Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase' and Ligand = 'BDBM201301'   

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))	BDBM201301 (US9187424, 65 | US9187424, 77) Show SMILES COc1ccc(cc1)C1=C(C#N)C(=O)NC(C1)(c1ccc(OCCCC(F)(F)F)cc1)C(F)(F)F |c:9| Show InChI InChI=1S/C24H20F6N2O3/c1-34-17-7-3-15(4-8-17)19-13-22(24(28,29)30,32-21(33)20(19)14-31)16-5-9-18(10-6-16)35-12-2-11-23(25,26)27/h3-10H,2,11-13H2,1H3,(H,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant MGAT2 expressed in Sf9 cell membrane using 2-monooleglycerol and [H3]-oleoyl-CoA as substrates incubated for 20 mins ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01356 BindingDB Entry DOI: 10.7270/Q2RF5ZVM
					More data for this Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase (Homo sapiens (Human))	BDBM201301 (US9187424, 65 | US9187424, 77) Show SMILES COc1ccc(cc1)C1=C(C#N)C(=O)NC(C1)(c1ccc(OCCCC(F)(F)F)cc1)C(F)(F)F |c:9| Show InChI InChI=1S/C24H20F6N2O3/c1-34-17-7-3-15(4-8-17)19-13-22(24(28,29)30,32-21(33)20(19)14-31)16-5-9-18(10-6-16)35-12-2-11-23(25,26)27/h3-10H,2,11-13H2,1H3,(H,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.4	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 uL of 50 mM Potassium Phosphate buff...				US Patent US9187424 (2015) BindingDB Entry DOI: 10.7270/Q2FQ9VFG
					More data for this Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase (Mus musculus)	BDBM201301 (US9187424, 65 | US9187424, 77) Show SMILES COc1ccc(cc1)C1=C(C#N)C(=O)NC(C1)(c1ccc(OCCCC(F)(F)F)cc1)C(F)(F)F |c:9| Show InChI InChI=1S/C24H20F6N2O3/c1-34-17-7-3-15(4-8-17)19-13-22(24(28,29)30,32-21(33)20(19)14-31)16-5-9-18(10-6-16)35-12-2-11-23(25,26)27/h3-10H,2,11-13H2,1H3,(H,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of mouse recombinant MGAT2 expressed in Sf9 cell membrane using 2-oleoylglycerol and oleoyl-CoA as substrates incubated for 10 mins by LCM...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01356 BindingDB Entry DOI: 10.7270/Q2RF5ZVM
					More data for this Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase (Homo sapiens (Human))	BDBM201301 (US9187424, 65 | US9187424, 77) Show SMILES COc1ccc(cc1)C1=C(C#N)C(=O)NC(C1)(c1ccc(OCCCC(F)(F)F)cc1)C(F)(F)F |c:9| Show InChI InChI=1S/C24H20F6N2O3/c1-34-17-7-3-15(4-8-17)19-13-22(24(28,29)30,32-21(33)20(19)14-31)16-5-9-18(10-6-16)35-12-2-11-23(25,26)27/h3-10H,2,11-13H2,1H3,(H,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	27	n/a	n/a	n/a	n/a	7.4	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 uL of 50 mM Potassium Phosphate buff...				US Patent US9187424 (2015) BindingDB Entry DOI: 10.7270/Q2FQ9VFG
					More data for this Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase (Homo sapiens (Human))	BDBM201301 (US9187424, 65 | US9187424, 77) Show SMILES COc1ccc(cc1)C1=C(C#N)C(=O)NC(C1)(c1ccc(OCCCC(F)(F)F)cc1)C(F)(F)F |c:9| Show InChI InChI=1S/C24H20F6N2O3/c1-34-17-7-3-15(4-8-17)19-13-22(24(28,29)30,32-21(33)20(19)14-31)16-5-9-18(10-6-16)35-12-2-11-23(25,26)27/h3-10H,2,11-13H2,1H3,(H,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	89	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description MGAT2 enzyme was assayed using membranes isolated from Sf9 cells expressing the recombinant human MGAT2 cDNA with 2-monooleoylglycerol and [3H]-oleoy...				US Patent US9187424 (2015) BindingDB Entry DOI: 10.7270/Q2FQ9VFG
					More data for this Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase (Homo sapiens (Human))	BDBM201301 (US9187424, 65 | US9187424, 77) Show SMILES COc1ccc(cc1)C1=C(C#N)C(=O)NC(C1)(c1ccc(OCCCC(F)(F)F)cc1)C(F)(F)F |c:9| Show InChI InChI=1S/C24H20F6N2O3/c1-34-17-7-3-15(4-8-17)19-13-22(24(28,29)30,32-21(33)20(19)14-31)16-5-9-18(10-6-16)35-12-2-11-23(25,26)27/h3-10H,2,11-13H2,1H3,(H,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	96	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description MGAT2 enzyme was assayed using membranes isolated from Sf9 cells expressing the recombinant human MGAT2 cDNA with 2-monooleoylglycerol and [3H]-oleoy...				US Patent US9187424 (2015) BindingDB Entry DOI: 10.7270/Q2FQ9VFG
					More data for this Ligand-Target Pair