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 = 'BDBM50483464'   

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)	BDBM50483464 (CHEMBL1684738) Show SMILES O=c1c(C2CCCCC2)c(cnn1-c1ccccc1)N1CCN(CC1)S(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C27H32N4O3S/c32-27-26(23-12-6-2-7-13-23)25(20-28-31(27)24-14-8-3-9-15-24)29-16-18-30(19-17-29)35(33,34)21-22-10-4-1-5-11-22/h1,3-5,8-11,14-15,20,23H,2,6-7,12-13,16-19,21H2	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.46E+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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