Compile Data Set for Download or QSAR

Found 94 hits with Last Name = 'brahma' and Initial = 'mk'   

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))	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
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))	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
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
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))	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
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))	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))	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))	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))	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
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))	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))	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))	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
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))	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
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))	BDBM50436840 (CHEMBL2403626) Show SMILES CC(C)[C@H](NC(=O)c1ncc(s1)-c1ccc(NC(=O)C2CCC(F)(F)CC2)cc1)C(O)=O |r| Show InChI InChI=1S/C22H25F2N3O4S/c1-12(2)17(21(30)31)27-19(29)20-25-11-16(32-20)13-3-5-15(6-4-13)26-18(28)14-7-9-22(23,24)10-8-14/h3-6,11-12,14,17H,7-10H2,1-2H3,(H,26,28)(H,27,29)(H,30,31)/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	82	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))	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))	BDBM50436838 (CHEMBL2403628) Show SMILES CC(C)[C@H](NC(=O)c1ncc(s1)-c1ccc(NC(=O)c2ccc(cc2)C(C)(C)C#N)cc1)C(O)=O |r| Show InChI InChI=1S/C26H26N4O4S/c1-15(2)21(25(33)34)30-23(32)24-28-13-20(35-24)16-7-11-19(12-8-16)29-22(31)17-5-9-18(10-6-17)26(3,4)14-27/h5-13,15,21H,1-4H3,(H,29,31)(H,30,32)(H,33,34)/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	97	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))	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
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50436837 (CHEMBL2403629) Show SMILES CCC(CC)(C#N)c1ccc(cc1)C(=O)Nc1ccc(cc1)-c1cnc(s1)C(=O)N[C@@H](C(C)C)C(O)=O |r| Show InChI InChI=1S/C28H30N4O4S/c1-5-28(6-2,16-29)20-11-7-19(8-12-20)24(33)31-21-13-9-18(10-14-21)22-15-30-26(37-22)25(34)32-23(17(3)4)27(35)36/h7-15,17,23H,5-6H2,1-4H3,(H,31,33)(H,32,34)(H,35,36)/t23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	101	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 (Homo sapiens (Human))	BDBM50402273 (CHEMBL2205508) Show SMILES CC(C)COc1ccc(cc1[N+]([O-])=O)-c1cc(=O)[nH]c(N)n1 Show InChI InChI=1S/C14H16N4O4/c1-8(2)7-22-12-4-3-9(5-11(12)18(20)21)10-6-13(19)17-14(15)16-10/h3-6,8H,7H2,1-2H3,(H3,15,16,17,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	140	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
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM50402280 (CHEMBL2205501) Show SMILES Nc1nc(cc(=O)[nH]1)-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C16H13N3O/c17-16-18-14(10-15(20)19-16)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-10H,(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	310	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
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM50402288 (CHEMBL2205498) Show SMILES CC(C)COc1ccc(cc1)-c1cc(=O)[nH]c(N)n1 Show InChI InChI=1S/C14H17N3O2/c1-9(2)8-19-11-5-3-10(4-6-11)12-7-13(18)17-14(15)16-12/h3-7,9H,8H2,1-2H3,(H3,15,16,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	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
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM50402274 (CHEMBL2205507) Show SMILES COc1cc(ccc1OCC(C)C)-c1cc(=O)[nH]c(N)n1 Show InChI InChI=1S/C15H19N3O3/c1-9(2)8-21-12-5-4-10(6-13(12)20-3)11-7-14(19)18-15(16)17-11/h4-7,9H,8H2,1-3H3,(H3,16,17,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	950	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
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50381872 (CHEMBL2022883) Show SMILES COc1ccc(cc1OC)-c1cc(=S)[nH]c(N)n1 Show InChI InChI=1S/C12H13N3O2S/c1-16-9-4-3-7(5-10(9)17-2)8-6-11(18)15-12(13)14-8/h3-6H,1-2H3,(H3,13,14,15,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40E+3	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 assessed as uric acid formation using xanthine as substrate after 30 mins by spectrophotometric analysis				Bioorg Med Chem 20: 2930-9 (2012) Article DOI: 10.1016/j.bmc.2012.03.019 BindingDB Entry DOI: 10.7270/Q2Z320NM
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM50402284 (CHEMBL2205495) Show SMILES CCCCSc1ccc(cc1)-c1cc(=O)[nH]c(N)n1 Show InChI InChI=1S/C14H17N3OS/c1-2-3-8-19-11-6-4-10(5-7-11)12-9-13(18)17-14(15)16-12/h4-7,9H,2-3,8H2,1H3,(H3,15,16,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.63E+3	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
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM50402275 (CHEMBL2205506) Show SMILES CC(C)COc1ccc(cc1C(N)=O)-c1cc(=O)[nH]c(N)n1 Show InChI InChI=1S/C15H18N4O3/c1-8(2)7-22-12-4-3-9(5-10(12)14(16)21)11-6-13(20)19-15(17)18-11/h3-6,8H,7H2,1-2H3,(H2,16,21)(H3,17,18,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.92E+3	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
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM50402287 (CHEMBL2205497) Show SMILES CCCCOc1ccc(cc1)-c1cc(=O)[nH]c(N)n1 Show InChI InChI=1S/C14H17N3O2/c1-2-3-8-19-11-6-4-10(5-7-11)12-9-13(18)17-14(15)16-12/h4-7,9H,2-3,8H2,1H3,(H3,15,16,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+3	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
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM50402286 (CHEMBL2205496) Show SMILES CC(C)Sc1ccc(cc1)-c1cc(=O)[nH]c(N)n1 Show InChI InChI=1S/C13H15N3OS/c1-8(2)18-10-5-3-9(4-6-10)11-7-12(17)16-13(14)15-11/h3-8H,1-2H3,(H3,14,15,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.44E+3	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
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM50402278 (CHEMBL2205503) Show SMILES Nc1nc(cc(=O)[nH]1)-c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C16H13N3O2/c17-16-18-14(10-15(20)19-16)11-6-8-13(9-7-11)21-12-4-2-1-3-5-12/h1-10H,(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	2.47E+3	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
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM50402281 (CHEMBL2205502) Show SMILES Nc1nc(cc(=O)[nH]1)-c1ccc(Cc2ccccc2)cc1 Show InChI InChI=1S/C17H15N3O/c18-17-19-15(11-16(21)20-17)14-8-6-13(7-9-14)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H3,18,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.65E+3	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
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM35440 (ALLOPURINOL | MLS000069453 | SMR000059083 | cid_20...) Show SMILES O=c1[nH]cnc2n[nH]cc12 Show InChI InChI=1S/C5H4N4O/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2H,(H2,6,7,8,9,10)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.19E+3	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
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM50402283 (CHEMBL2205494) Show SMILES CC(C)Cc1ccc(cc1)-c1cc(=O)[nH]c(N)n1 Show InChI InChI=1S/C14H17N3O/c1-9(2)7-10-3-5-11(6-4-10)12-8-13(18)17-14(15)16-12/h3-6,8-9H,7H2,1-2H3,(H3,15,16,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.95E+3	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
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM35440 (ALLOPURINOL | MLS000069453 | SMR000059083 | cid_20...) Show SMILES O=c1[nH]cnc2n[nH]cc12 Show InChI InChI=1S/C5H4N4O/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2H,(H2,6,7,8,9,10)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.70E+3	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 assessed as uric acid formation using xanthine as substrate after 30 mins by spectrophotometric analysis				Bioorg Med Chem 20: 2930-9 (2012) Article DOI: 10.1016/j.bmc.2012.03.019 BindingDB Entry DOI: 10.7270/Q2Z320NM
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM50402276 (CHEMBL2205505) Show SMILES CC(C)COc1ccc(cc1N)-c1cc(=O)[nH]c(N)n1 Show InChI InChI=1S/C14H18N4O2/c1-8(2)7-20-12-4-3-9(5-10(12)15)11-6-13(19)18-14(16)17-11/h3-6,8H,7,15H2,1-2H3,(H3,16,17,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.72E+3	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
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM50402285 (CHEMBL2205499) Show SMILES Nc1nc(cc(=O)[nH]1)-c1ccc(OCCCO)cc1 Show InChI InChI=1S/C13H15N3O3/c14-13-15-11(8-12(18)16-13)9-2-4-10(5-3-9)19-7-1-6-17/h2-5,8,17H,1,6-7H2,(H3,14,15,16,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.24E+3	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
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50381870 (CHEMBL2022881) Show SMILES COc1ccc(cc1)-c1cc(=O)[nH]c(N)n1 Show InChI InChI=1S/C11H11N3O2/c1-16-8-4-2-7(3-5-8)9-6-10(15)14-11(12)13-9/h2-6H,1H3,(H3,12,13,14,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.40E+3	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 assessed as uric acid formation using xanthine as substrate after 30 mins by spectrophotometric analysis				Bioorg Med Chem 20: 2930-9 (2012) Article DOI: 10.1016/j.bmc.2012.03.019 BindingDB Entry DOI: 10.7270/Q2Z320NM
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Homo sapiens (Human))	BDBM50402279 (CHEMBL2205500) Show SMILES Nc1nc(cc(=O)[nH]1)-c1ccc(cc1)N1CCOCC1 Show InChI InChI=1S/C14H16N4O2/c15-14-16-12(9-13(19)17-14)10-1-3-11(4-2-10)18-5-7-20-8-6-18/h1-4,9H,5-8H2,(H3,15,16,17,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.65E+4	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

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