Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '1,3-beta-D-glucan synthase catalytic subunit' and Ligand = 'BDBM50485368'   

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
1,3-beta-D-glucan synthase catalytic subunit (Candida albicans)	BDBM50485368 (CHEMBL2059481) Show SMILES Fc1cccc(CS(=O)(=O)N2CCN(CC2)c2cnn(-c3cc(F)cc(F)c3)c(=O)c2OC2CCCC2)c1 Show InChI InChI=1S/C26H27F3N4O4S/c27-19-5-3-4-18(12-19)17-38(35,36)32-10-8-31(9-11-32)24-16-30-33(22-14-20(28)13-21(29)15-22)26(34)25(24)37-23-6-1-2-7-23/h3-5,12-16,23H,1-2,6-11,17H2	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	72.9	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of 1,3-beta-D-glucan synthase in Candida albicans BWP17 membranes				Bioorg Med Chem Lett 22: 5268-71 (2012) Article DOI: 10.1016/j.bmcl.2012.06.091 BindingDB Entry DOI: 10.7270/Q2MC92WW
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