Reaction Details Report a problem with these data
Target
Cytochrome P450 11B1, mitochondrial
Ligand
BDBM8881
Substrate
BDBM8582
Meas. Tech.
CYP11B Assay
pH
7.4±n/a
Temperature
310.15±n/a K
IC50
19.5±n/a nM
Citation
 Ulmschneider, S; Muller-Vieira, U; Mitrenga, M; Hartmann, RW; Oberwinkler-Marchais, S; Klein, CD; Bureik, M; Bernhardt, R; Antes, I; Lengauer, T Synthesis and evaluation of imidazolylmethylenetetrahydronaphthalenes and imidazolylmethyleneindanes: potent inhibitors of aldosterone synthase. J Med Chem 48:1796-805 (2005) [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:
BDBM8881
Synonyms:
5-[(E)-(5-Chloro-2,3-dihydro-1H-inden-1-ylidene)methyl]-1H-imidazole | 5-{[(1E)-5-chloro-2,3-dihydro-1H-inden-1-ylidene]methyl}-1H-imidazole | Imidazolylmethyleneindane 8a | Imidazolylmethyleneindane 8b
Type:
Small organic molecule
Emp. Form.:
C13H11ClN2
Mol. Mass.:
230.693
SMILES:
Clc1ccc2C(CCc2c1)=Cc1cnc[nH]1 |w:10.12|
Structure:
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Substrate
Name:
BDBM8582
Synonyms:
(1S,2R,10S,11S,14S,15S)-14-(2-hydroxyacetyl)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-5-one | 11-deoxycorticosterone | 21-hydroxypregn-4-ene-3,20-dione | DOC | [4-14C]-11-deoxycorticosterone | deoxycorticosterone
Type:
Small organic molecule
Emp. Form.:
C21H30O3
Mol. Mass.:
330.4611
SMILES:
[H][C@@]12CC[C@H](C(=O)CO)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:21|
Structure:
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