Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 437.5 BDBM50009393

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))	BDBM50009393 (CHEMBL3233874) Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc2nc(Nc3ccccc3)ncc2c1 |r,wU:7.10,wD:4.3,(43.43,-15.9,;43.42,-14.37,;44.75,-13.58,;42.08,-13.61,;40.75,-14.39,;39.41,-13.63,;38.08,-14.41,;38.1,-15.94,;39.44,-16.7,;40.76,-15.93,;36.77,-16.72,;36.78,-18.27,;35.46,-19.05,;34.12,-18.28,;34.1,-16.75,;35.42,-15.97,;32.79,-19.07,;32.81,-20.6,;31.49,-21.38,;30.15,-20.63,;28.82,-21.43,;27.47,-20.69,;26.15,-21.49,;24.8,-20.75,;24.77,-19.21,;23.42,-18.47,;22.11,-19.27,;22.15,-20.82,;23.5,-21.55,;27.43,-19.13,;28.76,-18.33,;30.12,-19.08,;31.45,-18.3,)| Show InChI InChI=1S/C28H27N3O2/c32-27(33)16-19-6-8-20(9-7-19)21-10-12-22(13-11-21)23-14-15-26-24(17-23)18-29-28(31-26)30-25-4-2-1-3-5-25/h1-5,10-15,17-20H,6-9,16H2,(H,32,33)(H,29,30,31)/t19-,20-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.55E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human DGAT1				Bioorg Med Chem Lett 24: 1790-4 (2014) Article DOI: 10.1016/j.bmcl.2014.02.028 BindingDB Entry DOI: 10.7270/Q2DR2X19
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Mus musculus (mouse))	BDBM50009393 (CHEMBL3233874) Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc2nc(Nc3ccccc3)ncc2c1 |r,wU:7.10,wD:4.3,(43.43,-15.9,;43.42,-14.37,;44.75,-13.58,;42.08,-13.61,;40.75,-14.39,;39.41,-13.63,;38.08,-14.41,;38.1,-15.94,;39.44,-16.7,;40.76,-15.93,;36.77,-16.72,;36.78,-18.27,;35.46,-19.05,;34.12,-18.28,;34.1,-16.75,;35.42,-15.97,;32.79,-19.07,;32.81,-20.6,;31.49,-21.38,;30.15,-20.63,;28.82,-21.43,;27.47,-20.69,;26.15,-21.49,;24.8,-20.75,;24.77,-19.21,;23.42,-18.47,;22.11,-19.27,;22.15,-20.82,;23.5,-21.55,;27.43,-19.13,;28.76,-18.33,;30.12,-19.08,;31.45,-18.3,)| Show InChI InChI=1S/C28H27N3O2/c32-27(33)16-19-6-8-20(9-7-19)21-10-12-22(13-11-21)23-14-15-26-24(17-23)18-29-28(31-26)30-25-4-2-1-3-5-25/h1-5,10-15,17-20H,6-9,16H2,(H,32,33)(H,29,30,31)/t19-,20-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of mouse DGAT1				Bioorg Med Chem Lett 24: 1790-4 (2014) Article DOI: 10.1016/j.bmcl.2014.02.028 BindingDB Entry DOI: 10.7270/Q2DR2X19
					More data for this Ligand-Target Pair