Reaction Details Report a problem with these data
Target
Aromatase
Ligand
BDBM50069754
Substrate
n/a
Meas. Tech.
ChEMBL_1469289 (CHEMBL3414091)
IC50
810±n/a nM
Citation
 Varela, CL; Amaral, C; Tavares da Silva, E; Lopes, A; Correia-da-Silva, G; Carvalho, RA; Costa, SC; Roleira, FM; Teixeira, N Exemestane metabolites: Synthesis, stereochemical elucidation, biochemical activity and anti-proliferative effects in a hormone-dependent breast cancer cell line. Eur J Med Chem 87:336-45 (2014) [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:
BDBM50069754
Synonyms:
CHEMBL3407537
Type:
Small organic molecule
Emp. Form.:
C20H24O3
Mol. Mass.:
312.4028
SMILES:
[H][C@@]12O[C@]1([H])[C@@]1(C)C(=CC2=O)C(=C)C[C@@]2([H])[C@]3([H])CCC(=O)[C@@]3(C)CC[C@]12[H] |r,c:8|
Structure:
Search PDB for entries with ligand similarity: