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Target
Aromatase
Ligand
BDBM8602
Substrate
n/a
Meas. Tech.
ChEMBL_658930 (CHEMBL1246069)
IC50
980±n/a nM
Citation
 Nagar, S; Saha, A Exploring benzcyclo derivatives as potent aromatase inhibitors using ligand-based modeling studies. Eur J Med Chem 45:4307-15 (2010) [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:
BDBM8602
Synonyms:
(3-Pyridylmethylene)tetrahydronaphthalene 17a | 3-{[(1E)-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-ylidene]methyl}pyridine
Type:
Small organic molecule
Emp. Form.:
C18H19NO2
Mol. Mass.:
281.349
SMILES:
COc1cc2CCC\C(=C/c3cccnc3)c2cc1OC
Structure:
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