Reaction Details Report a problem with these data
Target
Aromatase
Ligand
BDBM50339644
Substrate
n/a
Meas. Tech.
ChEMBL_1440359 (CHEMBL3385621)
IC50
169±n/a nM
Citation
 Stefanachi, A; Hanke, N; Pisani, L; Leonetti, F; Nicolotti, O; Catto, M; Cellamare, S; Hartmann, RW; Carotti, A Discovery of new 7-substituted-4-imidazolylmethyl coumarins and 4'-substituted-2-imidazolyl acetophenones open analogues as potent and selective inhibitors of steroid-11ß-hydroxylase. Eur J Med Chem 89:106-14 (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:
BDBM50339644
Synonyms:
7-[(3,5-Difluorobenzyl)oxy]-4-(1H-imidazol-1-ylmethyl)-2H-chromen-2-one | CHEMBL1688900
Type:
Small organic molecule
Emp. Form.:
C20H14F2N2O3
Mol. Mass.:
368.3336
SMILES:
Fc1cc(F)cc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)c1
Structure:
Search PDB for entries with ligand similarity: