BDBM50142262 CHEMBL3759737

SMILES: CC(C)(C)C(=O)NCc1ccc(c(c1)C(=O)Nc1ncc[nH]1)C(F)(F)F

InChI Key: InChIKey=IXTOIVYPNATGCN-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50142262   

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))	BDBM50142262 (CHEMBL3759737) Show SMILES CC(C)(C)C(=O)NCc1ccc(c(c1)C(=O)Nc1ncc[nH]1)C(F)(F)F Show InChI InChI=1S/C17H19F3N4O2/c1-16(2,3)14(26)23-9-10-4-5-12(17(18,19)20)11(8-10)13(25)24-15-21-6-7-22-15/h4-8H,9H2,1-3H3,(H,23,26)(H2,21,22,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of mPGES1 in rhIL-1beta-stimulated human A549 cells assessed as PGE2 level treated for 18 hrs after 30 mins pre-incubation with rhIL-1beta...				J Med Chem 59: 194-205 (2016) BindingDB Entry DOI: 10.7270/Q2474CQR
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50142262 (CHEMBL3759737) Show SMILES CC(C)(C)C(=O)NCc1ccc(c(c1)C(=O)Nc1ncc[nH]1)C(F)(F)F Show InChI InChI=1S/C17H19F3N4O2/c1-16(2,3)14(26)23-9-10-4-5-12(17(18,19)20)11(8-10)13(25)24-15-21-6-7-22-15/h4-8H,9H2,1-3H3,(H,23,26)(H2,21,22,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human microsomal PGES1 expressed in 293E cells by LC/MS/MS analysis				J Med Chem 59: 194-205 (2016) BindingDB Entry DOI: 10.7270/Q2474CQR
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50142262 (CHEMBL3759737) Show SMILES CC(C)(C)C(=O)NCc1ccc(c(c1)C(=O)Nc1ncc[nH]1)C(F)(F)F Show InChI InChI=1S/C17H19F3N4O2/c1-16(2,3)14(26)23-9-10-4-5-12(17(18,19)20)11(8-10)13(25)24-15-21-6-7-22-15/h4-8H,9H2,1-3H3,(H,23,26)(H2,21,22,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of mPGES1 in LPS-induced human whole blood assessed as suppression of PGE2 response after 20 to 24 hrs by LC-MS/MS analysis				J Med Chem 59: 194-205 (2016) BindingDB Entry DOI: 10.7270/Q2474CQR
					More data for this Ligand-Target Pair