Reaction Details Report a problem with these data
Target
Cytochrome P450 11B1, mitochondrial
Ligand
BDBM50341468
Substrate
n/a
Meas. Tech.
ChEMBL_742194 (CHEMBL1768364)
IC50
141±n/a nM
Citation
 Lucas, S; Negri, M; Heim, R; Zimmer, C; Hartmann, RW Fine-tuning the selectivity of aldosterone synthase inhibitors: structure-activity and structure-selectivity insights from studies of heteroaryl substituted 1,2,5,6-tetrahydropyrrolo[3,2,1-ij]quinolin-4-one derivatives. J Med Chem 54:2307-19 (2011) [PubMed]  Article 
Target
Name:
Cytochrome P450 11B1, mitochondrial
Synonyms:
C11B1_HUMAN | CYP11B1 | CYPXIB1 | Cytochrome P450 11B, mitochondrial precursor | Cytochrome P450 11B1 | Cytochrome P450 11B1 (CYP11B1) | Cytochrome P450 11B1, mitochondrial | S11BH
Type:
Enzyme
Mol. Mass.:
57591.44
Organism:
Homo sapiens (Human)
Description:
P15538
Residue:
503
Sequence:
MALRAKAEVCMAVPWLSLQRAQALGTRAARVPRTVLPFEAMPRRPGNRWLRLLQIWREQGYEDLHLEVHQTFQELGPIFRYDLGGAGMVCVMLPEDVEKLQQVDSLHPHRMSLEPWVAYRQHRGHKCGVFLLNGPEWRFNRLRLNPEVLSPNAVQRFLPMVDAVARDFSQALKKKVLQNARGSLTLDVQPSIFHYTIEASNLALFGERLGLVGHSPSSASLNFLHALEVMFKSTVQLMFMPRSLSRWTSPKVWKEHFEAWDCIFQYGDNCIQKIYQELAFSRPQQYTSIVAELLLNAELSPDAIKANSMELTAGSVDTTVFPLLMTLFELARNPNVQQALRQESLAAAASISEHPQKATTELPLLRAALKETLRLYPVGLFLERVASSDLVLQNYHIPAGTLVRVFLYSLGRNPALFPRPERYNPQRWLDIRGSGRNFYHVPFGFGMRQCLGRRLAEAEMLLLLHHVLKHLQVETLTQEDIKMVYSFILRPSMFPLLTFRAIN
  
Inhibitor
Name:
BDBM50341468
Synonyms:
8-[5-(Trifluoromethyl)pyridin-3-yl]-1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinolin-4-one | CHEMBL1765213
Type:
Small organic molecule
Emp. Form.:
C17H13F3N2O
Mol. Mass.:
318.2931
SMILES:
FC(F)(F)c1cncc(c1)-c1cc2CCN3c2c(CCC3=O)c1
Structure:
Search PDB for entries with ligand similarity: