N N CH 3 NH 2 Ki = 46.0 nM 376.49 Cc1cc(N)nc2cc(-c3ccc(OCc4cncs4)c(CN)c3)ccc12 Homo sapiens CHEMBL4346016 assay format
CHEMBL4548400 OBDepict H 3 C N CH 3 F F F N CH 3 NH 2 Ki = 46.0 nM 351.42 Cc1cc(N)nc(CCc2cc(CCCN(C)C)c(F)c(F)c2F)c1 Homo sapiens CHEMBL4401998 assay format
CHEMBL4105240 OBDepict N O NH H 3 C H CH 3 N CH 3 NH 2 Ki = 46.0 nM 360.46 CN[C@@H](C)Cc1cc(C#N)cc(OCc2ccc3c(C)cc(N)nc3c2)c1 Homo sapiens CHEMBL4052046 assay format
CHEMBL4449970 OBDepict NH 2 O N CH 3 NH 2 Ki = 46.0 nM 333.44 Cc1cc(N)nc2cc(-c3ccc(OCC4CC4)c(CN)c3)ccc12 Homo sapiens CHEMBL4346016 assay format
CHEMBL542132 OBDepict Cl HN N H NH 2 H ClH ClH IC50 = 48.0 nM 426.82 Cl.Cl.NC1=Nc2cc(CCNCc3cccc(Cl)c3)ccc2[C@H]2CCC[C@@H]12 Homo sapiens CHEMBL841529 single protein format
CHEMBL1221703 OBDepict CH 3 H N O H 2 N S IC50 = 50.0 nM 210.3 CCC[C@@H]1COc2ccsc2C(N)=N1 Homo sapiens CHEMBL1227494 single protein format
CHEMBL3675251 OBDepict CH 3 NH N S N H 2 N S IC50 = 50.0 nM 346.53 CCNCCN1CCSc2ccc(/N=C(N)c3cccs3)cc21 Homo sapiens CHEMBL3705909 single protein format
CHEMBL607146 OBDepict F N H O H HN H N CH 3 NH 2 Ki = 50.0 nM 372.49 Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2OCCNCCc2cccc(F)c2)c1 Homo sapiens CHEMBL1274961 assay format
CHEMBL4090184 OBDepict N HN N H 2 N Ki = 50.0 nM 302.38 N#Cc1cccc(CCNCc2ccc3ccc(N)nc3c2)c1 Homo sapiens CHEMBL4041164 assay format
CHEMBL43678 OBDepict CH 3 N CH 3 O N NH 2 IC50 = 50.6 nM 297.4 CN(C)CCOc1ccc(-c2cccc(N)n2)c2c1CCC2 Homo sapiens CHEMBL750652 single protein format
CHEMBL4074659 OBDepict CH 3 NH N H 3 C NH 2 ClH ClH Ki = 51.0 nM 378.35 CNCc1cccc(CCc2ccc3c(C)cc(N)nc3c2)c1.Cl.Cl Homo sapiens CHEMBL4052046 assay format
CHEMBL4064297 OBDepict N N H N CH 3 NH 2 Ki = 52.0 nM 316.41 Cc1cc(N)nc2cc(CNCCc3ccc(C#N)cc3)ccc12 Homo sapiens CHEMBL4041164 assay format
CHEMBL480419 OBDepict F N H NH H HN H N CH 3 NH 2 Ki = 52.0 nM 371.5 Cc1cc(N)nc(C[C@H]2CNC[C@H]2NCCNCCc2cccc(F)c2)c1 Homo sapiens CHEMBL1767570 single protein format
CHEMBL4066044 OBDepict CH 3 NH Cl O N H 3 C NH 2 Ki = 52.0 nM 341.84 CNCc1cc(OCc2ccc3c(C)cc(N)nc3c2)ccc1Cl Homo sapiens CHEMBL4052046 assay format
CHEMBL4467114 OBDepict H 3 C N H F N CH 3 H 2 N Ki = 52.0 nM 341.47 Cc1cc(N)nc(CCc2cc(F)cc(CC[C@@H]3CCCN3C)c2)c1 Homo sapiens CHEMBL4401998 assay format
CHEMBL191675 OBDepict NH 2 N H H CH 3 H IC50 = 53.0 nM 166.27 C[C@@H]1CC(N)=N[C@@H]2CCCC[C@H]12 Homo sapiens CHEMBL833057 single protein format
CHEMBL364188 OBDepict H 3 C O N N CH 3 H 3 C H 3 C H 2 N IC50 = 54.0 nM 285.39 CCc1cc(-c2cccc(N)n2)c(OC)cc1CN(C)C Homo sapiens CHEMBL833562 single protein format
CHEMBL4078757 OBDepict CH 3 NH F O N N H 3 C NH 2 ClH ClH Ki = 54.0 nM 423.32 CNCc1cc(OCc2ccc3c(C)cc(N)nc3c2)cc(C#N)c1F.Cl.Cl Homo sapiens CHEMBL4052046 assay format
CHEMBL4103382 OBDepict CH 3 NH N H 3 C NH 2 Ki = 55.0 nM 283.42 CNCCCc1cccc(CCc2cc(C)cc(N)n2)c1 Homo sapiens CHEMBL4032161 assay format
CHEMBL3586664 OBDepict H 3 C NH N H 3 C N N H 3 C NH 2 Ki = 55.0 nM 323.44 CNCCN(C)c1cc(C#N)cc(CCc2cc(C)cc(N)n2)c1 Homo sapiens CHEMBL3587004 assay format
