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Target
Aromatase
Ligand
BDBM10012
Substrate
n/a
Meas. Tech.
ChEMBL_2205587 (CHEMBL5118295)
IC50
0.790000±n/a nM
Citation
 Eissa, AG; Barrow, D; Gee, J; Powell, LE; Foster, PA; Simons, C 4th generation nonsteroidal aromatase inhibitors: An iterative SAR-guided design, synthesis, and biological evaluation towards picomolar dual binding inhibitors. Eur J Med Chem 240:0 (2022) [PubMed] 
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:
BDBM10012
Synonyms:
2-[(4-Chlorophenyl)-[1,2,4]triazol-1-ylmethyl]benzofuran-6-ol | 2-[(4-chlorophenyl)(1H-1,2,4-triazol-1-yl)methyl]-1-benzofuran-6-ol | Benzofuran Triazole Derivative 11b
Type:
Small organic molecule
Emp. Form.:
C17H12ClN3O2
Mol. Mass.:
325.749
SMILES:
Oc1ccc2cc(oc2c1)C(c1ccc(Cl)cc1)n1cncn1
Structure:
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