Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 514.4 BDBM201359

Wt: 514.4 BDBM50579514

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 (Homo sapiens (Human))	BDBM201359 (US9187424, 123) Show SMILES CNC(=O)C1=C(CC(NC1=O)(c1ccc(OCCCC(F)(F)F)cc1)C(F)(F)F)c1ccc(C)cc1 |t:4| Show InChI InChI=1S/C25H24F6N2O3/c1-15-4-6-16(7-5-15)19-14-23(25(29,30)31,33-22(35)20(19)21(34)32-2)17-8-10-18(11-9-17)36-13-3-12-24(26,27)28/h4-11H,3,12-14H2,1-2H3,(H,32,34)(H,33,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	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))	BDBM50579514 (CHEMBL4863703) Show SMILES CNC(=O)C1=C(C[C@](NC1=O)(c1ccc(OCCCC(F)(F)F)cc1)C(F)(F)F)c1ccc(C)cc1 |r,t:4| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.20	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 (Mus musculus)	BDBM50579514 (CHEMBL4863703) Show SMILES CNC(=O)C1=C(C[C@](NC1=O)(c1ccc(OCCCC(F)(F)F)cc1)C(F)(F)F)c1ccc(C)cc1 |r,t:4| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	270	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))	BDBM201359 (US9187424, 123) Show SMILES CNC(=O)C1=C(CC(NC1=O)(c1ccc(OCCCC(F)(F)F)cc1)C(F)(F)F)c1ccc(C)cc1 |t:4| Show InChI InChI=1S/C25H24F6N2O3/c1-15-4-6-16(7-5-15)19-14-23(25(29,30)31,33-22(35)20(19)21(34)32-2)17-8-10-18(11-9-17)36-13-3-12-24(26,27)28/h4-11H,3,12-14H2,1-2H3,(H,32,34)(H,33,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	743	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