BDBM50425337 CHEMBL2315876

SMILES: CSCCNC(=O)C1CCN(CC1)c1nc2cc(Cl)ccc2o1

InChI Key: InChIKey=IHETZMCQHGPOGT-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 = 50425337   

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))	BDBM50425337 (CHEMBL2315876) Show SMILES CSCCNC(=O)C1CCN(CC1)c1nc2cc(Cl)ccc2o1 Show InChI InChI=1S/C16H20ClN3O2S/c1-23-9-6-18-15(21)11-4-7-20(8-5-11)16-19-13-10-12(17)2-3-14(13)22-16/h2-3,10-11H,4-9H2,1H3,(H,18,21)	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	1.20E+3	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