Reaction Details Report a problem with these data
Target
Aromatase
Ligand
BDBM202574
Substrate
n/a
Meas. Tech.
Aromatase Inhibition Activity Assay
pH
7.5±n/a
Temperature
310.15±n/a K
IC50
4.1± 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 
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:
BDBM202574
Synonyms:
2-[4-(1,2-Dihydro-1,5-dimethyl-2-phenyl-3-oxo-3H-pyrazol-4-yl)]-1,3,4-thidiazole[3,2-a]-1,3-quinazoline-2-imine (10a)
Type:
Small organic molecule
Emp. Form.:
C21H16N6O2S
Mol. Mass.:
416.456
SMILES:
Cc1c(C(=O)c2nn3c(nc(=N)c4ccccc34)s2)c(=O)n(-c2ccccc2)n1C
Structure:
Search PDB for entries with ligand similarity: