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 = 'BDBM50483447'   

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)	BDBM50483447 (CHEMBL1684898) Show SMILES CC(C)S(=O)(=O)N1CCN(CC1)c1cnn(-c2cc(F)cc(F)c2)c(=O)c1OC1CCC(F)(F)C1 Show InChI InChI=1S/C22H26F4N4O4S/c1-14(2)35(32,33)29-7-5-28(6-8-29)19-13-27-30(17-10-15(23)9-16(24)11-17)21(31)20(19)34-18-3-4-22(25,26)12-18/h9-11,13-14,18H,3-8,12H2,1-2H3	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.15E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Candida albicans BWP17 1,3-beta-D-glucan synthase				Bioorg Med Chem Lett 21: 1819-22 (2011) Article DOI: 10.1016/j.bmcl.2011.01.058 BindingDB Entry DOI: 10.7270/Q2P55RCG
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