BDBM50425336 CHEMBL2315875

SMILES: Clc1ccc2oc(NCCCC(=O)NC3CCCC3)nc2c1

InChI Key: InChIKey=JMJNAGBLPSBNBK-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 = 50425336   

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))	BDBM50425336 (CHEMBL2315875) Show SMILES Clc1ccc2oc(NCCCC(=O)NC3CCCC3)nc2c1 Show InChI InChI=1S/C16H20ClN3O2/c17-11-7-8-14-13(10-11)20-16(22-14)18-9-3-6-15(21)19-12-4-1-2-5-12/h7-8,10,12H,1-6,9H2,(H,18,20)(H,19,21)	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant mPGES-1 using PGH2 as substrate incubated 20 mins prior to substrate addition measured after 30 secs by EIA				Bioorg Med Chem Lett 23: 907-11 (2013) Article DOI: 10.1016/j.bmcl.2012.10.040 BindingDB Entry DOI: 10.7270/Q2Z3210H
					More data for this Ligand-Target Pair