BDBM50099407 CHEMBL3342851

SMILES: CC(C)C(=O)NCc1cnc(C(F)F)c(c1)-c1nc2cc(ncc2c(=O)[nH]1)-c1ccc(cc1)C(F)(F)F

InChI Key: InChIKey=NXZOLQYZYQOURS-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 = 50099407   

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))	BDBM50099407 (CHEMBL3342851) Show SMILES CC(C)C(=O)NCc1cnc(C(F)F)c(c1)-c1nc2cc(ncc2c(=O)[nH]1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C25H20F5N5O2/c1-12(2)23(36)33-10-13-7-16(20(21(26)27)32-9-13)22-34-19-8-18(31-11-17(19)24(37)35-22)14-3-5-15(6-4-14)25(28,29)30/h3-9,11-12,21H,10H2,1-2H3,(H,33,36)(H,34,35,37)	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	4	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
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50099407 (CHEMBL3342851) Show SMILES CC(C)C(=O)NCc1cnc(C(F)F)c(c1)-c1nc2cc(ncc2c(=O)[nH]1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C25H20F5N5O2/c1-12(2)23(36)33-10-13-7-16(20(21(26)27)32-9-13)22-34-19-8-18(31-11-17(19)24(37)35-22)14-3-5-15(6-4-14)25(28,29)30/h3-9,11-12,21H,10H2,1-2H3,(H,33,36)(H,34,35,37)	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	111	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