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 = 'BDBM50518061'   

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))	BDBM50518061 (CHEMBL4564881) Show SMILES CCc1ccc(s1)-c1cc([nH]c(=O)c1-c1nn[nH]n1)-c1ccc(OCCCCCC(F)(F)F)cc1C(F)(F)F Show InChI InChI=1S/C25H23F6N5O2S/c1-2-15-7-9-20(39-15)17-13-19(32-23(37)21(17)22-33-35-36-34-22)16-8-6-14(12-18(16)25(29,30)31)38-11-5-3-4-10-24(26,27)28/h6-9,12-13H,2-5,10-11H2,1H3,(H,32,37)(H,33,34,35,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.300	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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