Reaction Details Report a problem with these data
Target
Cytochrome P450 11B1, mitochondrial
Ligand
BDBM50425452
Substrate
n/a
Meas. Tech.
ChEMBL_935760 (CHEMBL2321524)
IC50
4.0±n/a nM
Citation
 Yin, L; Hu, Q; Hartmann, RW Tetrahydropyrroloquinolinone type dual inhibitors of aromatase/aldosterone synthase as a novel strategy for breast cancer patients with elevated cardiovascular risks. J Med Chem 56:460-70 (2013) [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:
BDBM50425452
Synonyms:
CHEMBL2312967
Type:
Small organic molecule
Emp. Form.:
C18H18N2O
Mol. Mass.:
278.3483
SMILES:
CC(c1cccnc1)c1cc2CCN3c2c(CCC3=O)c1
Structure:
Search PDB for entries with ligand similarity: