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Target
Aromatase
Ligand
BDBM9894
Substrate
BDBM8592
Meas. Tech.
CYP19 Assay
pH
7±n/a
Temperature
310.15±n/a K
Ki
4400±340 nM
IC50
4700±n/a nM
Km
120±10 nM
Citation
 Hackett, JC; Kim, YW; Su, B; Brueggemeier, RW Synthesis and characterization of azole isoflavone inhibitors of aromatase. Bioorg Med Chem 13:4063-70 (2005) [PubMed]  Article
Target
Name:
Aromatase
Synonyms:
ARO1 | Aromatase | CP19A_HUMAN | CYAR | CYP19 | CYP19A1 | CYPXIX | Cytochrome P-450AROM | Cytochrome P450 19A1 | Cytochrome P450 2C19 | Cytochrome P450-C19 (CYP19) | Estrogen synthetase | FL cytokine receptor precursor | P-450AROM
Type:
Enzyme
Mol. Mass.:
57888.92
Organism:
Homo sapiens (Human)
Description:
P11511
Residue:
503
Sequence:
MVLEMLNPIHYNITSIVPEAMPAATMPVLLLTGLFLLVWNYEGTSSIPGPGYCMGIGPLISHGRFLWMGIGSACNYYNRVYGEFMRVWISGEETLIISKSSSMFHIMKHNHYSSRFGSKLGLQCIGMHEKGIIFNNNPELWKTTRPFFMKALSGPGLVRMVTVCAESLKTHLDRLEEVTNESGYVDVLTLLRRVMLDTSNTLFLRIPLDESAIVVKIQGYFDAWQALLIKPDIFFKISWLYKKYEKSVKDLKDAIEVLIAEKRRRISTEEKLEECMDFATELILAEKRGDLTRENVNQCILEMLIAAPDTMSVSLFFMLFLIAKHPNVEEAIIKEIQTVIGERDIKIDDIQKLKVMENFIYESMRYQPVVDLVMRKALEDDVIDGYPVKKGTNIILNIGRMHRLEFFPKPNEFTLENFAKNVPYRYFQPFGFGPRGCAGKYIAMVMMKAILVTLLRRFHVKTLQGQCVESIQKIHDLSLHPDETKNMLEMIFTPRNSDRCLEH
  
Inhibitor
Name:
BDBM9894
Synonyms:
2-(1H-Imidazol-1-yl)-3-(4-methoxyphenyl)-7-(benzyloxy)-4H-1-benzopyran-4-one | 7-(benzyloxy)-2-(1H-imidazol-1-yl)-3-(4-methoxyphenyl)-4H-chromen-4-one | CHEMBL189274 | azole isoflavone analog 2d
Type:
Small organic molecule
Emp. Form.:
C26H20N2O4
Mol. Mass.:
424.448
SMILES:
COc1ccc(cc1)-c1c(oc2cc(OCc3ccccc3)ccc2c1=O)-n1ccnc1
Structure:
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Substrate
Name:
BDBM8592
Synonyms:
(2R,15S)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-ene-5,14-dione | 4-Androsten-3,17-dione | Androst-4-ene-3,17-dione | Androstenedione | [1beta-3H] androstenedione
Type:
Small organic molecule
Emp. Form.:
C19H26O2
Mol. Mass.:
286.4085
SMILES:
C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CCC2=O |r,t:8|
Structure:
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