CHEMBL496134 OBDepict CH 3 NH N H HN CH 3 Ki = 56.0 nM 177.25 CNCc1cccc(NC(C)=N)c1 Homo sapiens CHEMBL1002712 single protein format
CHEMBL3586658 OBDepict NH 2 N CH 3 N CH 3 H 2 N Ki = 56.0 nM 284.41 Cc1cc(N)nc(CCc2cccc(N(C)CCN)c2)c1 Homo sapiens CHEMBL3587004 assay format
CHEMBL4061701 OBDepict CH 3 NH N N H 3 C NH 2 ClH ClH Ki = 56.0 nM 403.36 CNCc1cc(C#N)cc(CCc2ccc3c(C)cc(N)nc3c2)c1.Cl.Cl Homo sapiens CHEMBL4052046 assay format
CHEMBL539793 OBDepict CH 3 NH N H NH H 3 C BrH BrH Ki = 56.0 nM 339.07 Br.Br.CNCc1ccc(NC(C)=N)cc1 Homo sapiens CHEMBL752276 single protein format
CHEMBL183892 OBDepict H 3 C O O N H 3 C N NH 2 CH 3 H 3 C IC50 = 58.0 nM 315.42 CCc1cc(-c2cccc(N)n2)c(OC)cc1OCCN(C)C Homo sapiens CHEMBL833562 single protein format
CHEMBL4588416 OBDepict CH 3 O H 2 N N CH 3 H 2 N Ki = 58.0 nM 321.42 CCCOc1ccc(-c2ccc3c(C)cc(N)nc3c2)cc1CN Homo sapiens CHEMBL4346016 assay format
CHEMBL4455796 OBDepict H 3 C N CH 3 F F F N CH 3 NH 2 Ki = 58.0 nM 351.42 Cc1cc(N)nc(CCc2c(F)c(F)cc(CCCN(C)C)c2F)c1 Homo sapiens CHEMBL4401998 assay format
CHEMBL4588581 OBDepict CH 3 NH F N H 3 C NH 2 Ki = 58.0 nM 297.38 CNCC#Cc1cc(F)cc(CCc2cc(C)cc(N)n2)c1 Homo sapiens CHEMBL4401998 assay format
CHEMBL3586661 OBDepict CH 3 N H N CH 3 N N CH 3 H 2 N Ki = 59.0 nM 299.42 CNCCN(C)c1cncc(CCc2cc(C)cc(N)n2)c1 Homo sapiens CHEMBL3587004 assay format
CHEMBL4562481 OBDepict F N H N H CH 3 NH 2 Ki = 59.0 nM 327.45 Cc1cc(N)nc(CCc2cc(F)cc(CC[C@H]3CCCN3)c2)c1 Homo sapiens CHEMBL4401998 assay format
CHEMBL269076 OBDepict CH 3 CH 3 N H 2 N IC50 = 60.0 nM 126.2 CC1CC(N)=NC(C)C1 Homo sapiens CHEMBL751657 single protein format
CHEMBL106516 OBDepict CH 3 S N H NH NH 2 H O OH IC50 = 60.0 nM 205.28 CSC(=N)NCCC[C@H](N)C(=O)O Homo sapiens CHEMBL829483 cell-based format
CHEMBL354788 OBDepict F N H F N NH 2 O IC50 = 60.0 nM 249.22 NC1=NC(c2ccco2)Nc2c(F)ccc(F)c21 Homo sapiens CHEMBL751653 single protein format
CHEMBL3217186 OBDepict H 3 C N H N N H NH S ClH ClH IC50 = 60.0 nM 425.43 CN1CCC[C@@H]1CCn1ccc2cc(NC(=N)c3cccs3)ccc21.Cl.Cl Homo sapiens CHEMBL1825585 cell-based format
CHEMBL1944721 OBDepict Cl N N N O N H F F IC50 = 60.0 nM 412.83 O=c1cc(CN(Cc2ccccc2Cl)c2cnccn2)c2ccc(F)c(F)c2[nH]1 Homo sapiens CHEMBL1948399 cell-based format
CHEMBL3675236 OBDepict CH 3 HN N S N H 2 N S IC50 = 60.0 nM 332.5 CNCCN1CCSc2cc(/N=C(N)c3cccs3)ccc21 Homo sapiens CHEMBL3705909 single protein format
CHEMBL4483429 OBDepict NH 2 N CH 3 NH 2 ClH ClH Ki = 60.0 nM 336.27 Cc1cc(N)nc2cc(-c3cccc(CN)c3)ccc12.Cl.Cl Homo sapiens CHEMBL4346016 assay format
CHEMBL4099944 OBDepict CH 3 NH O N N CH 3 H 2 N Ki = 61.0 nM 346.43 CNCCc1cc(C#N)cc(OCc2ccc3c(C)cc(N)nc3c2)c1 Homo sapiens CHEMBL4052046 assay format
CHEMBL1945066 OBDepict Cl N N N N N CH 3 O N H F F IC50 = 62.0 nM 452.85 Cn1ncc2c(N(Cc3cc(=O)[nH]c4c(F)c(F)ccc34)c3cccc(Cl)c3)ncnc21 Homo sapiens CHEMBL1948399 cell-based format
CHEMBL4555914 OBDepict NH 2 O N N O CH 3 NH 2 Ki = 63.0 nM 360.42 Cc1cc(N)nc2cc(-c3ccc(OCc4cocn4)c(CN)c3)ccc12 Homo sapiens CHEMBL4346016 assay format