Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 471.5 BDBM50090510

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

Found 5 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))	BDBM50090510 (CHEMBL3581716) Show SMILES CC(=O)Nc1cc(cc2CCN(CCc3ccccc3)c12)S(=O)(=O)Nc1ccc(F)cc1F Show InChI InChI=1S/C24H23F2N3O3S/c1-16(30)27-23-15-20(33(31,32)28-22-8-7-19(25)14-21(22)26)13-18-10-12-29(24(18)23)11-9-17-5-3-2-4-6-17/h2-8,13-15,28H,9-12H2,1H3,(H,27,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of full length human MGAT2 transfected in FreeStyle293 cells assessed as dioleoylglycerol by RapidFire/MS assay				J Med Chem 58: 3892-909 (2015) Article DOI: 10.1021/acs.jmedchem.5b00178 BindingDB Entry DOI: 10.7270/Q2XK8H94
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 2 (Homo sapiens (Human))	BDBM50090510 (CHEMBL3581716) Show SMILES CC(=O)Nc1cc(cc2CCN(CCc3ccccc3)c12)S(=O)(=O)Nc1ccc(F)cc1F Show InChI InChI=1S/C24H23F2N3O3S/c1-16(30)27-23-15-20(33(31,32)28-22-8-7-19(25)14-21(22)26)13-18-10-12-29(24(18)23)11-9-17-5-3-2-4-6-17/h2-8,13-15,28H,9-12H2,1H3,(H,27,30)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of full length human DGAT2 transfected in Sf-21 cells using [1-14C]oleoyl-CoA assessed as incorporation of radioactivity into lip...				J Med Chem 58: 3892-909 (2015) Article DOI: 10.1021/acs.jmedchem.5b00178 BindingDB Entry DOI: 10.7270/Q2XK8H94
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50090510 (CHEMBL3581716) Show SMILES CC(=O)Nc1cc(cc2CCN(CCc3ccccc3)c12)S(=O)(=O)Nc1ccc(F)cc1F Show InChI InChI=1S/C24H23F2N3O3S/c1-16(30)27-23-15-20(33(31,32)28-22-8-7-19(25)14-21(22)26)13-18-10-12-29(24(18)23)11-9-17-5-3-2-4-6-17/h2-8,13-15,28H,9-12H2,1H3,(H,27,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of full length human DGAT1 transfected in Sf-21 cells using [1-14C]oleoyl-CoA assessed as incorporation of radioactivity into lip...				J Med Chem 58: 3892-909 (2015) Article DOI: 10.1021/acs.jmedchem.5b00178 BindingDB Entry DOI: 10.7270/Q2XK8H94
					More data for this Ligand-Target Pair
Beta-1,4-mannosyl-glycoprotein 4-beta-N-acetylglucosaminyltransferase (Homo sapiens (Human))	BDBM50090510 (CHEMBL3581716) Show SMILES CC(=O)Nc1cc(cc2CCN(CCc3ccccc3)c12)S(=O)(=O)Nc1ccc(F)cc1F Show InChI InChI=1S/C24H23F2N3O3S/c1-16(30)27-23-15-20(33(31,32)28-22-8-7-19(25)14-21(22)26)13-18-10-12-29(24(18)23)11-9-17-5-3-2-4-6-17/h2-8,13-15,28H,9-12H2,1H3,(H,27,30)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of full length human MGAT3 transfected in Sf-21 cells using [1-14C]oleoyl-CoA assessed as incorporation of radioactivity into lip...				J Med Chem 58: 3892-909 (2015) Article DOI: 10.1021/acs.jmedchem.5b00178 BindingDB Entry DOI: 10.7270/Q2XK8H94
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50090510 (CHEMBL3581716) Show SMILES CC(=O)Nc1cc(cc2CCN(CCc3ccccc3)c12)S(=O)(=O)Nc1ccc(F)cc1F Show InChI InChI=1S/C24H23F2N3O3S/c1-16(30)27-23-15-20(33(31,32)28-22-8-7-19(25)14-21(22)26)13-18-10-12-29(24(18)23)11-9-17-5-3-2-4-6-17/h2-8,13-15,28H,9-12H2,1H3,(H,27,30)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of full length human ACAT1 transfected in Sf-21 cells using [1-14C]oleoyl-CoA assessed as incorporation of radioactivity into lip...				J Med Chem 58: 3892-909 (2015) Article DOI: 10.1021/acs.jmedchem.5b00178 BindingDB Entry DOI: 10.7270/Q2XK8H94
					More data for this Ligand-Target Pair