Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase' and Ligand = 'BDBM50518064'   

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
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase (Homo sapiens (Human))	BDBM50518064 (CHEMBL4463750) Show SMILES FC(F)(F)c1ccc(OCCCCCNCC(=O)N2CCc3nc(SC4CCC4)n(-c4ccccc4)c(=O)c3C2)cc1 Show InChI InChI=1S/C31H35F3N4O3S/c32-31(33,34)22-12-14-24(15-13-22)41-19-6-2-5-17-35-20-28(39)37-18-16-27-26(21-37)29(40)38(23-8-3-1-4-9-23)30(36-27)42-25-10-7-11-25/h1,3-4,8-9,12-15,25,35H,2,5-7,10-11,16-21H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.640	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant human MGAT2				J Med Chem 61: 9879-9888 (2018) Article DOI: 10.1021/acs.jmedchem.8b00864 BindingDB Entry DOI: 10.7270/Q29G5R6X
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