BDBM50425322 CHEMBL2315859

SMILES: OC[C@H]1CCC[C@H]1NC(=O)C1CCN(CC1)c1nc2cc(Cl)ccc2o1

InChI Key: InChIKey=QSSYANMMEQLBHR-UKRRQHHQSA-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 = 50425322   

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))	BDBM50425322 (CHEMBL2315859) Show SMILES OC[C@H]1CCC[C@H]1NC(=O)C1CCN(CC1)c1nc2cc(Cl)ccc2o1 |r| Show InChI InChI=1S/C19H24ClN3O3/c20-14-4-5-17-16(10-14)22-19(26-17)23-8-6-12(7-9-23)18(25)21-15-3-1-2-13(15)11-24/h4-5,10,12-13,15,24H,1-3,6-9,11H2,(H,21,25)/t13-,15-/m1/s1	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	785	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