Reaction Details Report a problem with these data
Target
Cytochrome P450 11B2, mitochondrial
Ligand
BDBM50019876
Substrate
n/a
Meas. Tech.
ChEMBL_1361874 (CHEMBL3293049)
IC50
1285±n/a nM
Citation
 Yin, L; Hu, Q; Emmerich, J; Lo, MM; Metzger, E; Ali, A; Hartmann, RW Novel pyridyl- or isoquinolinyl-substituted indolines and indoles as potent and selective aldosterone synthase inhibitors. J Med Chem 57:5179-89 (2014) [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:
BDBM50019876
Synonyms:
CHEMBL3287171 | US9745282, 23
Type:
Small organic molecule
Emp. Form.:
C17H16N2O
Mol. Mass.:
264.3217
SMILES:
O=C(C1CC1)N1CCc2cc(ccc12)-c1cccnc1
Structure:
Search PDB for entries with ligand similarity: