Reaction Details Report a problem with these data
Target
Aromatase
Ligand
BDBM202577
Substrate
n/a
Meas. Tech.
ChEMBL_2273444
IC50
2.3±n/a nM
Citation
 Zhao, Z; Dai, X; Li, C; Wang, X; Tian, J; Feng, Y; Xie, J; Ma, C; Nie, Z; Fan, P; Qian, M; He, X; Wu, S; Zhang, Y; Zheng, X Pyrazolone structural motif in medicinal chemistry: Retrospect and prospect. Eur J Med Chem 186:0 (2020) [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:
BDBM202577
Synonyms:
3-[4-(1,2-Dihydro-1,5-dimethyl-2-phenyl-3-oxo-3H-pyrazol-4-ylcarbonyl]isoxazole (16)
Type:
Small organic molecule
Emp. Form.:
C15H12N4O2S
Mol. Mass.:
312.346
SMILES:
Cc1c(-c2nocc2SC#N)c(=O)n(-c2ccccc2)n1C |(16.74,-22.83,;15.33,-22.2,;15.01,-20.7,;16.04,-19.55,;17.57,-19.71,;18.2,-18.31,;17.06,-17.28,;15.72,-18.05,;14.32,-17.42,;14.15,-15.89,;14.15,-14.35,;13.48,-20.54,;12.71,-19.2,;12.85,-21.94,;11.35,-22.26,;10.32,-21.12,;8.81,-21.44,;8.33,-22.9,;9.37,-24.05,;10.87,-23.73,;14,-22.97,;13.84,-24.5,)|
Structure:
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