BDBM50099412 CHEMBL3342847

SMILES: CC(C)C(=O)NCc1ccc(Cl)c(c1)-c1nc2cc(ccc2c(=O)[nH]1)-c1ccc(nc1)C(F)(F)F

InChI Key: InChIKey=OZJJONNFMCAYOG-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50099412   

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))	BDBM50099412 (CHEMBL3342847) Show SMILES CC(C)C(=O)NCc1ccc(Cl)c(c1)-c1nc2cc(ccc2c(=O)[nH]1)-c1ccc(nc1)C(F)(F)F Show InChI InChI=1S/C25H20ClF3N4O2/c1-13(2)23(34)31-11-14-3-7-19(26)18(9-14)22-32-20-10-15(4-6-17(20)24(35)33-22)16-5-8-21(30-12-16)25(27,28)29/h3-10,12-13H,11H2,1-2H3,(H,31,34)(H,32,33,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Glenmark Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibition of mPGES-1 in human A549 cells assessed as inhibition of IL-1beta-induced PGE2 production incubated for 30 mins prior to IL-1beta challeng...				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
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50099412 (CHEMBL3342847) Show SMILES CC(C)C(=O)NCc1ccc(Cl)c(c1)-c1nc2cc(ccc2c(=O)[nH]1)-c1ccc(nc1)C(F)(F)F Show InChI InChI=1S/C25H20ClF3N4O2/c1-13(2)23(34)31-11-14-3-7-19(26)18(9-14)22-32-20-10-15(4-6-17(20)24(35)33-22)16-5-8-21(30-12-16)25(27,28)29/h3-10,12-13H,11H2,1-2H3,(H,31,34)(H,32,33,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Glenmark Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibition of human recombinant mPGES-1 expressed in CHO cells using PGH2 as substrate incubated for 10 mins prior to substrate addition measured aft...				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