BDBM50425330 CHEMBL2315870

SMILES: Clc1ccc2oc(nc2c1)N1CCC(CC1)C(=O)NC1CCCCC1

InChI Key: InChIKey=XSGKNRRFRFSUAK-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50425330   

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))	BDBM50425330 (CHEMBL2315870) Show SMILES Clc1ccc2oc(nc2c1)N1CCC(CC1)C(=O)NC1CCCCC1 Show InChI InChI=1S/C19H24ClN3O2/c20-14-6-7-17-16(12-14)22-19(25-17)23-10-8-13(9-11-23)18(24)21-15-4-2-1-3-5-15/h6-7,12-13,15H,1-5,8-11H2,(H,21,24)	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	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human mPGES1 by ELISA				Bioorg Med Chem Lett 23: 1120-6 (2013) Article DOI: 10.1016/j.bmcl.2012.11.107 BindingDB Entry DOI: 10.7270/Q26W9CDS
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50425330 (CHEMBL2315870) Show SMILES Clc1ccc2oc(nc2c1)N1CCC(CC1)C(=O)NC1CCCCC1 Show InChI InChI=1S/C19H24ClN3O2/c20-14-6-7-17-16(12-14)22-19(25-17)23-10-8-13(9-11-23)18(24)21-15-4-2-1-3-5-15/h6-7,12-13,15H,1-5,8-11H2,(H,21,24)	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	1.68E+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