Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with all data for entry = 50000311   

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 2 (Homo sapiens (Human))	BDBM215552 (US9296745, 109-A | US9296745, 109-B | US9296745, 1...) Show SMILES Clc1cnn(c1)C1(CC1)c1nc2ccc(nc2[nH]1)N1CCC[C@H](C1)C(=O)N1CCCC1 |r| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Inc. Curated by ChEMBL					Assay Description Inhibition of human DGAT2 assessed as reduction in synthesis of triglycerol in human hepatocyte using [14C]glycerol as substrate preincubated for 20 ...				J Med Chem 61: 1767-1773 (2018) Article DOI: 10.1021/acs.jmedchem.7b00762 BindingDB Entry DOI: 10.7270/Q2C53P79
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 2 (Homo sapiens (Human))	BDBM215552 (US9296745, 109-A | US9296745, 109-B | US9296745, 1...) Show SMILES Clc1cnn(c1)C1(CC1)c1nc2ccc(nc2[nH]1)N1CCC[C@H](C1)C(=O)N1CCCC1 |r| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Inc. Curated by ChEMBL					Assay Description Inhibition of human DGAT2 using [1-14C]decanoyl-CoA/1,2-didecanoyl-sn-glycerol as substrate preincubated for 120 mins followed by substrate addition ...				J Med Chem 61: 1767-1773 (2018) Article DOI: 10.1021/acs.jmedchem.7b00762 BindingDB Entry DOI: 10.7270/Q2C53P79
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM136570 (US8865706, 9) Show SMILES C[C@H]1SC(N)=N[C@]2(CO[C@H](C[C@@H]12)c1cc(C)no1)c1ccc(F)cc1F |c:4| Show InChI InChI=1S/C18H19F2N3O2S/c1-9-5-16(25-23-9)15-7-13-10(2)26-17(21)22-18(13,8-24-15)12-4-3-11(19)6-14(12)20/h3-6,10,13,15H,7-8H2,1-2H3,(H2,21,22)/t10-,13+,15-,18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Inc. Curated by ChEMBL					Assay Description Inhibition of cathepsin D (unknown origin) by cell based assay				J Med Chem 61: 1767-1773 (2018) Article DOI: 10.1021/acs.jmedchem.7b00762 BindingDB Entry DOI: 10.7270/Q2C53P79
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM136570 (US8865706, 9) Show SMILES C[C@H]1SC(N)=N[C@]2(CO[C@H](C[C@@H]12)c1cc(C)no1)c1ccc(F)cc1F |c:4| Show InChI InChI=1S/C18H19F2N3O2S/c1-9-5-16(25-23-9)15-7-13-10(2)26-17(21)22-18(13,8-24-15)12-4-3-11(19)6-14(12)20/h3-6,10,13,15H,7-8H2,1-2H3,(H2,21,22)/t10-,13+,15-,18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant cathepsin D (unknown origin)				J Med Chem 61: 1767-1773 (2018) Article DOI: 10.1021/acs.jmedchem.7b00762 BindingDB Entry DOI: 10.7270/Q2C53P79
					More data for this Ligand-Target Pair