Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Diacylglycerol O-acyltransferase 1' and Ligand = 'BDBM50399689'   

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))	BDBM50399689 (CHEMBL2178939) Show SMILES Cc1nc(C)c(nc1C(N)=O)-c1ccc(cc1)[C@H]1CC[C@H](CC(=O)NS(C)(=O)=O)CC1 |r,wU:17.18,wD:20.22,(3.84,-47.51,;5.17,-46.74,;6.52,-47.51,;7.84,-46.74,;9.18,-47.51,;7.84,-45.21,;6.51,-44.43,;5.18,-45.2,;3.84,-44.43,;2.51,-45.2,;3.84,-42.89,;9.17,-44.44,;10.51,-45.21,;11.84,-44.44,;11.84,-42.89,;10.5,-42.12,;9.17,-42.89,;13.17,-42.12,;13.16,-40.58,;14.5,-39.81,;15.84,-40.58,;17.17,-39.81,;18.51,-40.58,;18.51,-42.12,;19.84,-39.81,;21.17,-40.58,;22.51,-39.81,;20.77,-42.06,;21.93,-41.91,;15.84,-42.12,;14.51,-42.89,)| Show InChI InChI=1S/C22H28N4O4S/c1-13-20(25-21(22(23)28)14(2)24-13)18-10-8-17(9-11-18)16-6-4-15(5-7-16)12-19(27)26-31(3,29)30/h8-11,15-16H,4-7,12H2,1-3H3,(H2,23,28)(H,26,27)/t15-,16-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant DGAT1 expressed in Sf9 cells by liquid scintillography				J Med Chem 55: 10610-29 (2012) Article DOI: 10.1021/jm301296t BindingDB Entry DOI: 10.7270/Q2XD12T3
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