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Target
Aromatase
Ligand
BDBM50213245
Substrate
n/a
Meas. Tech.
ChEMBL_436856 (CHEMBL905158)
IC50
3670±n/a nM
Citation
 Maiti, A; Cuendet, M; Croy, VL; Endringer, DC; Pezzuto, JM; Cushman, M Synthesis and biological evaluation of (+/-)-abyssinone II and its analogues as aromatase inhibitors for chemoprevention of breast cancer. J Med Chem 50:2799-806 (2007) [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:
BDBM50213245
Synonyms:
7-methoxy-2-[4-methoxy-3-(3-methylbut-2-enyl)phenyl]chroman-4-one | CHEMBL229635
Type:
Small organic molecule
Emp. Form.:
C22H24O4
Mol. Mass.:
352.4236
SMILES:
[#6]-[#8]-c1ccc2-[#6](=O)-[#6]-[#6](-[#8]-c2c1)-c1ccc(-[#8]-[#6])c(-[#6]\[#6]=[#6](\[#6])-[#6])c1
Structure:
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