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SMILES: OC(=O)c1cccc(c1)-n1cncc1-c1cc(Cl)ccc1OCc1ccccc1

InChI Key: InChIKey=PGBMWNVGYFSLII-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50183187   
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
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50183187
PNG
(3-(5-(2-(benzyloxy)-5-chlorophenyl)-1H-imidazol-1-...)
Show SMILES OC(=O)c1cccc(c1)-n1cncc1-c1cc(Cl)ccc1OCc1ccccc1
Show InChI InChI=1S/C23H17ClN2O3/c24-18-9-10-22(29-14-16-5-2-1-3-6-16)20(12-18)21-13-25-15-26(21)19-8-4-7-17(11-19)23(27)28/h1-13,15H,14H2,(H,27,28)
PDB
MMDB

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PC cid
PC sid
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Article
PubMed
n/an/a 1.90E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CYP450 2C9


Bioorg Med Chem Lett 16: 2666-71 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.014
BindingDB Entry DOI: 10.7270/Q2J102RM
More data for this
Ligand-Target Pair