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Target
Aromatase
Ligand
BDBM202576
Substrate
n/a
Meas. Tech.
Aromatase Inhibition Activity Assay
pH
7.5±n/a
Temperature
310.15±n/a K
IC50
3.7± 0.2 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:
BDBM202576
Synonyms:
1-Phenyl-3-[4-(1,2-Dihydro-1,5-dimethyl-2-phenyl-3-oxo-3H-pyrazol-4-ylcarbonyl]-4-thiocyanatopyrazole (13)
Type:
Small organic molecule
Emp. Form.:
C22H18N4OS
Mol. Mass.:
386.47
SMILES:
Cc1c(-c2nn(cc2SC#C)-c2ccccc2)c(=O)n(-c2ccccc2)n1C |(6.84,-23.1,;5.43,-22.48,;5.11,-20.97,;6.14,-19.83,;7.39,-20.73,;8.63,-19.83,;8.16,-18.36,;6.62,-18.36,;5.71,-17.12,;6.34,-15.71,;6.74,-14.22,;10.1,-20.3,;10.42,-21.81,;11.88,-22.29,;13.03,-21.25,;12.71,-19.75,;11.24,-19.27,;3.58,-20.81,;2.81,-19.48,;2.95,-22.22,;1.45,-22.54,;.42,-21.39,;-1.09,-21.71,;-1.57,-23.18,;-.53,-24.32,;.97,-24,;4.1,-23.25,;3.94,-24.78,)|
Structure:
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