Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Phospholipase A2' and Ligand = 'BDBM50053096'   

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 (Homo sapiens (Human))	BDBM50053096 (CHEMBL123774 | [1-Aminooxalyl-3-(4-butyl-benzyl)-2...) Show SMILES CCCCc1ccc(Cc2c(CC)c(C(=O)C(N)=O)c3c(OCC(O)=O)cccn23)cc1 Show InChI InChI=1S/C25H28N2O5/c1-3-5-7-16-9-11-17(12-10-16)14-19-18(4-2)22(24(30)25(26)31)23-20(32-15-21(28)29)8-6-13-27(19)23/h6,8-13H,3-5,7,14-15H2,1-2H3,(H2,26,31)(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human secretory phospholipase A2 (s-PLA2) by phosphatidylcholine/deoxycholate assay (PC/DOC).				J Med Chem 39: 3636-58 (1996) Article DOI: 10.1021/jm960395q BindingDB Entry DOI: 10.7270/Q2NC609M
					More data for this Ligand-Target Pair
Phospholipase A2 (Homo sapiens (Human))	BDBM50053096 (CHEMBL123774 | [1-Aminooxalyl-3-(4-butyl-benzyl)-2...) Show SMILES CCCCc1ccc(Cc2c(CC)c(C(=O)C(N)=O)c3c(OCC(O)=O)cccn23)cc1 Show InChI InChI=1S/C25H28N2O5/c1-3-5-7-16-9-11-17(12-10-16)14-19-18(4-2)22(24(30)25(26)31)23-20(32-15-21(28)29)8-6-13-27(19)23/h6,8-13H,3-5,7,14-15H2,1-2H3,(H2,26,31)(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human secretory phospholipase A2 (sPLA2), chromogenic screening assay.				J Med Chem 39: 3636-58 (1996) Article DOI: 10.1021/jm960395q BindingDB Entry DOI: 10.7270/Q2NC609M
					More data for this Ligand-Target Pair