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O43174 | CP26A_HUMAN | Cytochrome P450 26A1 (CYP26A1)

3D structures mapped by conservation among orthologs



[ Alpha Fold Model ] (go)


Known binders annotated in ChEMBL

IC50 table

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL1831083 OBDepict CH 3 O O H 3 C H 3 C N N N H IC50 = 0.35 nM 413.52 CCOC(=O)C(C)(C)C(c1ccc(Nc2ccc3ccccc3c2)cc1)n1ccnc1 Homo sapiens CHEMBL1833279 single protein format
CHEMBL1831092 OBDepict CH 3 O O H 3 C H 3 C N N N N H IC50 = 0.35 nM 400.48 COC(=O)C(C)(C)C(c1ccc(Nc2ccc3ccccc3c2)cc1)n1cncn1 Homo sapiens CHEMBL1833279 single protein format
CHEMBL1766007 OBDepict CH 3 O O H 3 C H 3 C N N N H HO IC50 = 3.0 nM 415.49 COC(=O)C(C)(C)C(c1ccc(Nc2ccc3cc(O)ccc3c2)cc1)n1ccnc1 Homo sapiens CHEMBL1768149 microsome format
CHEMBL1766005 OBDepict CH 3 O O H 3 C H 3 C N N N H IC50 = 3.0 nM 399.49 COC(=O)C(C)(C)C(c1ccc(Nc2ccc3ccccc3c2)cc1)n1ccnc1 Homo sapiens CHEMBL1768149 microsome format
CHEMBL368448 OBDepict CH 3 N CH 3 H 3 C N N O O OH IC50 = 3.3 nM 429.52 CC(C(c1ccc2cc(OCc3ccc(C(=O)O)cc3)ccc2c1)n1ccnc1)N(C)C Homo sapiens CHEMBL832851 single protein format
CHEMBL426789 OBDepict H 3 C N CH 3 CH 3 N N O O OH IC50 = 3.5 nM 429.52 CC(C(c1ccc2cc(OCc3cccc(C(=O)O)c3)ccc2c1)n1ccnc1)N(C)C Homo sapiens CHEMBL832851 single protein format
CHEMBL224305 OBDepict CH 3 N H CH 3 N N N H N S IC50 = 5.0 nM 377.52 CCC(CC)[C@H](c1ccc(Nc2nc3ccccc3s2)cc1)n1cncn1 Homo sapiens CHEMBL996935 cell-based format
CHEMBL459505 OBDepict H 3 C N H 3 C N N N H N S IC50 = 5.1 nM 377.52 CCC(CC)C(c1ccc(Nc2nc3ccccc3s2)cc1)n1cncn1 Homo sapiens CHEMBL3789264 cell-based format
CHEMBL2146987 OBDepict CH 3 O O H 3 C H 3 C N N N H N Br IC50 = 5.7 nM 429.32 COC(=O)C(C)(C)C(c1ccc(Nc2ccc(Br)nc2)cc1)n1ccnc1 Homo sapiens CHEMBL2148657 microsome format
CHEMBL359627 OBDepict N O N N CH 3 H 3 C CH 3 N IC50 = 6.0 nM 410.52 CC(C(c1ccc2cc(OCc3ccc(C#N)cc3)ccc2c1)n1ccnc1)N(C)C Homo sapiens CHEMBL832851 single protein format
CHEMBL1766003 OBDepict H 3 C O O CH 3 CH 3 N N N H IC50 = 6.0 nM 399.49 COC(=O)C(C)(C)C(c1ccc(Nc2cccc3ccccc23)cc1)n1ccnc1 Homo sapiens CHEMBL1768149 microsome format
CHEMBL2147090 OBDepict CH 3 O O CH 3 CH 3 N N N N H O O IC50 = 6.7 nM 394.43 COC(=O)C(C)(C)C(c1ccc(Nc2ccc3c(c2)OCO3)cc1)n1cncn1 Homo sapiens CHEMBL2148657 microsome format
CHEMBL181309 OBDepict H 3 C O O O N N CH 3 H 3 C CH 3 N IC50 = 7.0 nM 443.55 COC(=O)c1cccc(COc2ccc3cc(C(C(C)N(C)C)n4ccnc4)ccc3c2)c1 Homo sapiens CHEMBL832851 single protein format
CHEMBL1766001 OBDepict CH 3 O O CH 3 CH 3 N N N H O O IC50 = 8.0 nM 393.44 COC(=O)C(C)(C)C(c1ccc(Nc2ccc3c(c2)OCO3)cc1)n1ccnc1 Homo sapiens CHEMBL1768149 microsome format
CHEMBL1766006 OBDepict CH 3 O N H N CH 3 CH 3 O O H 3 C N IC50 = 8.0 nM 429.52 COC(=O)C(C)(C)C(c1ccc(Nc2ccc3cc(OC)ccc3c2)cc1)n1ccnc1 Homo sapiens CHEMBL1768149 microsome format
CHEMBL179550 OBDepict OH O O O N N CH 3 H 3 C CH 3 N IC50 = 8.0 nM 459.55 CC(C(c1ccc2cc(OCc3ccc(OCC(=O)O)cc3)ccc2c1)n1ccnc1)N(C)C Homo sapiens CHEMBL832851 single protein format
CHEMBL2146981 OBDepict CH 3 O O H 3 C H 3 C N N N H F F F IC50 = 9.4 nM 417.43 COC(=O)C(C)(C)C(c1ccc(Nc2ccc(C(F)(F)F)cc2)cc1)n1ccnc1 Homo sapiens CHEMBL2148657 microsome format
CHEMBL3617993 OBDepict CH 3 N N H 3 C H 3 C N N N H N S IC50 = 10.0 nM 378.51 CC(C(c1ccc(Nc2nc3ccccc3s2)cc1)n1cncn1)N(C)C Homo sapiens CHEMBL3620652 single protein format
CHEMBL1766008 OBDepict CH 3 O O H 3 C H 3 C N N N H N O IC50 = 10.0 nM 390.44 COC(=O)C(C)(C)C(c1ccc(Nc2nc3ccccc3o2)cc1)n1ccnc1 Homo sapiens CHEMBL1768149 microsome format
CHEMBL1766000 OBDepict CH 3 O O H 3 C H 3 C N N N H IC50 = 10.0 nM 349.43 COC(=O)C(C)(C)C(c1ccc(Nc2ccccc2)cc1)n1ccnc1 Homo sapiens CHEMBL1768149 microsome format
CHEMBL517438 OBDepict CH 3 N CH 3 H 3 C H N H N N H N S IC50 = 10.0 nM 377.52 C[C@H]([C@@H](c1ccc(Nc2nc3ccccc3s2)cc1)n1ccnc1)N(C)C Homo sapiens CHEMBL1768149 microsome format
CHEMBL1831088 OBDepict CH 3 N H O H 3 C H 3 C N N N H IC50 = 12.0 nM 398.51 CNC(=O)C(C)(C)C(c1ccc(Nc2ccc3ccccc3c2)cc1)n1ccnc1 Homo sapiens CHEMBL1833279 single protein format
CHEMBL2205775 OBDepict H 3 C O O CH 3 CH 3 N N N N H IC50 = 13.0 nM 350.42 COC(=O)C(C)(C)C(c1ccc(Nc2ccccc2)cc1)n1cncn1 Homo sapiens CHEMBL2214483 microsome format
CHEMBL2146986 OBDepict H 3 C O O CH 3 CH 3 N N N H CH 3 CH 3 O CH 3 IC50 = 14.0 nM 407.51 COC(=O)C(C)(C)C(c1ccc(Nc2cc(C)c(OC)c(C)c2)cc1)n1ccnc1 Homo sapiens CHEMBL2148657 microsome format
CHEMBL360072 OBDepict CH 3 N CH 3 H 3 C N N O N O CH 3 H 3 C IC50 = 14.4 nM 456.59 CC(C(c1ccc2cc(OCc3cccc(C(=O)N(C)C)c3)ccc2c1)n1ccnc1)N(C)C Homo sapiens CHEMBL832851 single protein format
CHEMBL178474 OBDepict CH 3 O O O N N CH 3 H 3 C CH 3 N IC50 = 16.0 nM 443.55 COC(=O)c1ccc(COc2ccc3cc(C(C(C)N(C)C)n4ccnc4)ccc3c2)cc1 Homo sapiens CHEMBL832851 single protein format
CHEMBL2146980 OBDepict CH 3 O O H 3 C H 3 C N N N H H 3 C IC50 = 16.0 nM 363.46 COC(=O)C(C)(C)C(c1ccc(Nc2ccc(C)cc2)cc1)n1ccnc1 Homo sapiens CHEMBL2148657 microsome format
CHEMBL362412 OBDepict CH 3 O O O O N N H 3 C CH 3 H 3 C N IC50 = 19.0 nM 473.57 COC(=O)COc1ccc(COc2ccc3cc(C(C(C)N(C)C)n4ccnc4)ccc3c2)cc1 Homo sapiens CHEMBL832851 single protein format
CHEMBL360771 OBDepict CH 3 N CH 3 H 3 C N N O H 3 C CH 3 O HO IC50 = 20.0 nM 395.5 CC(C(c1ccc2cc(OCC(C)(C)C(=O)O)ccc2c1)n1ccnc1)N(C)C Homo sapiens CHEMBL832851 single protein format
CHEMBL180805 OBDepict H 3 C N N CH 3 CH 3 N O CH 3 H 3 C CH 3 IC50 = 21.4 nM 365.52 CC(C(c1ccc2cc(OCC(C)(C)C)ccc2c1)n1ccnc1)N(C)C Homo sapiens CHEMBL832851 single protein format
CHEMBL180348 OBDepict OH O O N N CH 3 H 3 C CH 3 N IC50 = 25.0 nM 443.55 CC(C(c1ccc2cc(OCc3ccc(CC(=O)O)cc3)ccc2c1)n1ccnc1)N(C)C Homo sapiens CHEMBL832851 single protein format
CHEMBL1766011 OBDepict CH 3 O O H 3 C H N H N N H IC50 = 26.0 nM 335.41 COC(=O)[C@H](C)[C@H](c1ccc(Nc2ccccc2)cc1)n1ccnc1 Homo sapiens CHEMBL1768149 microsome format
CHEMBL181385 OBDepict H 3 C N CH 3 CH 3 N N O O CH 3 CH 3 CH 3 IC50 = 34.0 nM 457.62 CC(C(c1ccc2cc(OCc3ccc(OC(C)(C)C)cc3)ccc2c1)n1ccnc1)N(C)C Homo sapiens CHEMBL832851 single protein format
CHEMBL367357 OBDepict CH 3 N CH 3 H 3 C N N O H 3 C CH 3 N O CH 3 H 3 C IC50 = 35.0 nM 422.57 CC(C(c1ccc2cc(OCC(C)(C)C(=O)N(C)C)ccc2c1)n1ccnc1)N(C)C Homo sapiens CHEMBL832851 single protein format
CHEMBL182438 OBDepict H 3 C NH O O N N CH 3 H 3 C CH 3 N IC50 = 37.0 nM 442.56 CNC(=O)c1cccc(COc2ccc3cc(C(C(C)N(C)C)n4ccnc4)ccc3c2)c1 Homo sapiens CHEMBL832851 single protein format
CHEMBL1766010 OBDepict CH 3 O O H 3 C H N H N N H IC50 = 40.0 nM 335.41 COC(=O)[C@@H](C)[C@H](c1ccc(Nc2ccccc2)cc1)n1ccnc1 Homo sapiens CHEMBL1768149 microsome format
CHEMBL1831091 OBDepict CH 3 O N H N CH 3 CH 3 OH N IC50 = 40.0 nM 401.51 COc1ccc2cc(Nc3ccc(C(n4ccnc4)C(C)(C)CO)cc3)ccc2c1 Homo sapiens CHEMBL1833279 single protein format
CHEMBL2146985 OBDepict H 3 C O O CH 3 CH 3 N N N H O O CH 3 O CH 3 CH 3 IC50 = 45.0 nM 439.51 COC(=O)C(C)(C)C(c1ccc(Nc2cc(OC)c(OC)c(OC)c2)cc1)n1ccnc1 Homo sapiens CHEMBL2148657 microsome format
CHEMBL362489 OBDepict CH 3 N CH 3 H 3 C N N O H 3 C CH 3 O H 2 N IC50 = 47.0 nM 394.52 CC(C(c1ccc2cc(OCC(C)(C)C(N)=O)ccc2c1)n1ccnc1)N(C)C Homo sapiens CHEMBL832851 single protein format
CHEMBL360148 OBDepict H 3 C N CH 3 CH 3 N N O O NH 2 IC50 = 48.0 nM 428.54 CC(C(c1ccc2cc(OCc3cccc(C(N)=O)c3)ccc2c1)n1ccnc1)N(C)C Homo sapiens CHEMBL832851 single protein format
CHEMBL180856 OBDepict CH 3 N CH 3 H 3 C N N O IC50 = 50.0 nM 385.51 CC(C(c1ccc2cc(OCc3ccccc3)ccc2c1)n1ccnc1)N(C)C Homo sapiens CHEMBL832851 single protein format
CHEMBL1828655 OBDepict NH 2 O H 3 C H 3 C N N N H IC50 = 50.0 nM 384.48 CC(C)(C(N)=O)C(c1ccc(Nc2ccc3ccccc3c2)cc1)n1ccnc1 Homo sapiens CHEMBL1833279 single protein format
CHEMBL1766013 OBDepict CH 3 O O H 3 C H N H N N H IC50 = 50.0 nM 385.47 COC(=O)[C@H](C)[C@H](c1ccc(Nc2ccc3ccccc3c2)cc1)n1ccnc1 Homo sapiens CHEMBL1768149 microsome format
CHEMBL180829 OBDepict CH 3 HN O H 3 C H 3 C O N N H 3 C CH 3 CH 3 N IC50 = 54.0 nM 408.55 CNC(=O)C(C)(C)COc1ccc2cc(C(C(C)N(C)C)n3ccnc3)ccc2c1 Homo sapiens CHEMBL832851 single protein format
CHEMBL3786184 OBDepict HO O S S CH 3 H 3 C H 3 C CH 3 IC50 = 60.0 nM 462.68 CC1(C)CCC(C)(C)c2cc(C3(c4ccc5cc(C(=O)O)ccc5c4)SCCS3)ccc21 Homo sapiens CHEMBL3789264 cell-based format
CHEMBL1831090 OBDepict H 3 C N CH 3 O H 3 C H 3 C N N N H IC50 = 75.0 nM 412.54 CN(C)C(=O)C(C)(C)C(c1ccc(Nc2ccc3ccccc3c2)cc1)n1ccnc1 Homo sapiens CHEMBL1833279 single protein format
CHEMBL180592 OBDepict CH 3 N CH 3 H 3 C N N O + N O _ O IC50 = 77.0 nM 430.51 CC(C(c1ccc2cc(OCc3ccc([N+](=O)[O-])cc3)ccc2c1)n1ccnc1)N(C)C Homo sapiens CHEMBL832851 single protein format
CHEMBL2205778 OBDepict OH O N H N CH 3 CH 3 O OH N N IC50 = 85.0 nM 380.4 CC(C)(C(=O)O)C(c1ccc(Nc2ccc(C(=O)O)cc2)cc1)n1cncn1 Homo sapiens CHEMBL2214483 microsome format
CHEMBL2147091 OBDepict H 3 C O O CH 3 CH 3 N CH 3 N N H IC50 = 90.0 nM 363.46 COC(=O)C(C)(C)C(c1ccc(Nc2ccccc2)cc1)n1ccnc1C Homo sapiens CHEMBL2148657 microsome format
CHEMBL2205776 OBDepict CH 3 O O H 3 C H 3 C N N N N H O H 3 C IC50 = 95.0 nM 392.46 COC(=O)C(C)(C)C(c1ccc(Nc2ccc(C(C)=O)cc2)cc1)n1cncn1 Homo sapiens CHEMBL2214483 microsome format
CHEMBL179825 OBDepict CH 3 O O O N N H 3 C CH 3 H 3 C N IC50 = 100.0 nM 457.57 COC(=O)Cc1ccc(COc2ccc3cc(C(C(C)N(C)C)n4ccnc4)ccc3c2)cc1 Homo sapiens CHEMBL832851 single protein format
