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Target
Aromatase
Ligand
BDBM10004
Substrate
n/a
Meas. Tech.
ChEMBL_2205587 (CHEMBL5118295)
IC50
0.150000±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:
BDBM10004
Synonyms:
1-[(4-fluorophenyl)(6-methoxy-1-benzofuran-2-yl)methyl]-1H-1,2,4-triazole | 1-[(6-Methoxybenzofuran-2-yl)-(4-fluorophenyl)methyl]-1H-1,2,4-triazole | Benzofuran Triazole Derivative 7a
Type:
Small organic molecule
Emp. Form.:
C18H14FN3O2
Mol. Mass.:
323.3211
SMILES:
COc1ccc2cc(oc2c1)C(c1ccc(F)cc1)n1cncn1
Structure:
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