BDBM124280 US8759537, 17

SMILES: Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)Nc3ccc(F)c(Cl)c3)c(F)cc12

InChI Key: InChIKey=PGARKUYMPXOIPJ-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 124280   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Prostaglandin E synthase (Homo sapiens (Human))	BDBM124280 (US8759537, 17) Show SMILES Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)Nc3ccc(F)c(Cl)c3)c(F)cc12 Show InChI InChI=1S/C27H24Cl3F2N5O2/c1-27(2,3)25(39)33-12-13-5-7-16(28)23(22(13)30)36-26-35-20-10-15(19(32)11-21(20)37(26)4)24(38)34-14-6-8-18(31)17(29)9-14/h5-11H,12H2,1-4H3,(H,33,39)(H,34,38)(H,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.4	25
Boehringer Ingelheim International GmbH US Patent					Assay Description The aim of this assay is to determine the affinity of a test compound for the mPGES-1 enzyme. 47 ul of recombinant human mPGES-1 (0.5 ug protein/wel...				US Patent US8759537 (2014) BindingDB Entry DOI: 10.7270/Q2959G7G
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