Reaction Details Report a problem with these data
Target
Aromatase
Ligand
BDBM10035
Substrate
n/a
Meas. Tech.
ChEMBL_560809 (CHEMBL1011777)
IC50
2400±n/a nM
Citation
 Neves, MA; Dinis, TC; Colombo, G; Sá e Melo, ML Fast three dimensional pharmacophore virtual screening of new potent non-steroid aromatase inhibitors. J Med Chem 52:143-50 (2009) [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:
BDBM10035
Synonyms:
1-[(2Z)-2-(6,7-dihydro-1-benzofuran-4(5H)-ylidene)ethyl]-1H-imidazole | 1-{2-[(4Z)-4,5,6,7-tetrahydro-1-benzofuran-4-ylidene]ethyl}-1H-imidazole | CHEMBL56059 | Tetrahydrobenzo[b]furan 34Z
Type:
Small organic molecule
Emp. Form.:
C13H14N2O
Mol. Mass.:
214.2631
SMILES:
C(\C=C1\CCCc2occc12)n1ccnc1
Structure:
Search PDB for entries with ligand similarity: