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Target
Aromatase
Ligand
BDBM9461
Substrate
n/a
Meas. Tech.
ChEMBL_811753 (CHEMBL2014374)
IC50
113000±n/a nM
Citation
 Bonfield, K; Amato, E; Bankemper, T; Agard, H; Steller, J; Keeler, JM; Roy, D; McCallum, A; Paula, S; Ma, L Development of a new class of aromatase inhibitors: design, synthesis and inhibitory activity of 3-phenylchroman-4-one (isoflavanone) derivatives. Bioorg Med Chem 20:2603-13 (2012) [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:
BDBM9461
Synonyms:
5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one | Biochanin A (2) | Biochanin A (BCA) | Biochanin A, 9 | CHEMBL131921 | cid_5280373
Type:
Small organic molecule
Emp. Form.:
C16H12O5
Mol. Mass.:
284.2635
SMILES:
COc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O
Structure:
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