Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Phospholipase B' and Ligand = 'BDBM50180987'   

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 B (Cryptococcus neoformans)	BDBM50180987 (1,12-Bis(triisopentyl ammonium)dodecane dichloride...) Show SMILES CC(C)CC[N+](CCCCCCCCCCCC[N+](CCC(C)C)(CCC(C)C)CCC(C)C)(CCC(C)C)CCC(C)C Show InChI InChI=1S/C42H90N2/c1-37(2)23-31-43(32-24-38(3)4,33-25-39(5)6)29-21-19-17-15-13-14-16-18-20-22-30-44(34-26-40(7)8,35-27-41(9)10)36-28-42(11)12/h37-42H,13-36H2,1-12H3/q+2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Inhibition of Cryptococccus neoformans H99 PLB1activity				J Med Chem 49: 811-6 (2006) Article DOI: 10.1021/jm0508843 BindingDB Entry DOI: 10.7270/Q2M61JT1
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