Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with all data for entry = 50048327   

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
Pancreatic triacylglycerol lipase (Homo sapiens (Human))	BDBM50212744 (CHEBI:35020 | TRIBUTYRIN) Show SMILES CCCC(=O)OCC(COC(=O)CCC)OC(=O)CCC Show InChI InChI=1S/C15H26O6/c1-4-7-13(16)19-10-12(21-15(18)9-6-3)11-20-14(17)8-5-2/h12H,4-11H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Similars		<1	n/a	n/a	n/a	n/a	1	n/a	n/a	n/a
TBA					Assay Description Tested for hydrolysis with 0.2 ug/mL of PPL (porcine pancreatic lipase), 1.5 ug/mL of colipase and 4 mM sodium taurodeoxycholatet (NaTDC) at a compou...				Citation and Details BindingDB Entry DOI: 10.7270/Q2B56MWT
					More data for this Ligand-Target Pair
Pancreatic triacylglycerol lipase (Homo sapiens (Human))	BDBM50212746 (CHEMBL119630) Show SMILES [H][C@]12C[C@@H](OC(=O)CCC)[C@@]1([H])CC=C2 |c:14| Show InChI InChI=1S/C11H16O2/c1-2-4-11(12)13-10-7-8-5-3-6-9(8)10/h3,5,8-10H,2,4,6-7H2,1H3/t8-,9-,10+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		220	n/a	n/a	n/a	n/a	220	n/a	n/a	n/a
TBA					Assay Description Tested for hydrolysis with 0.5 ug/mL of PPL (porcine pancreatic lipase), 1.5 ug/mL of colipase and 4 mM of sodium taurodeoxycholatet (NaTDC) at the c...				Citation and Details BindingDB Entry DOI: 10.7270/Q2B56MWT
					More data for this Ligand-Target Pair
Pancreatic triacylglycerol lipase (Homo sapiens (Human))	BDBM50212746 (CHEMBL119630) Show SMILES [H][C@]12C[C@@H](OC(=O)CCC)[C@@]1([H])CC=C2 |c:14| Show InChI InChI=1S/C11H16O2/c1-2-4-11(12)13-10-7-8-5-3-6-9(8)10/h3,5,8-10H,2,4,6-7H2,1H3/t8-,9-,10+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		710	n/a	n/a	n/a	n/a	710	n/a	n/a	n/a
TBA					Assay Description Tested for hydrolysis with 1.0 ug/mL of PPL (porcine pancreatic lipase), 2.2 ug/mL of colipase and 4 mM of sodium taurodeoxycholatet (NaTDC) at the c...				Citation and Details BindingDB Entry DOI: 10.7270/Q2B56MWT
					More data for this Ligand-Target Pair
Pancreatic triacylglycerol lipase (Homo sapiens (Human))	BDBM50212744 (CHEBI:35020 | TRIBUTYRIN) Show SMILES CCCC(=O)OCC(COC(=O)CCC)OC(=O)CCC Show InChI InChI=1S/C15H26O6/c1-4-7-13(16)19-10-12(21-15(18)9-6-3)11-20-14(17)8-5-2/h12H,4-11H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Similars		1.10E+3	n/a	n/a	n/a	n/a	1.10E+3	n/a	n/a	n/a
TBA					Assay Description Tested for hydrolysis with 0.2 ug/mL of PPL (porcine pancreatic lipase) at a compound dose of 0.2 g				Citation and Details BindingDB Entry DOI: 10.7270/Q2B56MWT
					More data for this Ligand-Target Pair
Pancreatic triacylglycerol lipase (Homo sapiens (Human))	BDBM50212746 (CHEMBL119630) Show SMILES [H][C@]12C[C@@H](OC(=O)CCC)[C@@]1([H])CC=C2 |c:14| Show InChI InChI=1S/C11H16O2/c1-2-4-11(12)13-10-7-8-5-3-6-9(8)10/h3,5,8-10H,2,4,6-7H2,1H3/t8-,9-,10+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		2.10E+3	n/a	n/a	n/a	n/a	2.10E+3	n/a	n/a	n/a
TBA					Assay Description Tested for hydrolysis with 0.2 ug/mL of PPL (porcine pancreatic lipase) at the compound dose of 0.2 g				Citation and Details BindingDB Entry DOI: 10.7270/Q2B56MWT
					More data for this Ligand-Target Pair
Pancreatic triacylglycerol lipase (Homo sapiens (Human))	BDBM50212746 (CHEMBL119630) Show SMILES [H][C@]12C[C@@H](OC(=O)CCC)[C@@]1([H])CC=C2 |c:14| Show InChI InChI=1S/C11H16O2/c1-2-4-11(12)13-10-7-8-5-3-6-9(8)10/h3,5,8-10H,2,4,6-7H2,1H3/t8-,9-,10+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		5.70E+3	n/a	n/a	n/a	n/a	5.70E+3	n/a	n/a	n/a
TBA					Assay Description Tested for hydrolysis with 1.0 ug/mL of PPL (porcine pancreatic lipase)at the compound dose of 0.2 g				Citation and Details BindingDB Entry DOI: 10.7270/Q2B56MWT
					More data for this Ligand-Target Pair