BDBM50425326 CHEMBL2315865

SMILES: OC(=O)C1CCCC1NC(=O)C1CCN(CC1)c1nc2cc(Cl)ccc2o1

InChI Key: InChIKey=OPOPYFWSNGVSOW-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 = 50425326   

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))	BDBM50425326 (CHEMBL2315865) Show SMILES OC(=O)C1CCCC1NC(=O)C1CCN(CC1)c1nc2cc(Cl)ccc2o1 Show InChI InChI=1S/C19H22ClN3O4/c20-12-4-5-16-15(10-12)22-19(27-16)23-8-6-11(7-9-23)17(24)21-14-3-1-2-13(14)18(25)26/h4-5,10-11,13-14H,1-3,6-9H2,(H,21,24)(H,25,26)	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	7.18E+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