Reaction Details Report a problem with these data
Target
Cytochrome P450 11B1, mitochondrial
Ligand
BDBM101413
Substrate
n/a
Meas. Tech.
Cellular Enzyme Assay
Temperature
310.15±n/a K
EC50
586±n/a nM
Comments
extracted
Citation
 Aebi, J; Amrein, K; Chen, W; Hornsperger, B; Kuhn, B; Liu, Y; Maerki, HP; Martin, RE; Mayweg, A; Tan, X; Wang, L; Zhou, M 3,4-dihydro-2H-isoquinoline-1-one and 2,3-dihydro-isoindol-1-one compounds US Patent  US9695152 Publication Date 7/4/2017 
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:
BDBM101413
Synonyms:
US9695152, 34
Type:
Small organic molecule
Emp. Form.:
C24H23N7O2
Mol. Mass.:
441.4851
SMILES:
Cn1ccnc1C(=O)N1CC(C1)Nc1cncc(c1)N1C(=O)c2ccc(cc2C1(C)C)C#N
Structure:
Search PDB for entries with ligand similarity: