Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with all data for entry = 50042665   

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 (Sus scrofa (Pig))	BDBM24567 ((2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]tridecan-...) Show SMILES CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O |r| Show InChI InChI=1S/C29H53NO5/c1-5-7-9-11-12-13-14-15-16-18-24(34-29(33)26(30-22-31)20-23(3)4)21-27-25(28(32)35-27)19-17-10-8-6-2/h22-27H,5-21H2,1-4H3,(H,30,31)/t24-,25-,26-,27-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Korea Atomic Energy Research Institute Curated by ChEMBL					Assay Description Inhibition of pig pancreatic lipase assessed as hydrolysis of p-nitrophenylbutyrate to p-nitrophenol				Bioorg Med Chem Lett 23: 1099-103 (2013) Article DOI: 10.1016/j.bmcl.2012.12.003 BindingDB Entry DOI: 10.7270/Q2P55PTG
					More data for this Ligand-Target Pair
Pancreatic triacylglycerol lipase (Sus scrofa (Pig))	BDBM50429043 (CHEMBL2334103 | Rotenoisin A) Show SMILES COc1cc2OC[C@H]3Oc4c5C[C@@H](Oc5ccc4[C@]4(CO4)[C@H]3c2cc1OC)C(C)=C |r| Show InChI InChI=1S/C24H24O6/c1-12(2)17-8-14-16(29-17)6-5-15-23(14)30-21-10-27-18-9-20(26-4)19(25-3)7-13(18)22(21)24(15)11-28-24/h5-7,9,17,21-22H,1,8,10-11H2,2-4H3/t17-,21-,22+,24-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Korea Atomic Energy Research Institute Curated by ChEMBL					Assay Description Inhibition of pig pancreatic lipase assessed as hydrolysis of p-nitrophenylbutyrate to p-nitrophenol				Bioorg Med Chem Lett 23: 1099-103 (2013) Article DOI: 10.1016/j.bmcl.2012.12.003 BindingDB Entry DOI: 10.7270/Q2P55PTG
					More data for this Ligand-Target Pair
Pancreatic triacylglycerol lipase (Sus scrofa (Pig))	BDBM50429042 (CHEMBL2334102 | Rotenoisin B) Show SMILES COc1cc2OC[C@H]3Oc4c5C[C@@H](Oc5ccc4[C@@]4(C[C@H]5O[C@@]5(O)[C@H](O)O4)[C@H]3c2cc1OC)C(C)=C |r| Show InChI InChI=1S/C27H28O9/c1-12(2)17-8-14-16(33-17)6-5-15-24(14)34-21-11-32-18-9-20(31-4)19(30-3)7-13(18)23(21)26(15)10-22-27(29,35-22)25(28)36-26/h5-7,9,17,21-23,25,28-29H,1,8,10-11H2,2-4H3/t17-,21-,22-,23+,25-,26+,27-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.84E+4	n/a	n/a	n/a	n/a	n/a	n/a
Korea Atomic Energy Research Institute Curated by ChEMBL					Assay Description Inhibition of pig pancreatic lipase assessed as hydrolysis of p-nitrophenylbutyrate to p-nitrophenol				Bioorg Med Chem Lett 23: 1099-103 (2013) Article DOI: 10.1016/j.bmcl.2012.12.003 BindingDB Entry DOI: 10.7270/Q2P55PTG
					More data for this Ligand-Target Pair
Pancreatic triacylglycerol lipase (Sus scrofa (Pig))	BDBM50135527 ((-)-cis-rotenone | (-)-rotenone | (2R,6aS,12aS)-8,...) Show SMILES COc1cc2OC[C@H]3Oc4c5C[C@@H](Oc5ccc4C(=O)[C@H]3c2cc1OC)C(C)=C |r| Show InChI InChI=1S/C23H22O6/c1-11(2)16-8-14-15(28-16)6-5-12-22(24)21-13-7-18(25-3)19(26-4)9-17(13)27-10-20(21)29-23(12)14/h5-7,9,16,20-21H,1,8,10H2,2-4H3/t16-,20-,21+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Korea Atomic Energy Research Institute Curated by ChEMBL					Assay Description Inhibition of pig pancreatic lipase assessed as hydrolysis of p-nitrophenylbutyrate to p-nitrophenol				Bioorg Med Chem Lett 23: 1099-103 (2013) Article DOI: 10.1016/j.bmcl.2012.12.003 BindingDB Entry DOI: 10.7270/Q2P55PTG
					More data for this Ligand-Target Pair