Reaction Details  Report a problem with these data
Target
Aromatase
Ligand
BDBM50509918
Substrate
n/a
Meas. Tech.
ChEMBL_1839627 (CHEMBL4339842)
Ki
97±n/a nM
Citation
 Nielsen, AJ; Raez-Villanueva, S; Crankshaw, DJ; Holloway, AC; McNulty, J Synthesis of ?-methylstilbenes using an aqueous Wittig methodology and application toward the development of potent human aromatase inhibitors. Bioorg Med Chem Lett 29:1395-1398 (2019) [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:
BDBM50509918
Synonyms:
CHEMBL4453517
Type:
Small organic molecule
Emp. Form.:
C17H13Cl2N3
Mol. Mass.:
330.211
SMILES:
Clc1ccc(\C=C(\Cn2ccnn2)c2ccc(Cl)cc2)cc1
Structure:
Search PDB for entries with ligand similarity: