BDBM50028869 CHEMBL3342707

SMILES: CC(C)C(=O)NCc1ccc(Cl)c(c1)-c1nc2cc(ccc2c(=O)[nH]1)[N+]([O-])=O

InChI Key: InChIKey=KCBXIEQXOZERAQ-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 = 50028869   

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))	BDBM50028869 (CHEMBL3342707) Show SMILES CC(C)C(=O)NCc1ccc(Cl)c(c1)-c1nc2cc(ccc2c(=O)[nH]1)[N+]([O-])=O Show InChI InChI=1S/C19H17ClN4O4/c1-10(2)18(25)21-9-11-3-6-15(20)14(7-11)17-22-16-8-12(24(27)28)4-5-13(16)19(26)23-17/h3-8,10H,9H2,1-2H3,(H,21,25)(H,22,23,26)	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	63	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