Compile Data Set for Download or QSAR

Found 136 hits with Last Name = 'deshmukh' and Initial = 'nj'   

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
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50426742 (CHEMBL2322167) Show SMILES CC(C)(C)COc1ccc(cc1C#N)-c1cc(=O)[nH]c(N)n1 Show InChI InChI=1S/C16H18N4O2/c1-16(2,3)9-22-13-5-4-10(6-11(13)8-17)12-7-14(21)20-15(18)19-12/h4-7H,9H2,1-3H3,(H3,18,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Healthcare Limited Curated by ChEMBL					Assay Description Inhibition of bovine xanthine oxidase-mediated uric acid production after 30 mins by spectrophotometric analysis				Bioorg Med Chem Lett 23: 834-8 (2013) Article DOI: 10.1016/j.bmcl.2012.11.057 BindingDB Entry DOI: 10.7270/Q28W3FMN
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50426763 (CHEMBL2322147) Show SMILES CC(C)(COc1ccc(cc1C#N)-c1cc(=O)[nH]c(N)n1)C(O)=O Show InChI InChI=1S/C16H16N4O4/c1-16(2,14(22)23)8-24-12-4-3-9(5-10(12)7-17)11-6-13(21)20-15(18)19-11/h3-6H,8H2,1-2H3,(H,22,23)(H3,18,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Healthcare Limited Curated by ChEMBL					Assay Description Inhibition of bovine xanthine oxidase-mediated uric acid production after 30 mins by spectrophotometric analysis				Bioorg Med Chem Lett 23: 834-8 (2013) Article DOI: 10.1016/j.bmcl.2012.11.057 BindingDB Entry DOI: 10.7270/Q28W3FMN
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50426761 (CHEMBL2322149) Show SMILES Nc1nc(cc(=O)[nH]1)-c1ccc(OCc2ccc(cc2)C(O)=O)c(c1)C#N Show InChI InChI=1S/C19H14N4O4/c20-9-14-7-13(15-8-17(24)23-19(21)22-15)5-6-16(14)27-10-11-1-3-12(4-2-11)18(25)26/h1-8H,10H2,(H,25,26)(H3,21,22,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Healthcare Limited Curated by ChEMBL					Assay Description Inhibition of bovine xanthine oxidase-mediated uric acid production after 30 mins by spectrophotometric analysis				Bioorg Med Chem Lett 23: 834-8 (2013) Article DOI: 10.1016/j.bmcl.2012.11.057 BindingDB Entry DOI: 10.7270/Q28W3FMN
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50426769 (CHEMBL2322169) Show SMILES Nc1nc(cc(=O)[nH]1)-c1ccc(OCc2ccc(F)cc2)c(c1)C#N Show InChI InChI=1S/C18H13FN4O2/c19-14-4-1-11(2-5-14)10-25-16-6-3-12(7-13(16)9-20)15-8-17(24)23-18(21)22-15/h1-8H,10H2,(H3,21,22,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Healthcare Limited Curated by ChEMBL					Assay Description Inhibition of bovine xanthine oxidase-mediated uric acid production after 30 mins by spectrophotometric analysis				Bioorg Med Chem Lett 23: 834-8 (2013) Article DOI: 10.1016/j.bmcl.2012.11.057 BindingDB Entry DOI: 10.7270/Q28W3FMN
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50426768 (CHEMBL2322170) Show SMILES Nc1nc(cc(=O)[nH]1)-c1ccc(OCc2ccccc2C(F)(F)F)c(c1)C#N Show InChI InChI=1S/C19H13F3N4O2/c20-19(21,22)14-4-2-1-3-12(14)10-28-16-6-5-11(7-13(16)9-23)15-8-17(27)26-18(24)25-15/h1-8H,10H2,(H3,24,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Healthcare Limited Curated by ChEMBL					Assay Description Inhibition of bovine xanthine oxidase-mediated uric acid production after 30 mins by spectrophotometric analysis				Bioorg Med Chem Lett 23: 834-8 (2013) Article DOI: 10.1016/j.bmcl.2012.11.057 BindingDB Entry DOI: 10.7270/Q28W3FMN
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50426760 (CHEMBL2322150) Show SMILES COC(=O)c1ccc(COc2ccc(cc2C#N)-c2cc(=O)[nH]c(N)n2)cc1 Show InChI InChI=1S/C20H16N4O4/c1-27-19(26)13-4-2-12(3-5-13)11-28-17-7-6-14(8-15(17)10-21)16-9-18(25)24-20(22)23-16/h2-9H,11H2,1H3,(H3,22,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Healthcare Limited Curated by ChEMBL					Assay Description Inhibition of bovine xanthine oxidase-mediated uric acid production after 30 mins by spectrophotometric analysis				Bioorg Med Chem Lett 23: 834-8 (2013) Article DOI: 10.1016/j.bmcl.2012.11.057 BindingDB Entry DOI: 10.7270/Q28W3FMN
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50426759 (CHEMBL2322151) Show SMILES Nc1nc(cc(=O)[nH]1)-c1ccc(OCC2CCC(CC2)C(O)=O)c(c1)C#N |(13.46,-38.13,;14.8,-37.36,;16.13,-38.13,;17.47,-37.36,;17.46,-35.81,;16.13,-35.05,;16.12,-33.51,;14.8,-35.82,;18.8,-38.13,;20.12,-37.35,;21.46,-38.12,;21.46,-39.66,;22.8,-40.43,;22.8,-41.97,;24.14,-42.74,;24.13,-44.27,;25.46,-45.04,;26.8,-44.27,;26.8,-42.73,;25.46,-41.95,;28.14,-45.04,;28.13,-46.58,;29.47,-44.27,;20.13,-40.44,;18.8,-39.67,;20.14,-41.97,;20.14,-43.51,)| Show InChI InChI=1S/C19H20N4O4/c20-9-14-7-13(15-8-17(24)23-19(21)22-15)5-6-16(14)27-10-11-1-3-12(4-2-11)18(25)26/h5-8,11-12H,1-4,10H2,(H,25,26)(H3,21,22,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Healthcare Limited Curated by ChEMBL					Assay Description Inhibition of bovine xanthine oxidase-mediated uric acid production after 30 mins by spectrophotometric analysis				Bioorg Med Chem Lett 23: 834-8 (2013) Article DOI: 10.1016/j.bmcl.2012.11.057 BindingDB Entry DOI: 10.7270/Q28W3FMN
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50426744 (CHEMBL2322165) Show SMILES CCC(CC)COc1ccc(cc1C#N)-c1cc(=O)[nH]c(N)n1 Show InChI InChI=1S/C17H20N4O2/c1-3-11(4-2)10-23-15-6-5-12(7-13(15)9-18)14-8-16(22)21-17(19)20-14/h5-8,11H,3-4,10H2,1-2H3,(H3,19,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Healthcare Limited Curated by ChEMBL					Assay Description Inhibition of bovine xanthine oxidase-mediated uric acid production after 30 mins by spectrophotometric analysis				Bioorg Med Chem Lett 23: 834-8 (2013) Article DOI: 10.1016/j.bmcl.2012.11.057 BindingDB Entry DOI: 10.7270/Q28W3FMN
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50436848 (CHEMBL2403617) Show SMILES CC(C)[C@H](NC(=O)c1ncc(s1)-c1ccc(Nc2nc3ccc(F)cc3s2)cc1)C(O)=O |r| Show InChI InChI=1S/C22H19FN4O3S2/c1-11(2)18(21(29)30)27-19(28)20-24-10-17(31-20)12-3-6-14(7-4-12)25-22-26-15-8-5-13(23)9-16(15)32-22/h3-11,18H,1-2H3,(H,25,26)(H,27,28)(H,29,30)/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Enterprises Limited Curated by ChEMBL					Assay Description Inhibition of human DGAT1 using [14C]-oleoylCoA/diolein as substrate assessed as formation of [14C]triglyceride after 10 mins by scintillation counti...				Eur J Med Chem 65: 337-47 (2013) Article DOI: 10.1016/j.ejmech.2013.05.006 BindingDB Entry DOI: 10.7270/Q2QJ7JPW
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50426764 (CHEMBL2322146) Show SMILES Nc1nc(cc(=O)[nH]1)-c1ccc(OCC2CCCCC2)c(c1)C#N Show InChI InChI=1S/C18H20N4O2/c19-10-14-8-13(15-9-17(23)22-18(20)21-15)6-7-16(14)24-11-12-4-2-1-3-5-12/h6-9,12H,1-5,11H2,(H3,20,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Healthcare Limited Curated by ChEMBL					Assay Description Inhibition of bovine xanthine oxidase-mediated uric acid production after 30 mins by spectrophotometric analysis				Bioorg Med Chem Lett 23: 834-8 (2013) Article DOI: 10.1016/j.bmcl.2012.11.057 BindingDB Entry DOI: 10.7270/Q28W3FMN
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50426747 (CHEMBL2322162) Show SMILES COC(=O)C1CCC(COc2ccc(cc2C#N)-c2ccnc(N)n2)CC1 |(24.48,-22.25,;25.8,-21.48,;25.8,-19.96,;27.12,-19.19,;24.47,-19.2,;23.13,-19.97,;21.8,-19.21,;21.8,-17.66,;20.46,-16.9,;20.46,-15.36,;19.12,-14.59,;19.12,-13.04,;17.78,-12.28,;16.45,-13.05,;16.45,-14.59,;17.79,-15.36,;17.8,-16.9,;17.8,-18.44,;15.12,-12.28,;15.12,-10.73,;13.78,-9.97,;12.45,-10.74,;12.45,-12.28,;11.11,-13.05,;13.79,-13.05,;23.12,-16.89,;24.46,-17.65,)| Show InChI InChI=1S/C20H22N4O3/c1-26-19(25)14-4-2-13(3-5-14)12-27-18-7-6-15(10-16(18)11-21)17-8-9-23-20(22)24-17/h6-10,13-14H,2-5,12H2,1H3,(H2,22,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Healthcare Limited Curated by ChEMBL					Assay Description Inhibition of bovine xanthine oxidase-mediated uric acid production after 30 mins by spectrophotometric analysis				Bioorg Med Chem Lett 23: 834-8 (2013) Article DOI: 10.1016/j.bmcl.2012.11.057 BindingDB Entry DOI: 10.7270/Q28W3FMN
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50426746 (CHEMBL2322163) Show SMILES Nc1nccc(n1)-c1ccc(OCC2CCC(CC2)C(O)=O)c(c1)C#N |(11.11,-13.05,;12.45,-12.28,;12.45,-10.74,;13.78,-9.97,;15.12,-10.73,;15.12,-12.28,;13.79,-13.05,;16.45,-13.05,;17.78,-12.28,;19.12,-13.04,;19.12,-14.59,;20.46,-15.36,;20.46,-16.9,;21.8,-17.66,;21.8,-19.21,;23.13,-19.97,;24.47,-19.2,;24.46,-17.65,;23.12,-16.89,;25.8,-19.96,;25.8,-21.48,;27.12,-19.19,;17.79,-15.36,;16.45,-14.59,;17.8,-16.9,;17.8,-18.44,)| Show InChI InChI=1S/C19H20N4O3/c20-10-15-9-14(16-7-8-22-19(21)23-16)5-6-17(15)26-11-12-1-3-13(4-2-12)18(24)25/h5-9,12-13H,1-4,11H2,(H,24,25)(H2,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Healthcare Limited Curated by ChEMBL					Assay Description Inhibition of bovine xanthine oxidase-mediated uric acid production after 30 mins by spectrophotometric analysis				Bioorg Med Chem Lett 23: 834-8 (2013) Article DOI: 10.1016/j.bmcl.2012.11.057 BindingDB Entry DOI: 10.7270/Q28W3FMN
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50426767 (CHEMBL2322171) Show SMILES Nc1nc(cc(=O)[nH]1)-c1ccc(OCc2ccc(F)cc2C(F)(F)F)c(c1)C#N Show InChI InChI=1S/C19H12F4N4O2/c20-13-3-1-11(14(6-13)19(21,22)23)9-29-16-4-2-10(5-12(16)8-24)15-7-17(28)27-18(25)26-15/h1-7H,9H2,(H3,25,26,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Healthcare Limited Curated by ChEMBL					Assay Description Inhibition of bovine xanthine oxidase-mediated uric acid production after 30 mins by spectrophotometric analysis				Bioorg Med Chem Lett 23: 834-8 (2013) Article DOI: 10.1016/j.bmcl.2012.11.057 BindingDB Entry DOI: 10.7270/Q28W3FMN
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50426743 (CHEMBL2322166) Show SMILES CC(C)C(C)Oc1ccc(cc1C#N)-c1cc(=O)[nH]c(N)n1 Show InChI InChI=1S/C16H18N4O2/c1-9(2)10(3)22-14-5-4-11(6-12(14)8-17)13-7-15(21)20-16(18)19-13/h4-7,9-10H,1-3H3,(H3,18,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Healthcare Limited Curated by ChEMBL					Assay Description Inhibition of bovine xanthine oxidase-mediated uric acid production after 30 mins by spectrophotometric analysis				Bioorg Med Chem Lett 23: 834-8 (2013) Article DOI: 10.1016/j.bmcl.2012.11.057 BindingDB Entry DOI: 10.7270/Q28W3FMN
					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))	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))	BDBM50005651 (CHEMBL3235427) Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1ncc(s1)-c1ccc(NC(=O)Nc2ccccc2F)cc1 |r,wU:6.9,wD:3.2,(47.51,-36.67,;46.7,-37.98,;47.43,-39.33,;45.16,-37.93,;44.43,-36.57,;42.89,-36.52,;42.09,-37.83,;42.81,-39.19,;44.35,-39.24,;40.55,-37.79,;39.74,-39.1,;40.47,-40.46,;38.2,-39.06,;37.33,-37.79,;35.85,-38.22,;35.81,-39.76,;37.26,-40.28,;34.54,-40.64,;33.21,-39.88,;31.88,-40.65,;31.88,-42.19,;30.54,-42.96,;29.21,-42.19,;29.21,-40.65,;27.87,-42.96,;26.54,-42.19,;26.55,-40.64,;25.22,-39.87,;23.88,-40.64,;23.89,-42.19,;25.22,-42.95,;25.22,-44.49,;33.21,-42.96,;34.55,-42.19,)| Show InChI InChI=1S/C24H23FN4O4S/c25-18-3-1-2-4-19(18)29-24(33)28-17-9-5-14(6-10-17)20-13-26-22(34-20)21(30)27-16-11-7-15(8-12-16)23(31)32/h1-6,9-10,13,15-16H,7-8,11-12H2,(H,27,30)(H,31,32)(H2,28,29,33)/t15-,16-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
VIT University Curated by ChEMBL					Assay Description Inhibition of human DGAT1 using 1,2-diacylglycerol/[14C]-oleoyl CoA as substrate assessed as [14C]-triglyceride formation after 10 mins by scintillat...				Eur J Med Chem 79: 203-15 (2014) Article DOI: 10.1016/j.ejmech.2014.03.077 BindingDB Entry DOI: 10.7270/Q23R0VCD
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50426762 (CHEMBL2322148) Show SMILES COC(=O)C(C)(C)COc1ccc(cc1C#N)-c1cc(=O)[nH]c(N)n1 Show InChI InChI=1S/C17H18N4O4/c1-17(2,15(23)24-3)9-25-13-5-4-10(6-11(13)8-18)12-7-14(22)21-16(19)20-12/h4-7H,9H2,1-3H3,(H3,19,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Healthcare Limited Curated by ChEMBL					Assay Description Inhibition of bovine xanthine oxidase-mediated uric acid production after 30 mins by spectrophotometric analysis				Bioorg Med Chem Lett 23: 834-8 (2013) Article DOI: 10.1016/j.bmcl.2012.11.057 BindingDB Entry DOI: 10.7270/Q28W3FMN
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50436846 (CHEMBL2403620) Show SMILES CC(C)[C@H](NC(=O)c1ncc(s1)-c1ccc(NC(=O)Nc2ccccc2Cl)cc1)C(O)=O |r| Show InChI InChI=1S/C22H21ClN4O4S/c1-12(2)18(21(29)30)27-19(28)20-24-11-17(32-20)13-7-9-14(10-8-13)25-22(31)26-16-6-4-3-5-15(16)23/h3-12,18H,1-2H3,(H,27,28)(H,29,30)(H2,25,26,31)/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Enterprises Limited Curated by ChEMBL					Assay Description Inhibition of human DGAT1 using [14C]-oleoylCoA/diolein as substrate assessed as formation of [14C]triglyceride after 10 mins by scintillation counti...				Eur J Med Chem 65: 337-47 (2013) Article DOI: 10.1016/j.ejmech.2013.05.006 BindingDB Entry DOI: 10.7270/Q2QJ7JPW
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50426741 (CHEMBL2322168) Show SMILES Nc1nc(cc(=O)[nH]1)-c1ccc(OCc2ccccc2)c(c1)C#N Show InChI InChI=1S/C18H14N4O2/c19-10-14-8-13(15-9-17(23)22-18(20)21-15)6-7-16(14)24-11-12-4-2-1-3-5-12/h1-9H,11H2,(H3,20,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD 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 Healthcare Limited Curated by ChEMBL					Assay Description Inhibition of bovine xanthine oxidase-mediated uric acid production after 30 mins by spectrophotometric analysis				Bioorg Med Chem Lett 23: 834-8 (2013) Article DOI: 10.1016/j.bmcl.2012.11.057 BindingDB Entry DOI: 10.7270/Q28W3FMN
					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
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50426765 (CHEMBL2322145) Show SMILES Nc1nc(cc(=O)[nH]1)-c1ccc(OCC2CCC2)c(c1)C#N Show InChI InChI=1S/C16H16N4O2/c17-8-12-6-11(13-7-15(21)20-16(18)19-13)4-5-14(12)22-9-10-2-1-3-10/h4-7,10H,1-3,9H2,(H3,18,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD 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 Healthcare Limited Curated by ChEMBL					Assay Description Inhibition of bovine xanthine oxidase-mediated uric acid production after 30 mins by spectrophotometric analysis				Bioorg Med Chem Lett 23: 834-8 (2013) Article DOI: 10.1016/j.bmcl.2012.11.057 BindingDB Entry DOI: 10.7270/Q28W3FMN
					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
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50426758 (CHEMBL2322152) Show SMILES COC(=O)C1CCC(COc2ccc(cc2C#N)-c2cc(=O)[nH]c(N)n2)CC1 |(39.78,-47.2,;41.12,-46.43,;41.12,-44.89,;42.45,-44.12,;39.78,-44.12,;38.44,-44.89,;37.12,-44.13,;37.12,-42.59,;35.79,-41.82,;35.78,-40.28,;34.45,-39.52,;34.44,-37.97,;33.1,-37.21,;31.78,-37.98,;31.78,-39.52,;33.11,-40.29,;33.12,-41.83,;33.12,-43.37,;30.45,-37.21,;30.44,-35.66,;29.11,-34.9,;29.1,-33.36,;27.78,-35.67,;27.78,-37.21,;26.44,-37.98,;29.11,-37.98,;38.44,-41.81,;39.78,-42.58,)| Show InChI InChI=1S/C20H22N4O4/c1-27-19(26)13-4-2-12(3-5-13)11-28-17-7-6-14(8-15(17)10-21)16-9-18(25)24-20(22)23-16/h6-9,12-13H,2-5,11H2,1H3,(H3,22,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Healthcare Limited Curated by ChEMBL					Assay Description Inhibition of bovine xanthine oxidase-mediated uric acid production after 30 mins by spectrophotometric analysis				Bioorg Med Chem Lett 23: 834-8 (2013) Article DOI: 10.1016/j.bmcl.2012.11.057 BindingDB Entry DOI: 10.7270/Q28W3FMN
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50426766 (CHEMBL2322144) Show SMILES CC(C)(C)c1ccc(COc2ccc(cc2C#N)-c2cc(=O)[nH]c(N)n2)cc1 Show InChI InChI=1S/C22H22N4O2/c1-22(2,3)17-7-4-14(5-8-17)13-28-19-9-6-15(10-16(19)12-23)18-11-20(27)26-21(24)25-18/h4-11H,13H2,1-3H3,(H3,24,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Healthcare Limited Curated by ChEMBL					Assay Description Inhibition of bovine xanthine oxidase-mediated uric acid production after 30 mins by spectrophotometric analysis				Bioorg Med Chem Lett 23: 834-8 (2013) Article DOI: 10.1016/j.bmcl.2012.11.057 BindingDB Entry DOI: 10.7270/Q28W3FMN
					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))	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
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM50402272 (CHEMBL2205509) Show SMILES CC(C)COc1ccc(cc1C#N)-c1cc(=O)[nH]c(N)n1 Show InChI InChI=1S/C15H16N4O2/c1-9(2)8-21-13-4-3-10(5-11(13)7-16)12-6-14(20)19-15(17)18-12/h3-6,9H,8H2,1-2H3,(H3,17,18,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Healthcare Limited Curated by ChEMBL					Assay Description Inhibition of xanthine oxidase using xanthine as substrate at 30 mins by spectrophotometric analysis				Bioorg Med Chem Lett 22: 7543-6 (2012) Article DOI: 10.1016/j.bmcl.2012.10.029 BindingDB Entry DOI: 10.7270/Q2445NNH
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50005652 (CHEMBL3235428) Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1ncc(s1)-c1ccc(NC(=O)Nc2ccccc2Cl)cc1 |r,wU:6.9,wD:3.2,(70.47,-38.11,;69.66,-39.41,;70.39,-40.77,;68.12,-39.37,;67.39,-38.01,;65.84,-37.96,;65.05,-39.27,;65.77,-40.63,;67.3,-40.67,;63.51,-39.23,;62.7,-40.54,;63.43,-41.9,;61.16,-40.5,;60.29,-39.23,;58.81,-39.66,;58.77,-41.2,;60.22,-41.72,;57.5,-42.08,;56.17,-41.31,;54.84,-42.08,;54.83,-43.63,;53.5,-44.4,;52.17,-43.63,;52.17,-42.09,;50.83,-44.4,;49.5,-43.62,;49.51,-42.08,;48.18,-41.31,;46.84,-42.08,;46.85,-43.63,;48.18,-44.39,;48.18,-45.93,;56.17,-44.4,;57.51,-43.63,)| Show InChI InChI=1S/C24H23ClN4O4S/c25-18-3-1-2-4-19(18)29-24(33)28-17-9-5-14(6-10-17)20-13-26-22(34-20)21(30)27-16-11-7-15(8-12-16)23(31)32/h1-6,9-10,13,15-16H,7-8,11-12H2,(H,27,30)(H,31,32)(H2,28,29,33)/t15-,16-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL 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
VIT University Curated by ChEMBL					Assay Description Inhibition of human DGAT1 using 1,2-diacylglycerol/[14C]-oleoyl CoA as substrate assessed as [14C]-triglyceride formation after 10 mins by scintillat...				Eur J Med Chem 79: 203-15 (2014) Article DOI: 10.1016/j.ejmech.2014.03.077 BindingDB Entry DOI: 10.7270/Q23R0VCD
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50436845 (CHEMBL2403621) Show SMILES CC(C)[C@H](NC(=O)c1ncc(s1)-c1ccc(NC(=O)Nc2ccc(C)c(C)c2)cc1)C(O)=O |r| Show InChI InChI=1S/C24H26N4O4S/c1-13(2)20(23(30)31)28-21(29)22-25-12-19(33-22)16-6-9-17(10-7-16)26-24(32)27-18-8-5-14(3)15(4)11-18/h5-13,20H,1-4H3,(H,28,29)(H,30,31)(H2,26,27,32)/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Enterprises Limited Curated by ChEMBL					Assay Description Inhibition of human DGAT1 using [14C]-oleoylCoA/diolein as substrate assessed as formation of [14C]triglyceride after 10 mins by scintillation counti...				Eur J Med Chem 65: 337-47 (2013) Article DOI: 10.1016/j.ejmech.2013.05.006 BindingDB Entry DOI: 10.7270/Q2QJ7JPW
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50320491 (2-(3-CYANO-4-ISOBUTOXY-PHENYL)-4-METHYL-5-THIAZOLE...) Show SMILES CC(C)COc1ccc(cc1C#N)-c1nc(C)c(s1)C(O)=O Show InChI InChI=1S/C16H16N2O3S/c1-9(2)8-21-13-5-4-11(6-12(13)7-17)15-18-10(3)14(22-15)16(19)20/h4-6,9H,8H2,1-3H3,(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents	MMDB PDB Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Healthcare Limited Curated by ChEMBL					Assay Description Inhibition of bovine xanthine oxidase-mediated uric acid production after 30 mins by spectrophotometric analysis				Bioorg Med Chem Lett 23: 834-8 (2013) Article DOI: 10.1016/j.bmcl.2012.11.057 BindingDB Entry DOI: 10.7270/Q28W3FMN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50436847 (CHEMBL2403619) Show SMILES CC(C)[C@H](NC(=O)c1ncc(s1)-c1ccc(NC(=O)Nc2cccc(c2)C(F)(F)F)cc1)C(O)=O |r| Show InChI InChI=1S/C23H21F3N4O4S/c1-12(2)18(21(32)33)30-19(31)20-27-11-17(35-20)13-6-8-15(9-7-13)28-22(34)29-16-5-3-4-14(10-16)23(24,25)26/h3-12,18H,1-2H3,(H,30,31)(H,32,33)(H2,28,29,34)/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Enterprises Limited Curated by ChEMBL					Assay Description Inhibition of human DGAT1 using [14C]-oleoylCoA/diolein as substrate assessed as formation of [14C]triglyceride after 10 mins by scintillation counti...				Eur J Med Chem 65: 337-47 (2013) Article DOI: 10.1016/j.ejmech.2013.05.006 BindingDB Entry DOI: 10.7270/Q2QJ7JPW
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50436844 (CHEMBL2403622) Show SMILES CC(C)[C@H](NC(=O)c1ncc(s1)-c1ccc(NC(=O)Nc2ccccc2Oc2ccccc2)cc1)C(O)=O |r| Show InChI InChI=1S/C28H26N4O5S/c1-17(2)24(27(34)35)32-25(33)26-29-16-23(38-26)18-12-14-19(15-13-18)30-28(36)31-21-10-6-7-11-22(21)37-20-8-4-3-5-9-20/h3-17,24H,1-2H3,(H,32,33)(H,34,35)(H2,30,31,36)/t24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Enterprises Limited Curated by ChEMBL					Assay Description Inhibition of human DGAT1 using [14C]-oleoylCoA/diolein as substrate assessed as formation of [14C]triglyceride after 10 mins by scintillation counti...				Eur J Med Chem 65: 337-47 (2013) Article DOI: 10.1016/j.ejmech.2013.05.006 BindingDB Entry DOI: 10.7270/Q2QJ7JPW
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50436842 (CHEMBL2403624) Show SMILES CC(C)[C@H](NC(=O)c1ncc(s1)-c1ccc(NC(=O)c2ccc(cc2)C(C)(C)C)cc1)C(O)=O |r| Show InChI InChI=1S/C26H29N3O4S/c1-15(2)21(25(32)33)29-23(31)24-27-14-20(34-24)16-8-12-19(13-9-16)28-22(30)17-6-10-18(11-7-17)26(3,4)5/h6-15,21H,1-5H3,(H,28,30)(H,29,31)(H,32,33)/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Enterprises Limited Curated by ChEMBL					Assay Description Inhibition of human DGAT1 using [14C]-oleoylCoA/diolein as substrate assessed as formation of [14C]triglyceride after 10 mins by scintillation counti...				Eur J Med Chem 65: 337-47 (2013) Article DOI: 10.1016/j.ejmech.2013.05.006 BindingDB Entry DOI: 10.7270/Q2QJ7JPW
					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))	BDBM50005654 (CHEMBL3235430) Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1ncc(s1)-c1ccc(NC(=O)Nc2cc(F)c(F)cc2F)cc1 |r,wU:6.9,wD:3.2,(48.29,-50.11,;47.48,-51.42,;48.2,-52.78,;45.94,-51.37,;45.21,-50.02,;43.66,-49.97,;42.86,-51.28,;43.59,-52.64,;45.12,-52.68,;41.33,-51.24,;40.52,-52.55,;41.25,-53.9,;38.98,-52.51,;38.11,-51.24,;36.63,-51.67,;36.59,-53.21,;38.04,-53.73,;35.32,-54.09,;33.98,-53.32,;32.66,-54.09,;32.65,-55.64,;31.32,-56.41,;29.99,-55.64,;29.99,-54.1,;28.65,-56.4,;27.32,-55.63,;27.33,-54.09,;26,-53.32,;26,-51.78,;24.66,-54.09,;23.33,-53.32,;24.67,-55.64,;26,-56.4,;26,-57.94,;33.99,-56.41,;35.32,-55.64,)| Show InChI InChI=1S/C24H21F3N4O4S/c25-16-9-18(27)19(10-17(16)26)31-24(35)30-15-5-1-12(2-6-15)20-11-28-22(36-20)21(32)29-14-7-3-13(4-8-14)23(33)34/h1-2,5-6,9-11,13-14H,3-4,7-8H2,(H,29,32)(H,33,34)(H2,30,31,35)/t13-,14-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
VIT University Curated by ChEMBL					Assay Description Inhibition of human DGAT1 using 1,2-diacylglycerol/[14C]-oleoyl CoA as substrate assessed as [14C]-triglyceride formation after 10 mins by scintillat...				Eur J Med Chem 79: 203-15 (2014) Article DOI: 10.1016/j.ejmech.2014.03.077 BindingDB Entry DOI: 10.7270/Q23R0VCD
					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
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM50320491 (2-(3-CYANO-4-ISOBUTOXY-PHENYL)-4-METHYL-5-THIAZOLE...) Show SMILES CC(C)COc1ccc(cc1C#N)-c1nc(C)c(s1)C(O)=O Show InChI InChI=1S/C16H16N2O3S/c1-9(2)8-21-13-5-4-11(6-12(13)7-17)15-18-10(3)14(22-15)16(19)20/h4-6,9H,8H2,1-3H3,(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents	MMDB PDB Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Healthcare Limited Curated by ChEMBL					Assay Description Inhibition of xanthine oxidase using xanthine as substrate at 30 mins by spectrophotometric analysis				Bioorg Med Chem Lett 22: 7543-6 (2012) Article DOI: 10.1016/j.bmcl.2012.10.029 BindingDB Entry DOI: 10.7270/Q2445NNH
					More data for this Ligand-Target Pair				3D Structure (crystal)
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))	BDBM50005649 (CHEMBL3235425) Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1ncc(s1)-c1ccc(NC(=O)Nc2cc(F)cc(F)c2)cc1 |r,wU:6.9,wD:3.2,(47.51,-36.67,;46.7,-37.98,;47.43,-39.33,;45.16,-37.93,;44.43,-36.57,;42.89,-36.52,;42.09,-37.83,;42.81,-39.19,;44.35,-39.24,;40.55,-37.79,;39.74,-39.1,;40.47,-40.46,;38.2,-39.06,;37.33,-37.79,;35.85,-38.22,;35.81,-39.76,;37.26,-40.28,;34.54,-40.64,;33.21,-39.88,;31.88,-40.65,;31.88,-42.19,;30.54,-42.96,;29.21,-42.19,;29.21,-40.65,;27.87,-42.96,;26.54,-42.19,;25.22,-42.95,;23.89,-42.19,;22.54,-42.97,;23.88,-40.64,;25.22,-39.87,;25.22,-38.32,;26.55,-40.64,;33.21,-42.96,;34.55,-42.19,)| Show InChI InChI=1S/C24H22F2N4O4S/c25-15-9-16(26)11-19(10-15)30-24(34)29-18-5-1-13(2-6-18)20-12-27-22(35-20)21(31)28-17-7-3-14(4-8-17)23(32)33/h1-2,5-6,9-12,14,17H,3-4,7-8H2,(H,28,31)(H,32,33)(H2,29,30,34)/t14-,17-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
VIT University Curated by ChEMBL					Assay Description Inhibition of human DGAT1 using 1,2-diacylglycerol/[14C]-oleoyl CoA as substrate assessed as [14C]-triglyceride formation after 10 mins by scintillat...				Eur J Med Chem 79: 203-15 (2014) Article DOI: 10.1016/j.ejmech.2014.03.077 BindingDB Entry DOI: 10.7270/Q23R0VCD
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50386149 (CHEMBL2042351) Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)-c1ccc(Nc2nc3ccc(F)cc3s2)cc1)C(O)=O |r| Show InChI InChI=1S/C25H22FN3O3S/c1-14(2)22(24(31)32)29-23(30)17-5-3-15(4-6-17)16-7-10-19(11-8-16)27-25-28-20-12-9-18(26)13-21(20)33-25/h3-14,22H,1-2H3,(H,27,28)(H,29,30)(H,31,32)/t22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Enterprises Limited Curated by ChEMBL					Assay Description Inhibition of human DGAT1				Eur J Med Chem 65: 337-47 (2013) Article DOI: 10.1016/j.ejmech.2013.05.006 BindingDB Entry DOI: 10.7270/Q2QJ7JPW
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50436841 (CHEMBL2403625) Show SMILES CC(C)[C@H](NC(=O)c1ncc(s1)-c1ccc(NC(=O)CCC2CCCCC2)cc1)C(O)=O |r| Show InChI InChI=1S/C24H31N3O4S/c1-15(2)21(24(30)31)27-22(29)23-25-14-19(32-23)17-9-11-18(12-10-17)26-20(28)13-8-16-6-4-3-5-7-16/h9-12,14-16,21H,3-8,13H2,1-2H3,(H,26,28)(H,27,29)(H,30,31)/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Enterprises Limited Curated by ChEMBL					Assay Description Inhibition of human DGAT1 using [14C]-oleoylCoA/diolein as substrate assessed as formation of [14C]triglyceride after 10 mins by scintillation counti...				Eur J Med Chem 65: 337-47 (2013) Article DOI: 10.1016/j.ejmech.2013.05.006 BindingDB Entry DOI: 10.7270/Q2QJ7JPW
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50005653 (CHEMBL3235429) Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1ncc(s1)-c1ccc(NC(=O)Nc2ccc(F)cc2F)cc1 |r,wU:6.9,wD:3.2,(25.13,-47.8,;24.31,-49.11,;25.04,-50.47,;22.78,-49.06,;22.05,-47.71,;20.5,-47.66,;19.7,-48.97,;20.43,-50.33,;21.96,-50.37,;18.16,-48.93,;17.36,-50.24,;18.09,-51.59,;15.82,-50.2,;14.95,-48.93,;13.47,-49.36,;13.43,-50.9,;14.88,-51.42,;12.16,-51.78,;10.82,-51.01,;9.49,-51.78,;9.49,-53.33,;8.16,-54.1,;6.82,-53.33,;6.83,-51.79,;5.49,-54.09,;4.16,-53.32,;4.17,-51.78,;2.84,-51.01,;1.5,-51.78,;.17,-51.01,;1.5,-53.33,;2.84,-54.09,;2.84,-55.63,;10.83,-54.1,;12.16,-53.33,)| Show InChI InChI=1S/C24H22F2N4O4S/c25-15-5-10-19(18(26)11-15)30-24(34)29-17-6-1-13(2-7-17)20-12-27-22(35-20)21(31)28-16-8-3-14(4-9-16)23(32)33/h1-2,5-7,10-12,14,16H,3-4,8-9H2,(H,28,31)(H,32,33)(H2,29,30,34)/t14-,16-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
VIT University Curated by ChEMBL					Assay Description Inhibition of human DGAT1 using 1,2-diacylglycerol/[14C]-oleoyl CoA as substrate assessed as [14C]-triglyceride formation after 10 mins by scintillat...				Eur J Med Chem 79: 203-15 (2014) Article DOI: 10.1016/j.ejmech.2014.03.077 BindingDB Entry DOI: 10.7270/Q23R0VCD
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50436839 (CHEMBL2403627) Show SMILES CCCCc1ccc(nc1)C(=O)Nc1ccc(cc1)-c1cnc(s1)C(=O)N[C@@H](C(C)C)C(O)=O |r| Show InChI InChI=1S/C25H28N4O4S/c1-4-5-6-16-7-12-19(26-13-16)22(30)28-18-10-8-17(9-11-18)20-14-27-24(34-20)23(31)29-21(15(2)3)25(32)33/h7-15,21H,4-6H2,1-3H3,(H,28,30)(H,29,31)(H,32,33)/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Enterprises Limited Curated by ChEMBL					Assay Description Inhibition of human DGAT1 using [14C]-oleoylCoA/diolein as substrate assessed as formation of [14C]triglyceride after 10 mins by scintillation counti...				Eur J Med Chem 65: 337-47 (2013) Article DOI: 10.1016/j.ejmech.2013.05.006 BindingDB Entry DOI: 10.7270/Q2QJ7JPW
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50426748 (CHEMBL2322161) Show SMILES Nc1nccc(n1)-c1ccc(OCC2CCCCC2)c(c1)C#N Show InChI InChI=1S/C18H20N4O/c19-11-15-10-14(16-8-9-21-18(20)22-16)6-7-17(15)23-12-13-4-2-1-3-5-13/h6-10,13H,1-5,12H2,(H2,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Piramal Healthcare Limited Curated by ChEMBL					Assay Description Inhibition of bovine xanthine oxidase-mediated uric acid production after 30 mins by spectrophotometric analysis				Bioorg Med Chem Lett 23: 834-8 (2013) Article DOI: 10.1016/j.bmcl.2012.11.057 BindingDB Entry DOI: 10.7270/Q28W3FMN
					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))	BDBM50005655 (CHEMBL3235431) Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1ncc(s1)-c1ccc(NC(=O)Nc2ccccc2)cc1 |r,wU:6.9,wD:3.2,(71.08,-51.02,;70.26,-52.33,;70.99,-53.69,;68.73,-52.28,;68,-50.93,;66.45,-50.88,;65.65,-52.19,;66.38,-53.55,;67.91,-53.59,;64.11,-52.15,;63.31,-53.46,;64.04,-54.81,;61.77,-53.42,;60.9,-52.15,;59.42,-52.58,;59.38,-54.12,;60.83,-54.64,;58.11,-55,;56.77,-54.23,;55.44,-55,;55.44,-56.55,;54.11,-57.32,;52.77,-56.55,;52.78,-55.01,;51.44,-57.31,;50.11,-56.54,;50.12,-55,;48.79,-54.23,;47.45,-55,;47.45,-56.55,;48.79,-57.31,;56.78,-57.32,;58.11,-56.55,)| Show InChI InChI=1S/C24H24N4O4S/c29-21(26-18-12-8-16(9-13-18)23(30)31)22-25-14-20(33-22)15-6-10-19(11-7-15)28-24(32)27-17-4-2-1-3-5-17/h1-7,10-11,14,16,18H,8-9,12-13H2,(H,26,29)(H,30,31)(H2,27,28,32)/t16-,18-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
VIT University Curated by ChEMBL					Assay Description Inhibition of human DGAT1 using 1,2-diacylglycerol/[14C]-oleoyl CoA as substrate assessed as [14C]-triglyceride formation after 10 mins by scintillat...				Eur J Med Chem 79: 203-15 (2014) Article DOI: 10.1016/j.ejmech.2014.03.077 BindingDB Entry DOI: 10.7270/Q23R0VCD
					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))	BDBM50436843 (CHEMBL2403623) Show SMILES CC(C)[C@H](NC(=O)c1ncc(s1)-c1ccc(NC(=O)Nc2ccc(Cl)cc2Oc2ccccc2)cc1)C(O)=O |r| Show InChI InChI=1S/C28H25ClN4O5S/c1-16(2)24(27(35)36)33-25(34)26-30-15-23(39-26)17-8-11-19(12-9-17)31-28(37)32-21-13-10-18(29)14-22(21)38-20-6-4-3-5-7-20/h3-16,24H,1-2H3,(H,33,34)(H,35,36)(H2,31,32,37)/t24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL 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
Piramal Enterprises Limited Curated by ChEMBL					Assay Description Inhibition of human DGAT1 using [14C]-oleoylCoA/diolein as substrate assessed as formation of [14C]triglyceride after 10 mins by scintillation counti...				Eur J Med Chem 65: 337-47 (2013) Article DOI: 10.1016/j.ejmech.2013.05.006 BindingDB Entry DOI: 10.7270/Q2QJ7JPW
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 136 total )  |  Next  |  Last  >>

Jump to: