Reaction Details Report a problem with these data
Target
Aromatase
Ligand
BDBM50421878
Substrate
n/a
Meas. Tech.
ChEMBL_1547124 (CHEMBL3755859)
Ki
2.5±n/a nM
Citation
 Yadav, MR; Barmade, MA; Tamboli, RS; Murumkar, PR Developing steroidal aromatase inhibitors-an effective armament to win the battle against breast cancer. Eur J Med Chem 105:1-38 (2015) [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:
BDBM50421878
Synonyms:
CHEMBL2311178
Type:
Small organic molecule
Emp. Form.:
C19H22O2
Mol. Mass.:
282.3768
SMILES:
C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)C=C[C@]34C)[C@@H]1CCC2=O |c:6,12,t:8|
Structure:
Search PDB for entries with ligand similarity: