Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Diacylglycerol O-acyltransferase 1' and Ligand = 'BDBM113713'   

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))	BDBM113713 (US8637507, C-70 isomer A | US8637507, C-71 isomer ...) Show SMILES CCC1CN(C(=O)Nc2ccccc2)c2ccc(cc2O1)-c1ccc(OC2CCC(CC2)C(O)=O)nc1 |(-9.34,.77,;-8,1.54,;-6.67,.77,;-6.67,-.77,;-5.33,-1.54,;-5.33,-3.08,;-4,-3.85,;-6.67,-3.85,;-8,-3.08,;-8,-1.54,;-9.34,-.77,;-10.67,-1.54,;-10.67,-3.08,;-9.34,-3.85,;-4,-.77,;-2.67,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.33,1.54,;,1.54,;1.33,.77,;2.67,1.54,;2.67,3.08,;4,3.85,;5.33,3.08,;5.33,1.54,;6.67,.77,;8,1.54,;8,3.08,;6.67,3.85,;9.34,.77,;10.67,1.54,;9.34,-.77,;1.33,3.85,;,3.08,)| Show InChI InChI=1S/C29H31N3O5/c1-2-23-18-32(29(35)31-22-6-4-3-5-7-22)25-14-10-20(16-26(25)36-23)21-11-15-27(30-17-21)37-24-12-8-19(9-13-24)28(33)34/h3-7,10-11,14-17,19,23-24H,2,8-9,12-13,18H2,1H3,(H,31,35)(H,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The in vitro assay to identify DGAT1 inhibitors uses human DGAT1 enzyme expressed in Sf9 insect cells prepared as microsomes. The reaction was initia...				US Patent US8637507 (2014) BindingDB Entry DOI: 10.7270/Q2697276
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM113713 (US8637507, C-70 isomer A | US8637507, C-71 isomer ...) Show SMILES CCC1CN(C(=O)Nc2ccccc2)c2ccc(cc2O1)-c1ccc(OC2CCC(CC2)C(O)=O)nc1 |(-9.34,.77,;-8,1.54,;-6.67,.77,;-6.67,-.77,;-5.33,-1.54,;-5.33,-3.08,;-4,-3.85,;-6.67,-3.85,;-8,-3.08,;-8,-1.54,;-9.34,-.77,;-10.67,-1.54,;-10.67,-3.08,;-9.34,-3.85,;-4,-.77,;-2.67,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.33,1.54,;,1.54,;1.33,.77,;2.67,1.54,;2.67,3.08,;4,3.85,;5.33,3.08,;5.33,1.54,;6.67,.77,;8,1.54,;8,3.08,;6.67,3.85,;9.34,.77,;10.67,1.54,;9.34,-.77,;1.33,3.85,;,3.08,)| Show InChI InChI=1S/C29H31N3O5/c1-2-23-18-32(29(35)31-22-6-4-3-5-7-22)25-14-10-20(16-26(25)36-23)21-11-15-27(30-17-21)37-24-12-8-19(9-13-24)28(33)34/h3-7,10-11,14-17,19,23-24H,2,8-9,12-13,18H2,1H3,(H,31,35)(H,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The in vitro assay to identify DGAT1 inhibitors uses human DGAT1 enzyme expressed in Sf9 insect cells prepared as microsomes. The reaction was initia...				US Patent US8637507 (2014) BindingDB Entry DOI: 10.7270/Q2697276
					More data for this Ligand-Target Pair