Reaction Details
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Aromatase
Ligand
BDBM202578
Substrate
n/a
Meas. Tech.
Aromatase Inhibition Activity Assay
pH
7.5±n/a
Temperature
310.15±n/a K
IC50
3.4± 0.1 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 More Info.:
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:
BDBM202578
Synonyms:
3-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-5H-thiazolo[2,3-b]quinazolin-5-one (21)
Type:
Small organic molecule
Emp. Form.:
C21H18N4O2S
Mol. Mass.:
390.458
SMILES:
CC1C(C(=O)N(N1C)c1ccccc1)c1csc2nc3ccccc3c(=O)n12
Structure:
