Compile Data Set for Download or QSAR

Found 17 hits Enz. Inhib. hit(s) with all data for entry = 50033961   

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 (Homo sapiens (Human))	BDBM50354642 (CHEMBL1834204) Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)-c1ccc(NC(=O)Nc2ccc(F)cc2F)cn1)C(O)=O |r| Show InChI InChI=1S/C24H22F2N4O4/c1-13(2)21(23(32)33)30-22(31)15-5-3-14(4-6-15)19-10-8-17(12-27-19)28-24(34)29-20-9-7-16(25)11-18(20)26/h3-13,21H,1-2H3,(H,30,31)(H,32,33)(H2,28,29,34)/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL 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
Piramal Life Sciences Limited Curated by ChEMBL					Assay Description Inhibition of human DGAT1 assessed as formation of [14C]-triglyceride using [14C]oleoyl-CoA by liquid scintillation counting				Bioorg Med Chem Lett 21: 5812-7 (2011) Article DOI: 10.1016/j.bmcl.2011.07.109 BindingDB Entry DOI: 10.7270/Q28G8M29
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50354637 (CHEMBL1834440) Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)-c1ccc(NC(=O)Nc2ccccc2F)cn1)C(O)=O |r| Show InChI InChI=1S/C24H23FN4O4/c1-14(2)21(23(31)32)29-22(30)16-9-7-15(8-10-16)19-12-11-17(13-26-19)27-24(33)28-20-6-4-3-5-18(20)25/h3-14,21H,1-2H3,(H,29,30)(H,31,32)(H2,27,28,33)/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL 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
Piramal Life Sciences Limited Curated by ChEMBL					Assay Description Inhibition of human DGAT1 assessed as formation of [14C]-triglyceride using [14C]oleoyl-CoA by liquid scintillation counting				Bioorg Med Chem Lett 21: 5812-7 (2011) Article DOI: 10.1016/j.bmcl.2011.07.109 BindingDB Entry DOI: 10.7270/Q28G8M29
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50354639 (CHEMBL1834201) Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)-c1ccc(NC(=O)Nc2ccc(F)cc2)cn1)C(O)=O |r| Show InChI InChI=1S/C24H23FN4O4/c1-14(2)21(23(31)32)29-22(30)16-5-3-15(4-6-16)20-12-11-19(13-26-20)28-24(33)27-18-9-7-17(25)8-10-18/h3-14,21H,1-2H3,(H,29,30)(H,31,32)(H2,27,28,33)/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Life Sciences Limited Curated by ChEMBL					Assay Description Inhibition of human DGAT1 assessed as formation of [14C]-triglyceride using [14C]oleoyl-CoA by liquid scintillation counting				Bioorg Med Chem Lett 21: 5812-7 (2011) Article DOI: 10.1016/j.bmcl.2011.07.109 BindingDB Entry DOI: 10.7270/Q28G8M29
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50354638 (CHEMBL1834200) Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)-c1ccc(NC(=O)Nc2cccc(F)c2)cn1)C(O)=O |r| Show InChI InChI=1S/C24H23FN4O4/c1-14(2)21(23(31)32)29-22(30)16-8-6-15(7-9-16)20-11-10-19(13-26-20)28-24(33)27-18-5-3-4-17(25)12-18/h3-14,21H,1-2H3,(H,29,30)(H,31,32)(H2,27,28,33)/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Life Sciences Limited Curated by ChEMBL					Assay Description Inhibition of human DGAT1 assessed as formation of [14C]-triglyceride using [14C]oleoyl-CoA by liquid scintillation counting				Bioorg Med Chem Lett 21: 5812-7 (2011) Article DOI: 10.1016/j.bmcl.2011.07.109 BindingDB Entry DOI: 10.7270/Q28G8M29
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM20716 ((1R,2R)-2-[(4-{4-[(phenylcarbamoyl)amino]phenyl}ph...) Show SMILES OC(=O)[C@@H]1CCC[C@H]1C(=O)c1ccc(cc1)-c1ccc(NC(=O)Nc2ccccc2)cc1 |r| Show InChI InChI=1S/C26H24N2O4/c29-24(22-7-4-8-23(22)25(30)31)19-11-9-17(10-12-19)18-13-15-21(16-14-18)28-26(32)27-20-5-2-1-3-6-20/h1-3,5-6,9-16,22-23H,4,7-8H2,(H,30,31)(H2,27,28,32)/t22-,23-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Life Sciences Limited Curated by ChEMBL					Assay Description Inhibition of human DGAT1 assessed as formation of [14C]-triglyceride using [14C]oleoyl-CoA by liquid scintillation counting				Bioorg Med Chem Lett 21: 5812-7 (2011) Article DOI: 10.1016/j.bmcl.2011.07.109 BindingDB Entry DOI: 10.7270/Q28G8M29
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM20716 ((1R,2R)-2-[(4-{4-[(phenylcarbamoyl)amino]phenyl}ph...) Show SMILES OC(=O)[C@@H]1CCC[C@H]1C(=O)c1ccc(cc1)-c1ccc(NC(=O)Nc2ccccc2)cc1 |r| Show InChI InChI=1S/C26H24N2O4/c29-24(22-7-4-8-23(22)25(30)31)19-11-9-17(10-12-19)18-13-15-21(16-14-18)28-26(32)27-20-5-2-1-3-6-20/h1-3,5-6,9-16,22-23H,4,7-8H2,(H,30,31)(H2,27,28,32)/t22-,23-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Life Sciences Limited Curated by ChEMBL					Assay Description Inhibition of human DGAT1 expressed in Sf9 cells assessed as formation of didecanoylglycerol product after 1 hr using 14C-decanoyl-CoA by beta scinti...				Bioorg Med Chem Lett 21: 5812-7 (2011) Article DOI: 10.1016/j.bmcl.2011.07.109 BindingDB Entry DOI: 10.7270/Q28G8M29
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50354641 (CHEMBL1834203) Show SMILES COc1ccc(NC(=O)Nc2ccc(nc2)-c2ccc(cc2)C(=O)N[C@@H](C(C)C)C(O)=O)cc1 |r| Show InChI InChI=1S/C25H26N4O5/c1-15(2)22(24(31)32)29-23(30)17-6-4-16(5-7-17)21-13-10-19(14-26-21)28-25(33)27-18-8-11-20(34-3)12-9-18/h4-15,22H,1-3H3,(H,29,30)(H,31,32)(H2,27,28,33)/t22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Life Sciences Limited Curated by ChEMBL					Assay Description Inhibition of human DGAT1 assessed as formation of [14C]-triglyceride using [14C]oleoyl-CoA by liquid scintillation counting				Bioorg Med Chem Lett 21: 5812-7 (2011) Article DOI: 10.1016/j.bmcl.2011.07.109 BindingDB Entry DOI: 10.7270/Q28G8M29
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50354631 (CHEMBL1834433) Show SMILES OC[C@H](NC(=O)c1ccc(cc1)-c1ccc(NC(=O)Nc2ccccc2)nc1)C(O)=O |r| Show InChI InChI=1S/C22H20N4O5/c27-13-18(21(29)30)25-20(28)15-8-6-14(7-9-15)16-10-11-19(23-12-16)26-22(31)24-17-4-2-1-3-5-17/h1-12,18,27H,13H2,(H,25,28)(H,29,30)(H2,23,24,26,31)/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Life Sciences Limited Curated by ChEMBL					Assay Description Inhibition of human DGAT1 assessed as formation of [14C]-triglyceride using [14C]oleoyl-CoA by liquid scintillation counting				Bioorg Med Chem Lett 21: 5812-7 (2011) Article DOI: 10.1016/j.bmcl.2011.07.109 BindingDB Entry DOI: 10.7270/Q28G8M29
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50354629 (CHEMBL1834431) Show SMILES OC(=O)CNC(=O)c1ccc(cc1)-c1ccc(NC(=O)Nc2ccccc2)nc1 Show InChI InChI=1S/C21H18N4O4/c26-19(27)13-23-20(28)15-8-6-14(7-9-15)16-10-11-18(22-12-16)25-21(29)24-17-4-2-1-3-5-17/h1-12H,13H2,(H,23,28)(H,26,27)(H2,22,24,25,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Life Sciences Limited Curated by ChEMBL					Assay Description Inhibition of human DGAT1 assessed as formation of [14C]-triglyceride using [14C]oleoyl-CoA by liquid scintillation counting				Bioorg Med Chem Lett 21: 5812-7 (2011) Article DOI: 10.1016/j.bmcl.2011.07.109 BindingDB Entry DOI: 10.7270/Q28G8M29
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50354634 (CHEMBL1834436) Show SMILES CC(C)C[C@H](NC(=O)c1ccc(cc1)-c1ccc(NC(=O)Nc2ccccc2)nc1)C(O)=O |r| Show InChI InChI=1S/C25H26N4O4/c1-16(2)14-21(24(31)32)28-23(30)18-10-8-17(9-11-18)19-12-13-22(26-15-19)29-25(33)27-20-6-4-3-5-7-20/h3-13,15-16,21H,14H2,1-2H3,(H,28,30)(H,31,32)(H2,26,27,29,33)/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Life Sciences Limited Curated by ChEMBL					Assay Description Inhibition of human DGAT1 assessed as formation of [14C]-triglyceride using [14C]oleoyl-CoA by liquid scintillation counting				Bioorg Med Chem Lett 21: 5812-7 (2011) Article DOI: 10.1016/j.bmcl.2011.07.109 BindingDB Entry DOI: 10.7270/Q28G8M29
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50354633 (CHEMBL1834435) Show SMILES CC(C)[C@@H](NC(=O)c1ccc(cc1)-c1ccc(NC(=O)Nc2ccccc2)nc1)C(O)=O |r| Show InChI InChI=1S/C24H24N4O4/c1-15(2)21(23(30)31)28-22(29)17-10-8-16(9-11-17)18-12-13-20(25-14-18)27-24(32)26-19-6-4-3-5-7-19/h3-15,21H,1-2H3,(H,28,29)(H,30,31)(H2,25,26,27,32)/t21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Life Sciences Limited Curated by ChEMBL					Assay Description Inhibition of human DGAT1 assessed as formation of [14C]-triglyceride using [14C]oleoyl-CoA by liquid scintillation counting				Bioorg Med Chem Lett 21: 5812-7 (2011) Article DOI: 10.1016/j.bmcl.2011.07.109 BindingDB Entry DOI: 10.7270/Q28G8M29
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50354636 (CHEMBL1834438) Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)-c1ccc(NC(=O)Nc2ccc(F)cc2F)nc1)C(O)=O |r| Show InChI InChI=1S/C24H22F2N4O4/c1-13(2)21(23(32)33)30-22(31)15-5-3-14(4-6-15)16-7-10-20(27-12-16)29-24(34)28-19-9-8-17(25)11-18(19)26/h3-13,21H,1-2H3,(H,30,31)(H,32,33)(H2,27,28,29,34)/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Life Sciences Limited Curated by ChEMBL					Assay Description Inhibition of human DGAT1 assessed as formation of [14C]-triglyceride using [14C]oleoyl-CoA by liquid scintillation counting				Bioorg Med Chem Lett 21: 5812-7 (2011) Article DOI: 10.1016/j.bmcl.2011.07.109 BindingDB Entry DOI: 10.7270/Q28G8M29
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50354640 (CHEMBL1834202) Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)-c1ccc(NC(=O)Nc2ccccc2OC(F)(F)F)cn1)C(O)=O |r| Show InChI InChI=1S/C25H23F3N4O5/c1-14(2)21(23(34)35)32-22(33)16-9-7-15(8-10-16)18-12-11-17(13-29-18)30-24(36)31-19-5-3-4-6-20(19)37-25(26,27)28/h3-14,21H,1-2H3,(H,32,33)(H,34,35)(H2,30,31,36)/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Life Sciences Limited Curated by ChEMBL					Assay Description Inhibition of human DGAT1 assessed as formation of [14C]-triglyceride using [14C]oleoyl-CoA by liquid scintillation counting				Bioorg Med Chem Lett 21: 5812-7 (2011) Article DOI: 10.1016/j.bmcl.2011.07.109 BindingDB Entry DOI: 10.7270/Q28G8M29
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50354630 (CHEMBL1834432) Show SMILES C[C@H](NC(=O)c1ccc(cc1)-c1ccc(NC(=O)Nc2ccccc2)nc1)C(O)=O |r| Show InChI InChI=1S/C22H20N4O4/c1-14(21(28)29)24-20(27)16-9-7-15(8-10-16)17-11-12-19(23-13-17)26-22(30)25-18-5-3-2-4-6-18/h2-14H,1H3,(H,24,27)(H,28,29)(H2,23,25,26,30)/t14-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Life Sciences Limited Curated by ChEMBL					Assay Description Inhibition of human DGAT1 assessed as formation of [14C]-triglyceride using [14C]oleoyl-CoA by liquid scintillation counting				Bioorg Med Chem Lett 21: 5812-7 (2011) Article DOI: 10.1016/j.bmcl.2011.07.109 BindingDB Entry DOI: 10.7270/Q28G8M29
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50354643 (CHEMBL1834206) Show SMILES OC(=O)[C@@H]1CCC[C@H]1C(=O)c1ccc(cc1)-c1ccc(Nc2nc3ccc(F)cc3s2)c(F)c1 |r| Show InChI InChI=1S/C26H20F2N2O3S/c27-17-9-11-22-23(13-17)34-26(30-22)29-21-10-8-16(12-20(21)28)14-4-6-15(7-5-14)24(31)18-2-1-3-19(18)25(32)33/h4-13,18-19H,1-3H2,(H,29,30)(H,32,33)/t18-,19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	73	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Life Sciences Limited Curated by ChEMBL					Assay Description Inhibition of human DGAT1 expressed in Sf9 cells assessed as formation of didecanoylglycerol product after 1 hr using 14C-decanoyl-CoA by beta scinti...				Bioorg Med Chem Lett 21: 5812-7 (2011) Article DOI: 10.1016/j.bmcl.2011.07.109 BindingDB Entry DOI: 10.7270/Q28G8M29
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50354632 (CHEMBL1834434) Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)-c1ccc(NC(=O)Nc2ccccc2)nc1)C(O)=O |r| Show InChI InChI=1S/C24H24N4O4/c1-15(2)21(23(30)31)28-22(29)17-10-8-16(9-11-17)18-12-13-20(25-14-18)27-24(32)26-19-6-4-3-5-7-19/h3-15,21H,1-2H3,(H,28,29)(H,30,31)(H2,25,26,27,32)/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	88	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Life Sciences Limited Curated by ChEMBL					Assay Description Inhibition of human DGAT1 assessed as formation of [14C]-triglyceride using [14C]oleoyl-CoA by liquid scintillation counting				Bioorg Med Chem Lett 21: 5812-7 (2011) Article DOI: 10.1016/j.bmcl.2011.07.109 BindingDB Entry DOI: 10.7270/Q28G8M29
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50354635 (CHEMBL1834437) Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)-c1ccc(NC(=O)Nc2ccc(F)cc2)nc1)C(O)=O |r| Show InChI InChI=1S/C24H23FN4O4/c1-14(2)21(23(31)32)29-22(30)16-5-3-15(4-6-16)17-7-12-20(26-13-17)28-24(33)27-19-10-8-18(25)9-11-19/h3-14,21H,1-2H3,(H,29,30)(H,31,32)(H2,26,27,28,33)/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	99	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Life Sciences Limited Curated by ChEMBL					Assay Description Inhibition of human DGAT1 assessed as formation of [14C]-triglyceride using [14C]oleoyl-CoA by liquid scintillation counting				Bioorg Med Chem Lett 21: 5812-7 (2011) Article DOI: 10.1016/j.bmcl.2011.07.109 BindingDB Entry DOI: 10.7270/Q28G8M29
					More data for this Ligand-Target Pair