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SMILES: Clc1ccccc1-c1nc2c([nH]1)c(OCc1ccccc1)nc1cc(Br)ccc21

InChI Key: InChIKey=DMFWJPBDVHOAND-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50360829   
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
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50360829
PNG
(CHEMBL1934807)
Show SMILES Clc1ccccc1-c1nc2c([nH]1)c(OCc1ccccc1)nc1cc(Br)ccc21
Show InChI InChI=1S/C23H15BrClN3O/c24-15-10-11-17-19(12-15)26-23(29-13-14-6-2-1-3-7-14)21-20(17)27-22(28-21)16-8-4-5-9-18(16)25/h1-12H,13H2,(H,27,28)
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n/an/a 172n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of microsomal PGES1 transfected in human HEK293 cells assessed as PGE2 production after 60 mins by HTRF assay

Bioorg Med Chem Lett 22: 285-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.015
BindingDB Entry DOI: 10.7270/Q2PR7WFN
More data for this
Ligand-Target Pair