Target
Steroid 17-alpha-hydroxylase/17,20 lyase
Ligand
BDBM50273776
Substrate
n/a
Meas. Tech.
ChEMBL_1752052 (CHEMBL4186812)
IC50
316±n/a nM
Citation
 Meyers, KCogan, DABurke, JArenas, RBalestra, MBrown, NFChen, ZCerny, MAClifford, HEColombo, FFader, LFrederick, KSGuo, XGoldberg, DHornberger, KRKugler, SLord, JMarshall, DRMoss, NParmentier, JHRichman, JRSchmenk, JWeldon, SMYu, MZhang, M Dihydrobenzisoxazole-4-one compounds are novel selective inhibitors of aldosterone synthase (CYP11B2) with in vivo activity. Bioorg Med Chem Lett 28:979-984 (2018) [PubMed]  Article 
Target
Name:
Steroid 17-alpha-hydroxylase/17,20 lyase
Synonyms:
CP17A_HUMAN | CYP17 | CYP17A1 | CYPXVII | Cytochrome P450 17A1 | Cytochrome P450 C17 (CYP17 ) | Cytochrome P450 C17 (CYP17) | Cytochrome P450 CYP17 | Cytochrome P450-C17 | Cytochrome P450-C17 (CYP17) | P450-C17 | S17AH | Steroid 17-alpha-Monooxygenase (CYP17) | Steroid 17-alpha-hydroxylase/17,20 lyase | Steroid 17-alpha-monooxygenase | cytochrome P450 monooxygenase 17 alpha hydroxylase/17,20-lyase (CYP17)
Type:
Enzyme
Mol. Mass.:
57382.42
Organism:
Homo sapiens (Human)
Description:
E.coli expressing human CYP17
Residue:
508
Sequence:
MWELVALLLLTLAYLFWPKRRCPGAKYPKSLLSLPLVGSLPFLPRHGHMHNNFFKLQKKYGPIYSVRMGTKTTVIVGHHQLAKEVLIKKGKDFSGRPQMATLDIASNNRKGIAFADSGAHWQLHRRLAMATFALFKDGDQKLEKIICQEISTLCDMLATHNGQSIDISFPVFVAVTNVISLICFNTSYKNGDPELNVIQNYNEGIIDNLSKDSLVDLVPWLKIFPNKTLEKLKSHVKIRNDLLNKILENYKEKFRSDSITNMLDTLMQAKMNSDNGNAGPDQDSELLSDNHILTTIGDIFGAGVETTTSVVKWTLAFLLHNPQVKKKLYEEIDQNVGFSRTPTISDRNRLLLLEATIREVLRLRPVAPMLIPHKANVDSSIGEFAVDKGTEVIINLWALHHNEKEWHQPDQFMPERFLNPAGTQLISPSVSYLPFGAGPRSCIGEILARQELFLIMAWLLQRFDLEVPDDGQLPSLEGIPKVVFLIDSFKVKIKVRQAWREAQAEGST
  
Inhibitor
Name:
BDBM50273776
Synonyms:
1-Methyl-6-pyridin-3-yl-3,4-dihydroquinolin-2(1H)-one | CHEMBL446083
Type:
Small organic molecule
Emp. Form.:
C15H14N2O
Mol. Mass.:
238.2845
SMILES:
CN1C(=O)CCc2cc(ccc12)-c1cccnc1
Structure:
Search PDB for entries with ligand similarity: