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BDBM50322044 (Z)-1-(3-(3,5-Dimethoxyphenyl)-2-(4-nitrophenyl)allyl)-1H-imidazole::CHEMBL1170678

SMILES: COc1cc(OC)cc(\C=C(/Cn2ccnc2)c2ccc(cc2)[N+]([O-])=O)c1

InChI Key: InChIKey=YQTVYGYCYRUXSY-RQZCQDPDSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50322044   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Aromatase (CYP19)


(Homo sapiens (Human))
BDBM50322044
PNG
((Z)-1-(3-(3,5-Dimethoxyphenyl)-2-(4-nitrophenyl)al...)
Show SMILES COc1cc(OC)cc(\C=C(/Cn2ccnc2)c2ccc(cc2)[N+]([O-])=O)c1
Show InChI InChI=1S/C20H19N3O4/c1-26-19-10-15(11-20(12-19)27-2)9-17(13-22-8-7-21-14-22)16-3-5-18(6-4-16)23(24)25/h3-12,14H,13H2,1-2H3/b17-9+
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 70n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human aromatase preincubated with NADP+ for 10 mins before substrate addition measured after 30 mins


Bioorg Med Chem 18: 5352-66 (2010)


Article DOI: 10.1016/j.bmc.2010.05.042
BindingDB Entry DOI: 10.7270/Q2PK0H4P
More data for this
Ligand-Target Pair