Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 598.8 BDBM50316463

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
Phospholipase A2, membrane associated (Homo sapiens (Human))	BDBM50316463 (1-[4-(4,5-Dihydro-1,2,4-(4H)-5-oxo-oxadiazol-3-ylm...) Show SMILES CCCCCCCCCCCCCCCCCCNC(=O)N1CCN(CC1)C(=O)Nc1ccc(Cc2nc(=O)o[nH]2)cc1 Show InChI InChI=1S/C33H54N6O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-34-31(40)38-23-25-39(26-24-38)32(41)35-29-20-18-28(19-21-29)27-30-36-33(42)43-37-30/h18-21H,2-17,22-27H2,1H3,(H,34,40)(H,35,41)(H,36,37,42)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Paris Diderot Curated by ChEMBL					Assay Description Inhibition of human recombinant group 2A phospholipase A2 by fluorimetric assay				Bioorg Med Chem 18: 3588-600 (2010) Article DOI: 10.1016/j.bmc.2010.03.049 BindingDB Entry DOI: 10.7270/Q2ZG6SD9
					More data for this Ligand-Target Pair
Phospholipase A2, major isoenzyme (Sus scrofa (pig))	BDBM50316463 (1-[4-(4,5-Dihydro-1,2,4-(4H)-5-oxo-oxadiazol-3-ylm...) Show SMILES CCCCCCCCCCCCCCCCCCNC(=O)N1CCN(CC1)C(=O)Nc1ccc(Cc2nc(=O)o[nH]2)cc1 Show InChI InChI=1S/C33H54N6O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-34-31(40)38-23-25-39(26-24-38)32(41)35-29-20-18-28(19-21-29)27-30-36-33(42)43-37-30/h18-21H,2-17,22-27H2,1H3,(H,34,40)(H,35,41)(H,36,37,42)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.58E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Paris Diderot Curated by ChEMBL					Assay Description Inhibition of porcine group 1B phospholipase A2 by fluorimetric assay				Bioorg Med Chem 18: 3588-600 (2010) Article DOI: 10.1016/j.bmc.2010.03.049 BindingDB Entry DOI: 10.7270/Q2ZG6SD9
					More data for this Ligand-Target Pair