Reaction Details Report a problem with these data
Target
Aromatase
Ligand
BDBM8610
Substrate
BDBM8592
Meas. Tech.
CYP11B Assay
IC50
40±n/a nM
Citation
 Voets, M; Antes, I; Scherer, C; Muller-Vieira, U; Biemel, K; Marchais-Oberwinkler, S; Hartmann, RW Synthesis and evaluation of heteroaryl-substituted dihydronaphthalenes and indenes: potent and selective inhibitors of aldosterone synthase (CYP11B2) for the treatment of congestive heart failure and myocardial fibrosis. Pharmacol Rev 49:2222-31 (2006) [PubMed]  Article 
Target
Name:
Aromatase
Synonyms:
Aromatase | CYPXIX | Cytochrome P-450AROM | Cytochrome P450 2C19 | Cytochrome P450-C19 (CYP19) | Estrogen synthetase | FL cytokine receptor precursor | P-450AROM | CP19A_HUMAN | CYP19A1 | ARO1 | CYAR | CYP19 | Cytochrome P450 19A1
Type:
Enzyme
Mol. Mass.:
57888.92
Organism:
Human
Description:
P11511
Residue:
503
Sequence:
MVLEMLNPIHYNITSIVPEAMPAATMPVLLLTGLFLLVWNYEGTSSIPGPGYCMGIGPLISHGRFLWMGIGSACNYYNRVYGEFMRVWISGEETLIISKSSSMFHIMKHNHYSSRFGSKLGLQCIGMHEKGIIFNNNPELWKTTRPFFMKALSGPGLVRMVTVCAESLKTHLDRLEEVTNESGYVDVLTLLRRVMLDTSNTLFLRIPLDESAIVVKIQGYFDAWQALLIKPDIFFKISWLYKKYEKSVKDLKDAIEVLIAEKRRRISTEEKLEECMDFATELILAEKRGDLTRENVNQCILEMLIAAPDTMSVSLFFMLFLIAKHPNVEEAIIKEIQTVIGERDIKIDDIQKLKVMENFIYESMRYQPVVDLVMRKALEDDVIDGYPVKKGTNIILNIGRMHRLEFFPKPNEFTLENFAKNVPYRYFQPFGFGPRGCAGKYIAMVMMKAILVTLLRRFHVKTLQGQCVESIQKIHDLSLHPDETKNMLEMIFTPRNSDRCLEH
  
Inhibitor
Name:
BDBM8610
Synonyms:
24F2-1,25(OH)D3 | Ketoconazole (k) | KTZ | 1-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]ethan-1-one | CHEMBL75 | Ketoconazole | US9138393, Ketoconozole | US9144538, Ketoconozole
Type:
Small organic molecule
Emp. Form.:
C26H28Cl2N4O4
Mol. Mass.:
530.15
SMILES:
CC(=O)N1CCN(CC1)c2ccc(cc2)OC[C@H]3CO[C@](O3)(Cn4ccnc4)c5ccc(cc5Cl)Cl
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM8592
Synonyms:
[1beta-3H] androstenedione | 4-Androsten-3,17-dione | (2R,15S)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-ene-5,14-dione | Androst-4-ene-3,17-dione | Androstenedione
Type:
Small organic molecule
Emp. Form.:
C19H26O2
Mol. Mass.:
286.19
SMILES:
C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CCC2=O |r,t:8|
Structure:
Search PDB for entries with ligand similarity: