Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 405.9 BDBM50426962

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50426962 (CHEMBL2325085) Show SMILES Cc1cc2oc(nc2cc1Cl)N1CCC(CC1)C(=O)N[C@H]1CC[C@](C)(O)CC1 |r,wU:23.26,20.22,wD:23.27,(27.31,-32.6,;28.65,-31.83,;29.98,-32.6,;31.32,-31.83,;32.79,-32.31,;33.7,-31.05,;32.79,-29.8,;31.31,-30.28,;29.98,-29.51,;28.65,-30.28,;27.32,-29.51,;35.24,-31.05,;36,-32.39,;37.53,-32.4,;38.31,-31.07,;37.54,-29.73,;36,-29.73,;39.85,-31.07,;40.62,-29.74,;40.61,-32.41,;42.15,-32.42,;42.92,-31.09,;44.47,-31.11,;45.23,-32.45,;46.56,-31.67,;46.57,-33.21,;44.45,-33.77,;42.91,-33.77,)| Show InChI InChI=1S/C21H28ClN3O3/c1-13-11-18-17(12-16(13)22)24-20(28-18)25-9-5-14(6-10-25)19(26)23-15-3-7-21(2,27)8-4-15/h11-12,14-15,27H,3-10H2,1-2H3,(H,23,26)/t15-,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	610	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))	BDBM50426962 (CHEMBL2325085) Show SMILES Cc1cc2oc(nc2cc1Cl)N1CCC(CC1)C(=O)N[C@H]1CC[C@](C)(O)CC1 |r,wU:23.26,20.22,wD:23.27,(27.31,-32.6,;28.65,-31.83,;29.98,-32.6,;31.32,-31.83,;32.79,-32.31,;33.7,-31.05,;32.79,-29.8,;31.31,-30.28,;29.98,-29.51,;28.65,-30.28,;27.32,-29.51,;35.24,-31.05,;36,-32.39,;37.53,-32.4,;38.31,-31.07,;37.54,-29.73,;36,-29.73,;39.85,-31.07,;40.62,-29.74,;40.61,-32.41,;42.15,-32.42,;42.92,-31.09,;44.47,-31.11,;45.23,-32.45,;46.56,-31.67,;46.57,-33.21,;44.45,-33.77,;42.91,-33.77,)| Show InChI InChI=1S/C21H28ClN3O3/c1-13-11-18-17(12-16(13)22)24-20(28-18)25-9-5-14(6-10-25)19(26)23-15-3-7-21(2,27)8-4-15/h11-12,14-15,27H,3-10H2,1-2H3,(H,23,26)/t15-,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	7.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of mPGES1 mediated PGE2 production in LPS-stimulated human whole blood 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