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Target
Aromatase
Ligand
BDBM8594
Substrate
n/a
Meas. Tech.
ChEMBL_658930 (CHEMBL1246069)
IC50
5570±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:
BDBM8594
Synonyms:
(3-Pyridylmethylene)indane 11b | 3-{[(1Z)-5-methoxy-2,3-dihydro-1H-inden-1-ylidene]methyl}pyridine
Type:
Small organic molecule
Emp. Form.:
C16H15NO
Mol. Mass.:
237.2964
SMILES:
COc1ccc2\C(CCc2c1)=C/c1cccnc1
Structure:
Search PDB for entries with ligand similarity: