Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Chondroitin sulfate N-acetylgalactosaminyltransferase 1' and Ligand = 'BDBM50386137'   

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
Chondroitin sulfate N-acetylgalactosaminyltransferase 1 (Homo sapiens (Human))	BDBM50386137 (CHEMBL2042339) Show SMILES CC(C)[C@H](NC(=O)c1cc(no1)-c1ccc(NC(=O)Nc2ccccc2C(F)(F)F)cc1)C(O)=O |r| Show InChI InChI=1S/C23H21F3N4O5/c1-12(2)19(21(32)33)29-20(31)18-11-17(30-35-18)13-7-9-14(10-8-13)27-22(34)28-16-6-4-3-5-15(16)23(24,25)26/h3-12,19H,1-2H3,(H,29,31)(H,32,33)(H2,27,28,34)/t19-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Healthcare Limited Curated by ChEMBL					Assay Description Inhibition of human DGAT1 assessed as conversion of [14C]-oleoyl-CoA to [14C]-triglyceride after 10 mins by scintillation counting				Eur J Med Chem 54: 324-42 (2012) Article DOI: 10.1016/j.ejmech.2012.05.016 BindingDB Entry DOI: 10.7270/Q25B03HK
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