Reaction Details Report a problem with these data
Target
Cytochrome P450 11B2, mitochondrial
Ligand
BDBM50062546
Substrate
n/a
Meas. Tech.
ChEMBL_1462890 (CHEMBL3399802)
IC50
24±n/a nM
Citation
 Grombein, CM; Hu, Q; Rau, S; Zimmer, C; Hartmann, RW Heteroatom insertion into 3,4-dihydro-1H-quinolin-2-ones leads to potent and selective inhibitors of human and rat aldosterone synthase. Eur J Med Chem 90:788-96 (2015) [PubMed]  Article 
Target
Name:
Cytochrome P450 11B2, mitochondrial
Synonyms:
Aldosterone Synthase (CYP11B2) | Aldosterone synthase | Aldosterone-synthesizing enzyme | C11B2_HUMAN | CYP11B2 | CYPXIB2 | Cytochrome P450 11B2 | Cytochrome P450 11B2 (CYP11B2) | Cytochrome P450 11B2, mitochondrial | P-450Aldo | P-450C18 | Steroid 18-hydroxylase
Type:
Protein
Mol. Mass.:
57582.15
Organism:
Homo sapiens (Human)
Description:
P19099
Residue:
503
Sequence:
MALRAKAEVCVAAPWLSLQRARALGTRAARAPRTVLPFEAMPQHPGNRWLRLLQIWREQGYEHLHLEMHQTFQELGPIFRYNLGGPRMVCVMLPEDVEKLQQVDSLHPCRMILEPWVAYRQHRGHKCGVFLLNGPEWRFNRLRLNPDVLSPKAVQRFLPMVDAVARDFSQALKKKVLQNARGSLTLDVQPSIFHYTIEASNLALFGERLGLVGHSPSSASLNFLHALEVMFKSTVQLMFMPRSLSRWISPKVWKEHFEAWDCIFQYGDNCIQKIYQELAFNRPQHYTGIVAELLLKAELSLEAIKANSMELTAGSVDTTAFPLLMTLFELARNPDVQQILRQESLAAAASISEHPQKATTELPLLRAALKETLRLYPVGLFLERVVSSDLVLQNYHIPAGTLVQVFLYSLGRNAALFPRPERYNPQRWLDIRGSGRNFHHVPFGFGMRQCLGRRLAEAEMLLLLHHVLKHFLVETLTQEDIKMVYSFILRPGTSPLLTFRAIN
  
Inhibitor
Name:
BDBM50062546
Synonyms:
CHEMBL3397604
Type:
Small organic molecule
Emp. Form.:
C13H10N2O2
Mol. Mass.:
226.2307
SMILES:
O=C1Nc2ccc(cc2CO1)-c1cccnc1
Structure:
Search PDB for entries with ligand similarity: