Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 471.5 BDBM50362676

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

Found 2 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
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50362676 (CHEMBL1939621) Show SMILES CN(C)C(=O)C(C)(C)COc1nnc(-c2ccc(NC(=O)c3ccc4ccccc4c3)cc2)n1C Show InChI InChI=1S/C27H29N5O3/c1-27(2,25(34)31(3)4)17-35-26-30-29-23(32(26)5)19-12-14-22(15-13-19)28-24(33)21-11-10-18-8-6-7-9-20(18)16-21/h6-16H,17H2,1-5H3,(H,28,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Prosidion Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminus FLAG-tagged DGAT1 expressed in baculovirus infected insect Sf9 cells assessed as triglyceride synthesis				Bioorg Med Chem Lett 22: 824-8 (2012) Article DOI: 10.1016/j.bmcl.2011.12.050 BindingDB Entry DOI: 10.7270/Q2R211V4
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Mus musculus (mouse))	BDBM50362676 (CHEMBL1939621) Show SMILES CN(C)C(=O)C(C)(C)COc1nnc(-c2ccc(NC(=O)c3ccc4ccccc4c3)cc2)n1C Show InChI InChI=1S/C27H29N5O3/c1-27(2,25(34)31(3)4)17-35-26-30-29-23(32(26)5)19-12-14-22(15-13-19)28-24(33)21-11-10-18-8-6-7-9-20(18)16-21/h6-16H,17H2,1-5H3,(H,28,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	n/a
Prosidion Ltd Curated by ChEMBL					Assay Description Inhibition of DGAT1-mediated triglyceride synthesis n mouse 3T3L1 cells				Bioorg Med Chem Lett 22: 824-8 (2012) Article DOI: 10.1016/j.bmcl.2011.12.050 BindingDB Entry DOI: 10.7270/Q2R211V4
					More data for this Ligand-Target Pair