Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase' and Ligand = 'BDBM235217'   

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))	BDBM235217 (US9365558, 40 | US9822074, 40) Show SMILES CCCCCCCc1cnc(s1)[C@@]1(CC(=C(C(=O)NS(=O)(=O)C2CC2)C(=O)N1)c1ccc(C)cc1)C(F)(F)F |r,t:15| Show InChI InChI=1S/C27H32F3N3O4S2/c1-3-4-5-6-7-8-19-16-31-25(38-19)26(27(28,29)30)15-21(18-11-9-17(2)10-12-18)22(23(34)32-26)24(35)33-39(36,37)20-13-14-20/h9-12,16,20H,3-8,13-15H2,1-2H3,(H,32,34)(H,33,35)/t26-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The MGAT enzyme reactions were performed in Corning FALCON® 96-well Polypropylene plates, in a total volume of 60 μL of 50 mM Potassium Phosphat...				US Patent US9822074 (2017) BindingDB Entry DOI: 10.7270/Q2K939TM
					More data for this Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase (Homo sapiens (Human))	BDBM235217 (US9365558, 40 | US9822074, 40) Show SMILES CCCCCCCc1cnc(s1)[C@@]1(CC(=C(C(=O)NS(=O)(=O)C2CC2)C(=O)N1)c1ccc(C)cc1)C(F)(F)F |r,t:15| Show InChI InChI=1S/C27H32F3N3O4S2/c1-3-4-5-6-7-8-19-16-31-25(38-19)26(27(28,29)30)15-21(18-11-9-17(2)10-12-18)22(23(34)32-26)24(35)33-39(36,37)20-13-14-20/h9-12,16,20H,3-8,13-15H2,1-2H3,(H,32,34)(H,33,35)/t26-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.4	65
Bristol-Myers Squibb Company US Patent					Assay Description The MGAT enzyme reactions were performed in Corning FALCON® 96-well Polypropylene plates, in a total volume of 60 μL of 50 mM Potassium Phosph...				US Patent US9365558 (2016) BindingDB Entry DOI: 10.7270/Q2XS5T8B
					More data for this Ligand-Target Pair