Compile Data Set for Download or QSAR

Found 17 hits Enz. Inhib. hit(s) with all data for assayid = 5 entry = 50001207   

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 (Mus musculus (mouse))	BDBM50272118 (CHEMBL4130032) Show SMILES CC(C)(CC(O)=O)C#Cc1c(Cl)cc(cc1Cl)N1CCOc2ncnc(N)c2C1=O Show InChI InChI=1S/C20H18Cl2N4O4/c1-20(2,9-15(27)28)4-3-12-13(21)7-11(8-14(12)22)26-5-6-30-18-16(19(26)29)17(23)24-10-25-18/h7-8,10H,5-6,9H2,1-2H3,(H,27,28)(H2,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
WuXi AppTec (Shanghai) Co. Ltd Curated by ChEMBL					Assay Description Inhibition of mouse DGAT1 expressed in insect cell membranes using diacylglycerol/[14C]-oleoyl-CoA as substrate preincubated for 10 mins followed by ...				Bioorg Med Chem Lett 28: 1686-1692 (2018) Article DOI: 10.1016/j.bmcl.2018.04.051 BindingDB Entry DOI: 10.7270/Q2K64MKJ
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Mus musculus (mouse))	BDBM50272140 (CHEMBL4128662) Show SMILES Cc1cc(cc(F)c1C#CC(C)(C)CC(O)=O)N1CCOc2ncnc(N)c2C1=O Show InChI InChI=1S/C21H21FN4O4/c1-12-8-13(9-15(22)14(12)4-5-21(2,3)10-16(27)28)26-6-7-30-19-17(20(26)29)18(23)24-11-25-19/h8-9,11H,6-7,10H2,1-3H3,(H,27,28)(H2,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
WuXi AppTec (Shanghai) Co. Ltd Curated by ChEMBL					Assay Description Inhibition of mouse DGAT1 expressed in insect cell membranes using diacylglycerol/[14C]-oleoyl-CoA as substrate preincubated for 10 mins followed by ...				Bioorg Med Chem Lett 28: 1686-1692 (2018) Article DOI: 10.1016/j.bmcl.2018.04.051 BindingDB Entry DOI: 10.7270/Q2K64MKJ
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Mus musculus (mouse))	BDBM50272089 (CHEMBL4126331) Show SMILES Cc1cc(cc(C)c1C#CC(C)(C)CC(O)=O)N1CCOc2ncnc(N)c2C1=O Show InChI InChI=1S/C22H24N4O4/c1-13-9-15(10-14(2)16(13)5-6-22(3,4)11-17(27)28)26-7-8-30-20-18(21(26)29)19(23)24-12-25-20/h9-10,12H,7-8,11H2,1-4H3,(H,27,28)(H2,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
WuXi AppTec (Shanghai) Co. Ltd Curated by ChEMBL					Assay Description Inhibition of mouse DGAT1 expressed in insect cell membranes using diacylglycerol/[14C]-oleoyl-CoA as substrate preincubated for 10 mins followed by ...				Bioorg Med Chem Lett 28: 1686-1692 (2018) Article DOI: 10.1016/j.bmcl.2018.04.051 BindingDB Entry DOI: 10.7270/Q2K64MKJ
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Mus musculus (mouse))	BDBM50272117 (CHEMBL4126176) Show SMILES CCc1cc(cc(C)c1C#CC(C)(C)CC(O)=O)N1CCOc2ncnc(N)c2C1=O Show InChI InChI=1S/C23H26N4O4/c1-5-15-11-16(10-14(2)17(15)6-7-23(3,4)12-18(28)29)27-8-9-31-21-19(22(27)30)20(24)25-13-26-21/h10-11,13H,5,8-9,12H2,1-4H3,(H,28,29)(H2,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
WuXi AppTec (Shanghai) Co. Ltd Curated by ChEMBL					Assay Description Inhibition of mouse DGAT1 expressed in insect cell membranes using diacylglycerol/[14C]-oleoyl-CoA as substrate preincubated for 10 mins followed by ...				Bioorg Med Chem Lett 28: 1686-1692 (2018) Article DOI: 10.1016/j.bmcl.2018.04.051 BindingDB Entry DOI: 10.7270/Q2K64MKJ
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Mus musculus (mouse))	BDBM50272122 (CHEMBL4129633) Show SMILES CCc1cc(cc(CC)c1C#CC(C)(C)CC(O)=O)N1CCOc2ncnc(N)c2C1=O Show InChI InChI=1S/C24H28N4O4/c1-5-15-11-17(12-16(6-2)18(15)7-8-24(3,4)13-19(29)30)28-9-10-32-22-20(23(28)31)21(25)26-14-27-22/h11-12,14H,5-6,9-10,13H2,1-4H3,(H,29,30)(H2,25,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
WuXi AppTec (Shanghai) Co. Ltd Curated by ChEMBL					Assay Description Inhibition of mouse DGAT1 expressed in insect cell membranes using diacylglycerol/[14C]-oleoyl-CoA as substrate preincubated for 10 mins followed by ...				Bioorg Med Chem Lett 28: 1686-1692 (2018) Article DOI: 10.1016/j.bmcl.2018.04.051 BindingDB Entry DOI: 10.7270/Q2K64MKJ
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Mus musculus (mouse))	BDBM50272177 (CHEMBL4127235) Show SMILES Cc1cc(cc(Cl)c1C#CC(C)(C)CC(O)=O)N1CCOc2ncnc(N)c2C1=O Show InChI InChI=1S/C21H21ClN4O4/c1-12-8-13(9-15(22)14(12)4-5-21(2,3)10-16(27)28)26-6-7-30-19-17(20(26)29)18(23)24-11-25-19/h8-9,11H,6-7,10H2,1-3H3,(H,27,28)(H2,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
WuXi AppTec (Shanghai) Co. Ltd Curated by ChEMBL					Assay Description Inhibition of mouse DGAT1 expressed in insect cell membranes using diacylglycerol/[14C]-oleoyl-CoA as substrate preincubated for 10 mins followed by ...				Bioorg Med Chem Lett 28: 1686-1692 (2018) Article DOI: 10.1016/j.bmcl.2018.04.051 BindingDB Entry DOI: 10.7270/Q2K64MKJ
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Mus musculus (mouse))	BDBM50272176 (CHEMBL4128918) Show SMILES CC(C)(CC(O)=O)C#Cc1ccc(cc1C(F)(F)F)N1CCOc2ncnc(N)c2C1=O Show InChI InChI=1S/C21H19F3N4O4/c1-20(2,10-15(29)30)6-5-12-3-4-13(9-14(12)21(22,23)24)28-7-8-32-18-16(19(28)31)17(25)26-11-27-18/h3-4,9,11H,7-8,10H2,1-2H3,(H,29,30)(H2,25,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
WuXi AppTec (Shanghai) Co. Ltd Curated by ChEMBL					Assay Description Inhibition of mouse DGAT1 expressed in insect cell membranes using diacylglycerol/[14C]-oleoyl-CoA as substrate preincubated for 10 mins followed by ...				Bioorg Med Chem Lett 28: 1686-1692 (2018) Article DOI: 10.1016/j.bmcl.2018.04.051 BindingDB Entry DOI: 10.7270/Q2K64MKJ
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Mus musculus (mouse))	BDBM50272120 (CHEMBL4128144) Show SMILES CC(C)(CC(O)=O)C#Cc1ccc(cc1Cl)N1CCOc2ncnc(N)c2C1=O Show InChI InChI=1S/C20H19ClN4O4/c1-20(2,10-15(26)27)6-5-12-3-4-13(9-14(12)21)25-7-8-29-18-16(19(25)28)17(22)23-11-24-18/h3-4,9,11H,7-8,10H2,1-2H3,(H,26,27)(H2,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
WuXi AppTec (Shanghai) Co. Ltd Curated by ChEMBL					Assay Description Inhibition of mouse DGAT1 expressed in insect cell membranes using diacylglycerol/[14C]-oleoyl-CoA as substrate preincubated for 10 mins followed by ...				Bioorg Med Chem Lett 28: 1686-1692 (2018) Article DOI: 10.1016/j.bmcl.2018.04.051 BindingDB Entry DOI: 10.7270/Q2K64MKJ
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Mus musculus (mouse))	BDBM50272088 (CHEMBL4126883) Show SMILES CC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)N1CCOc2ncnc(N)c2C1=O |r,wU:7.10,wD:4.3,(41.23,-28.2,;39.91,-28.98,;38.58,-28.22,;39.91,-30.51,;38.59,-31.28,;37.25,-30.52,;35.91,-31.3,;35.94,-32.83,;37.27,-33.6,;38.59,-32.82,;34.61,-33.61,;34.61,-35.16,;33.27,-35.93,;31.95,-35.16,;31.95,-33.62,;33.27,-32.84,;30.62,-35.93,;30.73,-37.45,;29.6,-38.51,;28.08,-38.29,;27.31,-36.95,;25.8,-37.19,;24.84,-35.99,;25.4,-34.56,;26.91,-34.33,;27.48,-32.89,;27.87,-35.52,;29.34,-35.06,;29.57,-33.54,)| Show InChI InChI=1S/C22H26N4O3/c1-14(27)12-15-2-4-16(5-3-15)17-6-8-18(9-7-17)26-10-11-29-21-19(22(26)28)20(23)24-13-25-21/h6-9,13,15-16H,2-5,10-12H2,1H3,(H2,23,24,25)/t15-,16-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
WuXi AppTec (Shanghai) Co. Ltd Curated by ChEMBL					Assay Description Inhibition of mouse DGAT1 expressed in insect cell membranes using diacylglycerol/[14C]-oleoyl-CoA as substrate preincubated for 10 mins followed by ...				Bioorg Med Chem Lett 28: 1686-1692 (2018) Article DOI: 10.1016/j.bmcl.2018.04.051 BindingDB Entry DOI: 10.7270/Q2K64MKJ
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Mus musculus (mouse))	BDBM50272178 (CHEMBL4128291) Show SMILES Cc1cc(ccc1C#CC(C)(C)CC(O)=O)N1CCOc2ncnc(N)c2C1=O Show InChI InChI=1S/C21H22N4O4/c1-13-10-15(5-4-14(13)6-7-21(2,3)11-16(26)27)25-8-9-29-19-17(20(25)28)18(22)23-12-24-19/h4-5,10,12H,8-9,11H2,1-3H3,(H,26,27)(H2,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
WuXi AppTec (Shanghai) Co. Ltd Curated by ChEMBL					Assay Description Inhibition of mouse DGAT1 expressed in insect cell membranes using diacylglycerol/[14C]-oleoyl-CoA as substrate preincubated for 10 mins followed by ...				Bioorg Med Chem Lett 28: 1686-1692 (2018) Article DOI: 10.1016/j.bmcl.2018.04.051 BindingDB Entry DOI: 10.7270/Q2K64MKJ
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Mus musculus (mouse))	BDBM50272168 (CHEMBL4129520) Show SMILES CC(C)(CC(O)=O)C#Cc1ccc(cc1F)N1CCOc2ncnc(N)c2C1=O Show InChI InChI=1S/C20H19FN4O4/c1-20(2,10-15(26)27)6-5-12-3-4-13(9-14(12)21)25-7-8-29-18-16(19(25)28)17(22)23-11-24-18/h3-4,9,11H,7-8,10H2,1-2H3,(H,26,27)(H2,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
WuXi AppTec (Shanghai) Co. Ltd Curated by ChEMBL					Assay Description Inhibition of mouse DGAT1 expressed in insect cell membranes using diacylglycerol/[14C]-oleoyl-CoA as substrate preincubated for 10 mins followed by ...				Bioorg Med Chem Lett 28: 1686-1692 (2018) Article DOI: 10.1016/j.bmcl.2018.04.051 BindingDB Entry DOI: 10.7270/Q2K64MKJ
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Mus musculus (mouse))	BDBM50272104 (CHEMBL4126431) Show SMILES CC(C)(CC(O)=O)C#Cc1ccc(cc1OC(F)(F)F)N1CCOc2ncnc(N)c2C1=O Show InChI InChI=1S/C21H19F3N4O5/c1-20(2,10-15(29)30)6-5-12-3-4-13(9-14(12)33-21(22,23)24)28-7-8-32-18-16(19(28)31)17(25)26-11-27-18/h3-4,9,11H,7-8,10H2,1-2H3,(H,29,30)(H2,25,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	92	n/a	n/a	n/a	n/a	n/a	n/a
WuXi AppTec (Shanghai) Co. Ltd Curated by ChEMBL					Assay Description Inhibition of mouse DGAT1 expressed in insect cell membranes using diacylglycerol/[14C]-oleoyl-CoA as substrate preincubated for 10 mins followed by ...				Bioorg Med Chem Lett 28: 1686-1692 (2018) Article DOI: 10.1016/j.bmcl.2018.04.051 BindingDB Entry DOI: 10.7270/Q2K64MKJ
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Mus musculus (mouse))	BDBM50272164 (CHEMBL4128819) Show SMILES COc1cc(cc(C)c1C#CC(C)(C)CC(O)=O)N1CCOc2ncnc(N)c2C1=O Show InChI InChI=1S/C22H24N4O5/c1-13-9-14(10-16(30-4)15(13)5-6-22(2,3)11-17(27)28)26-7-8-31-20-18(21(26)29)19(23)24-12-25-20/h9-10,12H,7-8,11H2,1-4H3,(H,27,28)(H2,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	96	n/a	n/a	n/a	n/a	n/a	n/a
