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BDBM50028853 CHEMBL3342695

SMILES: CC(C)(C)C(=O)NCc1ccc(Cl)c(c1)C(=O)Nc1ccc(OCC(F)F)c(c1)C(=O)Nc1ccc(Br)cc1

InChI Key: InChIKey=BWNVYLNZPHKJED-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50028853   
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))		BDBM50028853
PNG
(CHEMBL3342695)
Show SMILES CC(C)(C)C(=O)NCc1ccc(Cl)c(c1)C(=O)Nc1ccc(OCC(F)F)c(c1)C(=O)Nc1ccc(Br)cc1
Show InChI InChI=1S/C28H27BrClF2N3O4/c1-28(2,3)27(38)33-14-16-4-10-22(30)20(12-16)25(36)35-19-9-11-23(39-15-24(31)32)21(13-19)26(37)34-18-7-5-17(29)6-8-18/h4-13,24H,14-15H2,1-3H3,(H,33,38)(H,34,37)(H,35,36)
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n/an/a 2n/an/an/an/an/an/a



Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mPGES-1 using PGH2 as substrate incubated for 25 mins prior to substrate addition measured after 1 min by HTRF method

Bioorg Med Chem Lett 24: 4838-44 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.056
BindingDB Entry DOI: 10.7270/Q2X068MN
More data for this
Ligand-Target Pair