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Target
Aromatase
Ligand
BDBM50444553
Substrate
n/a
Meas. Tech.
ChEMBL_1281893 (CHEMBL3101167)
IC50
50±n/a nM
Citation
 Meredith, EL; Ksander, G; Monovich, LG; Papillon, JP; Liu, Q; Miranda, K; Morris, P; Rao, C; Burgis, R; Capparelli, M; Hu, QY; Singh, A; Rigel, DF; Jeng, AY; Beil, M; Fu, F; Hu, CW; LaSala, D Discovery and in Vivo Evaluation of Potent Dual CYP11B2 (Aldosterone Synthase) and CYP11B1 Inhibitors. ACS Med Chem Lett 4:1203-7 (2013) [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:
BDBM50444553
Synonyms:
CHEMBL3099686
Type:
Small organic molecule
Emp. Form.:
C15H12ClN3O2
Mol. Mass.:
301.728
SMILES:
COC(=O)[C@@]1(CCc2cncn12)c1ccc(cc1Cl)C#N |r|
Structure:
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