Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytosolic phospholipase A2' and Ligand = 'BDBM50085992'   

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
Cytosolic phospholipase A2 (Homo sapiens (Human))	BDBM50085992 (CHEMBL268905 | N-[(2S,4R)-1-(2-Benzoyl-benzoyl)-4-...) Show SMILES OC1=NC(=O)C(S1)=Cc1ccc(cc1)C(=O)NC[C@@H]1C[C@H](CN1C(=O)c1ccccc1C(=O)c1ccccc1)OCc1ccccc1-c1ccccc1 |w:7.8,t:1| Show InChI InChI=1S/C43H35N3O6S/c47-39(30-13-5-2-6-14-30)36-17-9-10-18-37(36)42(50)46-26-34(52-27-32-15-7-8-16-35(32)29-11-3-1-4-12-29)24-33(46)25-44-40(48)31-21-19-28(20-22-31)23-38-41(49)45-43(51)53-38/h1-23,33-34H,24-27H2,(H,44,48)(H,45,49,51)/t33-,34+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	165	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of Human cPLA2 alpha using Enzyme assay(PC/DOG assay)				J Med Chem 43: 1041-4 (2000) BindingDB Entry DOI: 10.7270/Q27P8XMZ
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