Reaction Details  Report a problem with these data
Target
Aromatase
Ligand
BDBM50174543
Substrate
n/a
Meas. Tech.
ChEMBL_321624 (CHEMBL871633)
IC50
670±n/a nM
Citation
 Cepa, MM; Tavares da Silva, EJ; Correia-da-Silva, G; Roleira, FM; Teixeira, NA Structure-activity relationships of new A,D-ring modified steroids as aromatase inhibitors: design, synthesis, and biological activity evaluation. J Med Chem 48:6379-85 (2005) [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:
BDBM50174543
Synonyms:
(3R,5R,10R,13S)-3-Hydroxy-10,13-dimethyl-tetradecahydro-cyclopenta[a]phenanthrene-4,17-dione | CHEMBL198818
Type:
Small organic molecule
Emp. Form.:
C19H28O3
Mol. Mass.:
304.4238
SMILES:
C[C@]12CCC3C(CC[C@H]4C(=O)[C@H](O)CC[C@]34C)C1CCC2=O
Structure:
Search PDB for entries with ligand similarity: