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Target
Aromatase
Ligand
BDBM50332829
Substrate
n/a
Meas. Tech.
ChEMBL_696883 (CHEMBL1639399)
IC50
2400±n/a nM
Citation
 Dai, Y; Wang, Q; Zhang, X; Jia, S; Zheng, H; Feng, D; Yu, P Molecular docking and QSAR study on steroidal compounds as aromatase inhibitors. Eur J Med Chem 45:5612-20 (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:
BDBM50332829
Synonyms:
(5R,8R,9S,10R,13S,14S)-10,13-dimethyldodecahydro-1H-cyclopenta[alpha]phenanthrene-4,17(10H,14H)-dione | CHEMBL1630279
Type:
Small organic molecule
Emp. Form.:
C19H28O2
Mol. Mass.:
288.4244
SMILES:
C[C@]12CC[C@H]3[C@@H](CC[C@H]4C(=O)CCC[C@]34C)[C@@H]1CCC2=O |r|
Structure:
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