Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 552.3 BDBM201315

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 4 hits in this display   

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 (Mus musculus)	BDBM201315 (US9187424, 79) Show SMILES FC(F)(F)CCCOc1ccc(cc1)C1(CC(=C(C#N)C(=O)N1)c1ccc(OC(F)(F)F)cc1)C(F)(F)F |t:17| Show InChI InChI=1S/C24H17F9N2O3/c25-22(26,27)10-1-11-37-16-8-4-15(5-9-16)21(23(28,29)30)12-18(19(13-34)20(36)35-21)14-2-6-17(7-3-14)38-24(31,32)33/h2-9H,1,10-12H2,(H,35,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	38	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))	BDBM201315 (US9187424, 79) Show SMILES FC(F)(F)CCCOc1ccc(cc1)C1(CC(=C(C#N)C(=O)N1)c1ccc(OC(F)(F)F)cc1)C(F)(F)F |t:17| Show InChI InChI=1S/C24H17F9N2O3/c25-22(26,27)10-1-11-37-16-8-4-15(5-9-16)21(23(28,29)30)12-18(19(13-34)20(36)35-21)14-2-6-17(7-3-14)38-24(31,32)33/h2-9H,1,10-12H2,(H,35,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	45	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))	BDBM201315 (US9187424, 79) Show SMILES FC(F)(F)CCCOc1ccc(cc1)C1(CC(=C(C#N)C(=O)N1)c1ccc(OC(F)(F)F)cc1)C(F)(F)F |t:17| Show InChI InChI=1S/C24H17F9N2O3/c25-22(26,27)10-1-11-37-16-8-4-15(5-9-16)21(23(28,29)30)12-18(19(13-34)20(36)35-21)14-2-6-17(7-3-14)38-24(31,32)33/h2-9H,1,10-12H2,(H,35,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	45	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))	BDBM201315 (US9187424, 79) Show SMILES FC(F)(F)CCCOc1ccc(cc1)C1(CC(=C(C#N)C(=O)N1)c1ccc(OC(F)(F)F)cc1)C(F)(F)F |t:17| Show InChI InChI=1S/C24H17F9N2O3/c25-22(26,27)10-1-11-37-16-8-4-15(5-9-16)21(23(28,29)30)12-18(19(13-34)20(36)35-21)14-2-6-17(7-3-14)38-24(31,32)33/h2-9H,1,10-12H2,(H,35,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.86E+3	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