WuXi AppTec (Shanghai) Co. Ltd Curated by ChEMBL					Assay Description Inhibition of mouse DGAT1 expressed in insect cell membranes using diacylglycerol/[14C]-oleoyl-CoA as substrate preincubated for 10 mins followed by ...				Bioorg Med Chem Lett 28: 1686-1692 (2018) Article DOI: 10.1016/j.bmcl.2018.04.051 BindingDB Entry DOI: 10.7270/Q2K64MKJ
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Mus musculus (mouse))	BDBM50272119 (CHEMBL4130328) Show SMILES CC(C)(CC(O)=O)C#Cc1ccc(cc1)N1CCOc2ncnc(N)c2C1=O Show InChI InChI=1S/C20H20N4O4/c1-20(2,11-15(25)26)8-7-13-3-5-14(6-4-13)24-9-10-28-18-16(19(24)27)17(21)22-12-23-18/h3-6,12H,9-11H2,1-2H3,(H,25,26)(H2,21,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	282	n/a	n/a	n/a	n/a	n/a	n/a
WuXi AppTec (Shanghai) Co. Ltd Curated by ChEMBL					Assay Description Inhibition of mouse DGAT1 expressed in insect cell membranes using diacylglycerol/[14C]-oleoyl-CoA as substrate preincubated for 10 mins followed by ...				Bioorg Med Chem Lett 28: 1686-1692 (2018) Article DOI: 10.1016/j.bmcl.2018.04.051 BindingDB Entry DOI: 10.7270/Q2K64MKJ
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Mus musculus (mouse))	BDBM50272139 (CHEMBL4126345) Show SMILES CCc1cc(ccc1C#CC(C)(C)CC(O)=O)N1CCOc2ncnc(N)c2C1=O Show InChI InChI=1S/C22H24N4O4/c1-4-14-11-16(6-5-15(14)7-8-22(2,3)12-17(27)28)26-9-10-30-20-18(21(26)29)19(23)24-13-25-20/h5-6,11,13H,4,9-10,12H2,1-3H3,(H,27,28)(H2,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	682	n/a	n/a	n/a	n/a	n/a	n/a
WuXi AppTec (Shanghai) Co. Ltd Curated by ChEMBL					Assay Description Inhibition of mouse DGAT1 expressed in insect cell membranes using diacylglycerol/[14C]-oleoyl-CoA as substrate preincubated for 10 mins followed by ...				Bioorg Med Chem Lett 28: 1686-1692 (2018) Article DOI: 10.1016/j.bmcl.2018.04.051 BindingDB Entry DOI: 10.7270/Q2K64MKJ
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Mus musculus (mouse))	BDBM50272121 (CHEMBL4130041) Show SMILES COc1cc(ccc1C#CC(C)(C)CC(O)=O)N1CCOc2ncnc(N)c2C1=O Show InChI InChI=1S/C21H22N4O5/c1-21(2,11-16(26)27)7-6-13-4-5-14(10-15(13)29-3)25-8-9-30-19-17(20(25)28)18(22)23-12-24-19/h4-5,10,12H,8-9,11H2,1-3H3,(H,26,27)(H2,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	728	n/a	n/a	n/a	n/a	n/a	n/a
WuXi AppTec (Shanghai) Co. Ltd Curated by ChEMBL					Assay Description Inhibition of mouse DGAT1 expressed in insect cell membranes using diacylglycerol/[14C]-oleoyl-CoA as substrate preincubated for 10 mins followed by ...				Bioorg Med Chem Lett 28: 1686-1692 (2018) Article DOI: 10.1016/j.bmcl.2018.04.051 BindingDB Entry DOI: 10.7270/Q2K64MKJ
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Mus musculus (mouse))	BDBM50272102 (CHEMBL4128377) Show SMILES Cc1cc(ccc1N1CCOc2ncnc(N)c2C1=O)C#CC(C)(C)CC(O)=O Show InChI InChI=1S/C21H22N4O4/c1-13-10-14(6-7-21(2,3)11-16(26)27)4-5-15(13)25-8-9-29-19-17(20(25)28)18(22)23-12-24-19/h4-5,10,12H,8-9,11H2,1-3H3,(H,26,27)(H2,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.76E+3	n/a	n/a	n/a	n/a	n/a	n/a
WuXi AppTec (Shanghai) Co. Ltd Curated by ChEMBL					Assay Description Inhibition of mouse DGAT1 expressed in insect cell membranes using diacylglycerol/[14C]-oleoyl-CoA as substrate preincubated for 10 mins followed by ...				Bioorg Med Chem Lett 28: 1686-1692 (2018) Article DOI: 10.1016/j.bmcl.2018.04.051 BindingDB Entry DOI: 10.7270/Q2K64MKJ
					More data for this Ligand-Target Pair