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Target
Aromatase
Ligand
BDBM50318392
Substrate
n/a
Meas. Tech.
ChEMBL_630232 (CHEMBL1105634)
IC50
15±n/a nM
Citation
 Muftuoglu, Y; Mustata, G Pharmacophore modeling strategies for the development of novel nonsteroidal inhibitors of human aromatase (CYP19). Bioorg Med Chem Lett 20:3050-64 (2010) [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:
BDBM50318392
Synonyms:
(3aS,9aS,9bS)-6,9-Dimethyl-3-methylene-3,3a,4,5,9a,9b-hexahydro-azuleno[4,5-b]furan-2,7-dione | 6,9-Dimethyl-3-methylene-3,3a,4,5,9a,9b-hexahydro-azuleno[4,5-b]furan-2,7-dione | CHEMBL441260 | Dehydroleucodin | dehydroleucodine
Type:
Small organic molecule
Emp. Form.:
C15H16O3
Mol. Mass.:
244.2857
SMILES:
CC1=CC(=O)C2=C(C)CC[C@@H]3[C@H](OC(=O)C3=C)[C@@H]12 |r,c:5,t:1|
Structure:
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