CHEMBL1766009 OBDepict CH 3 O O H 3 C H 3 C N N N H N S IC50 = 100.0 nM 406.51 COC(=O)C(C)(C)C(c1ccc(Nc2nc3ccccc3s2)cc1)n1ccnc1 Homo sapiens CHEMBL1768149 microsome format
CHEMBL2146984 OBDepict CH 3 O O H 3 C H 3 C N N N H + N O _ O IC50 = 100.0 nM 394.43 COC(=O)C(C)(C)C(c1ccc(Nc2ccc([N+](=O)[O-])cc2)cc1)n1ccnc1 Homo sapiens CHEMBL2148657 microsome format
CHEMBL3786620 OBDepict HO O O O CH 3 H 3 C H 3 C CH 3 IC50 = 110.0 nM 430.54 CC1(C)CCC(C)(C)c2cc(C3(c4ccc5cc(C(=O)O)ccc5c4)OCCO3)ccc21 Homo sapiens CHEMBL3789264 cell-based format
CHEMBL1831089 OBDepict CH 3 N H CH 3 O H 3 C H 3 C N N N H IC50 = 120.0 nM 426.56 CC(C)NC(=O)C(C)(C)C(c1ccc(Nc2ccc3ccccc3c2)cc1)n1ccnc1 Homo sapiens CHEMBL1833279 single protein format
CHEMBL1766004 OBDepict CH 3 O N H N H 3 C H 3 C O O CH 3 N IC50 = 125.0 nM 443.55 CCOc1ccc2ccccc2c1Nc1ccc(C(n2ccnc2)C(C)(C)C(=O)OC)cc1 Homo sapiens CHEMBL1768149 microsome format
CHEMBL1831085 OBDepict CH 3 O O H 3 C H 3 C N N N H IC50 = 140.0 nM 455.6 CCCCCOC(=O)C(C)(C)C(c1ccc(Nc2ccc3ccccc3c2)cc1)n1ccnc1 Homo sapiens CHEMBL1833279 single protein format
CHEMBL1766012 OBDepict CH 3 O O H 3 C H N H N N H IC50 = 140.0 nM 385.47 COC(=O)[C@@H](C)[C@H](c1ccc(Nc2ccc3ccccc3c2)cc1)n1ccnc1 Homo sapiens CHEMBL1768149 microsome format
CHEMBL2205779 OBDepict CH 3 N H O H 3 C H 3 C N N N H IC50 = 200.0 nM 348.45 CNC(=O)C(C)(C)C(c1ccc(Nc2ccccc2)cc1)n1ccnc1 Homo sapiens CHEMBL2214483 microsome format
CHEMBL1831084 OBDepict CH 3 O O H 3 C H 3 C N N N H IC50 = 200.0 nM 441.58 CCCCOC(=O)C(C)(C)C(c1ccc(Nc2ccc3ccccc3c2)cc1)n1ccnc1 Homo sapiens CHEMBL1833279 single protein format
CHEMBL3617983 OBDepict H 3 C O O N H N O N CH 3 N Cl N IC50 = 220.0 nM 387.83 COC(=O)C(Cn1ccnc1)NC(=O)c1c(C)nn(-c2ccccc2)c1Cl Homo sapiens CHEMBL3620653 cell-based format
CHEMBL3786581 OBDepict OH O O O CH 3 CH 3 H 3 C H 3 C IC50 = 240.0 nM 406.52 CC1(C)CCC(C)(C)c2cc(C3(c4ccc(/C=C/C(=O)O)cc4)OCCO3)ccc21 Homo sapiens CHEMBL3789264 cell-based format
CHEMBL1766002 OBDepict CH 3 O O H 3 C H 3 C N N N H IC50 = 250.0 nM 425.53 COC(=O)C(C)(C)C(c1ccc(Nc2ccc(-c3ccccc3)cc2)cc1)n1ccnc1 Homo sapiens CHEMBL1768149 microsome format
CHEMBL2146978 OBDepict CH 3 O O H 3 C H 3 C N N N H F IC50 = 250.0 nM 367.42 COC(=O)C(C)(C)C(c1ccc(Nc2ccc(F)cc2)cc1)n1ccnc1 Homo sapiens CHEMBL2148657 microsome format
CHEMBL2205780 OBDepict CH 3 N H O H 3 C H 3 C N N N H IC50 = 250.0 nM 362.48 CCNC(=O)C(C)(C)C(c1ccc(Nc2ccccc2)cc1)n1ccnc1 Homo sapiens CHEMBL2214483 microsome format
CHEMBL3787323 OBDepict OH O S S CH 3 CH 3 H 3 C H 3 C IC50 = 270.0 nM 440.67 CC1(C)CCC(C)(C)c2cc(C3(c4ccc(CCC(=O)O)cc4)SCCS3)ccc21 Homo sapiens CHEMBL3789264 cell-based format
CHEMBL1831086 OBDepict CH 3 O CH 3 O H 3 C H 3 C N N N H IC50 = 290.0 nM 427.55 CC(C)OC(=O)C(C)(C)C(c1ccc(Nc2ccc3ccccc3c2)cc1)n1ccnc1 Homo sapiens CHEMBL1833279 single protein format
CHEMBL1831082 OBDepict OH O H 3 C H 3 C N N N H IC50 = 300.0 nM 385.47 CC(C)(C(=O)O)C(c1ccc(Nc2ccc3ccccc3c2)cc1)n1ccnc1 Homo sapiens CHEMBL1833279 single protein format
CHEMBL178873 OBDepict OH O O N N CH 3 H 3 C CH 3 N IC50 = 335.0 nM 353.42 CC(C(c1ccc2cc(OCC(=O)O)ccc2c1)n1ccnc1)N(C)C Homo sapiens CHEMBL832851 single protein format
CHEMBL3787627 OBDepict OH O O O CH 3 CH 3 H 3 C H 3 C IC50 = 340.0 nM 408.54 CC1(C)CCC(C)(C)c2cc(C3(c4ccc(CCC(=O)O)cc4)OCCO3)ccc21 Homo sapiens CHEMBL3789264 cell-based format
CHEMBL1831094 OBDepict CH 3 N H O H 3 C H 3 C N N N N H IC50 = 350.0 nM 399.5 CNC(=O)C(C)(C)C(c1ccc(Nc2ccc3ccccc3c2)cc1)n1cncn1 Homo sapiens CHEMBL1833279 single protein format
CHEMBL3617978 OBDepict CH 3 O O N H N O N IC50 = 370.0 nM 349.39 COC(=O)C(Cn1ccnc1)NC(=O)c1ccc(-c2ccccc2)cc1 Homo sapiens CHEMBL3620653 cell-based format
CHEMBL1831087 OBDepict O O H 3 C H 3 C N N N H IC50 = 400.0 nM 475.59 CC(C)(C(=O)OCc1ccccc1)C(c1ccc(Nc2ccc3ccccc3c2)cc1)n1ccnc1 Homo sapiens CHEMBL1833279 single protein format
CHEMBL3617988 OBDepict CH 3 O O N H N O N S N IC50 = 410.0 nM 330.37 COC(=O)C(Cn1ccnc1)NC(=O)c1nc2ccccc2s1 Homo sapiens CHEMBL3620653 cell-based format
CHEMBL2146979 OBDepict CH 3 O O H 3 C H 3 C N N N H Cl IC50 = 450.0 nM 383.88 COC(=O)C(C)(C)C(c1ccc(Nc2ccc(Cl)cc2)cc1)n1ccnc1 Homo sapiens CHEMBL2148657 microsome format
CHEMBL3617986 OBDepict CH 3 O CH 3 O N H N O N H 3 C N Cl N IC50 = 460.0 nM 415.88 Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NC(Cn1ccnc1)C(=O)OC(C)C Homo sapiens CHEMBL3620653 cell-based format
CHEMBL2147089 OBDepict CH 3 O O H 3 C H 3 C N N N N H N Br IC50 = 500.0 nM 430.31 COC(=O)C(C)(C)C(c1ccc(Nc2ccc(Br)nc2)cc1)n1cncn1 Homo sapiens CHEMBL2148657 microsome format
CHEMBL518482 OBDepict N N N H IC50 = 500.0 nM 375.48 c1ccc(C(c2ccc(Nc3ccc4ccccc4c3)cc2)n2ccnc2)cc1 Homo sapiens CHEMBL996935 cell-based format
CHEMBL389433 OBDepict Cl N N N N H IC50 = 540.0 nM 308.77 Clc1cccc(C(c2ccc3nc[nH]c3c2)n2ccnc2)c1 Homo sapiens CHEMBL1768149 microsome format
CHEMBL3617981 OBDepict H 3 C O CH 3 O N H N O N IC50 = 540.0 nM 377.44 CC(C)OC(=O)C(Cn1ccnc1)NC(=O)c1ccc(-c2ccccc2)cc1 Homo sapiens CHEMBL3620653 cell-based format
CHEMBL3617984 OBDepict CH 3 O O N H N O N H 3 C N Cl N IC50 = 600.0 nM 401.85 CCOC(=O)C(Cn1ccnc1)NC(=O)c1c(C)nn(-c2ccccc2)c1Cl Homo sapiens CHEMBL3620653 cell-based format
CHEMBL3617985 OBDepict CH 3 O O N H N O N CH 3 N Cl N IC50 = 620.0 nM 415.88 CCCOC(=O)C(Cn1ccnc1)NC(=O)c1c(C)nn(-c2ccccc2)c1Cl Homo sapiens CHEMBL3620653 cell-based format
CHEMBL3617991 OBDepict H 3 C O H 3 C O N H N O N S N IC50 = 630.0 nM 358.42 CC(C)OC(=O)C(Cn1ccnc1)NC(=O)c1nc2ccccc2s1 Homo sapiens CHEMBL3620653 cell-based format
CHEMBL3617979 OBDepict CH 3 O O HN N O N IC50 = 650.0 nM 363.42 CCOC(=O)C(Cn1ccnc1)NC(=O)c1ccc(-c2ccccc2)cc1 Homo sapiens CHEMBL3620653 cell-based format
CHEMBL2146982 OBDepict CH 3 O N H N CH 3 CH 3 O O CH 3 N IC50 = 700.0 nM 379.46 COC(=O)C(C)(C)C(c1ccc(Nc2ccc(OC)cc2)cc1)n1ccnc1 Homo sapiens CHEMBL2148657 microsome format
CHEMBL3617989 OBDepict H 3 C O O N H N O N S N IC50 = 740.0 nM 344.4 CCOC(=O)C(Cn1ccnc1)NC(=O)c1nc2ccccc2s1 Homo sapiens CHEMBL3620653 cell-based format
CHEMBL3617980 OBDepict CH 3 O O N H N O N IC50 = 790.0 nM 377.44 CCCOC(=O)C(Cn1ccnc1)NC(=O)c1ccc(-c2ccccc2)cc1 Homo sapiens CHEMBL3620653 cell-based format
CHEMBL3617990 OBDepict CH 3 O O N H N O N S N IC50 = 840.0 nM 358.42 CCCOC(=O)C(Cn1ccnc1)NC(=O)c1nc2ccccc2s1 Homo sapiens CHEMBL3620653 cell-based format
CHEMBL518642 OBDepict N N N H N O IC50 = 900.0 nM 366.42 c1ccc(C(c2ccc(Nc3nc4ccccc4o3)cc2)n2ccnc2)cc1 Homo sapiens CHEMBL996935 cell-based format
CHEMBL3617982 OBDepict H 3 C CH 3 O O HN N O N IC50 = 970.0 nM 391.47 CC(C)COC(=O)C(Cn1ccnc1)NC(=O)c1ccc(-c2ccccc2)cc1 Homo sapiens CHEMBL3620653 cell-based format
CHEMBL517904 OBDepict N N N H IC50 = 1000.0 nM 365.48 c1ccc(C(c2ccc(Nc3ccc4c(c3)CCC4)cc2)n2ccnc2)cc1 Homo sapiens CHEMBL996935 cell-based format
CHEMBL2205782 OBDepict CH 3 N H O H 3 C H 3 C N N N H Cl IC50 = 1000.0 nM 382.89 CNC(=O)C(C)(C)C(c1ccc(Nc2ccc(Cl)cc2)cc1)n1ccnc1 Homo sapiens CHEMBL2214483 microsome format
CHEMBL2205783 OBDepict H 3 C N H O CH 3 CH 3 N N N N H IC50 = 1000.0 nM 349.44 CNC(=O)C(C)(C)C(c1ccc(Nc2ccccc2)cc1)n1cncn1 Homo sapiens CHEMBL2214483 microsome format