Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 521.5 BDBM50437757

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

Found 1 hit 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))	BDBM50437757 (CHEMBL2409563) Show SMILES OC(=O)CC1CCC(CC1)c1ccc(cc1)-c1nc2ccc(NC(=O)c3noc(n3)-c3ccccc3)cc2[nH]1 |(25.73,-26.26,;24.19,-26.27,;23.41,-24.95,;23.43,-27.61,;21.89,-27.63,;21.13,-28.97,;19.6,-28.98,;18.81,-27.65,;19.56,-26.31,;21.11,-26.3,;17.28,-27.68,;16.52,-29.02,;14.98,-29.04,;14.2,-27.71,;14.95,-26.37,;16.48,-26.35,;12.66,-27.73,;11.77,-28.98,;10.3,-28.52,;8.97,-29.31,;7.63,-28.54,;7.63,-27,;6.29,-26.24,;4.96,-27.01,;4.97,-28.55,;3.63,-26.25,;3.46,-24.72,;1.95,-24.41,;1.19,-25.75,;2.23,-26.89,;-.35,-25.92,;-1.26,-24.67,;-2.79,-24.84,;-3.4,-26.25,;-2.49,-27.5,;-.96,-27.32,;8.95,-26.22,;10.29,-26.98,;11.75,-26.5,)| Show InChI InChI=1S/C30H27N5O4/c36-26(37)16-18-6-8-19(9-7-18)20-10-12-21(13-11-20)27-32-24-15-14-23(17-25(24)33-27)31-29(38)28-34-30(39-35-28)22-4-2-1-3-5-22/h1-5,10-15,17-19H,6-9,16H2,(H,31,38)(H,32,33)(H,36,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human DGAT-1 expressed in Hep3B cell lysate using didecanoyl glycerol and [14C]decanoyl-CoA as substrate after 60 mins by l...				Bioorg Med Chem Lett 23: 4713-8 (2013) Article DOI: 10.1016/j.bmcl.2013.05.081 BindingDB Entry DOI: 10.7270/Q21J9C63
					More data for this Ligand-Target Pair