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Target
Aromatase
Ligand
BDBM13061
Substrate
n/a
Meas. Tech.
Aromatase Inhibition Activity Assay
pH
7.5±n/a
Temperature
310.15±n/a K
IC50
2.8± 0.6 nM
Comments
extracted
Citation
 Yi, XJ; El-Idreesy, TT; Eldebss, TM; Farag, AM; Abdulla, MM; Hassan, SA; Mabkhot, YN Synthesis, biological evaluation, and molecular docking studies of new pyrazol-3-one derivatives with aromatase inhibition activities. Chem Biol Drug Des 88:832-843 (2016) [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:
BDBM13061
Synonyms:
4,4 -(1H-1,2,4-triazol-1-ylmethanediyl)dibenzonitrile | 4-[(4-cyanophenyl)(1H-1,2,4-triazol-1-yl)methyl]benzonitrile | CHEMBL1444 | Letrozole
Type:
Small organic molecule
Emp. Form.:
C17H11N5
Mol. Mass.:
285.3027
SMILES:
N#Cc1ccc(cc1)C(c1ccc(cc1)C#N)n1cncn1
Structure:
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