Compile Data Set for Download or QSAR

Found 36 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 2064   

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))	BDBM321150 (US10174049, Example 17 | US9738658, Example 17 | U...) Show SMILES Nc1ncnc2OCCN(c3ccc4n(ccc4c3)-c3ccccc3OC3CCCC3)C(=O)c12 Show InChI InChI=1S/C26H25N5O3/c27-24-23-25(29-16-28-24)33-14-13-30(26(23)32)18-9-10-20-17(15-18)11-12-31(20)21-7-3-4-8-22(21)34-19-5-1-2-6-19/h3-4,7-12,15-16,19H,1-2,5-6,13-14H2,(H2,27,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
GLAXOSMITHKLINE LLC US Patent					Assay Description For inhibition of triacylglycerol product formation, 11 uL reactions were run in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute p...				US Patent US9796729 (2017) BindingDB Entry DOI: 10.7270/Q2057J2H
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM351918 (4-Amino-6-(1-(3-(trifluoromethoxy)phenyl)-1H-indol...) Show SMILES Nc1ncnc2OCCN(c3ccc4n(ccc4c3)-c3cccc(OC(F)(F)F)c3)C(=O)c12 Show InChI InChI=1S/C22H16F3N5O3/c23-22(24,25)33-16-3-1-2-14(11-16)29-7-6-13-10-15(4-5-17(13)29)30-8-9-32-20-18(21(30)31)19(26)27-12-28-20/h1-7,10-12H,8-9H2,(H2,26,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
GLAXOSMITHKLINE LLC US Patent					Assay Description For inhibition of triacylglycerol product formation, 11 uL reactions were run in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute p...				US Patent US9796729 (2017) BindingDB Entry DOI: 10.7270/Q2057J2H
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM321161 (US10174049, Example 28 | US10385066, Example 28 | ...) Show SMILES COc1c(Cl)cccc1-n1ccc2cc(ccc12)N1CCOc2ncnc(N)c2C1=O Show InChI InChI=1S/C22H18ClN5O3/c1-30-19-15(23)3-2-4-17(19)28-8-7-13-11-14(5-6-16(13)28)27-9-10-31-21-18(22(27)29)20(24)25-12-26-21/h2-8,11-12H,9-10H2,1H3,(H2,24,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
GLAXOSMITHKLINE LLC US Patent					Assay Description For inhibition of triacylglycerol product formation, 11 uL reactions were run in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute p...				US Patent US9796729 (2017) BindingDB Entry DOI: 10.7270/Q2057J2H
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM321145 (US10174049, Example 12 | US9738658, Example 12 | U...) Show SMILES Nc1ncnc2OCCN(c3ccc4n(ccc4c3)-c3cccc(Cl)c3Cl)C(=O)c12 Show InChI InChI=1S/C21H15Cl2N5O2/c22-14-2-1-3-16(18(14)23)28-7-6-12-10-13(4-5-15(12)28)27-8-9-30-20-17(21(27)29)19(24)25-11-26-20/h1-7,10-11H,8-9H2,(H2,24,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
GLAXOSMITHKLINE LLC US Patent					Assay Description For inhibition of triacylglycerol product formation, 11 uL reactions were run in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute p...				US Patent US9796729 (2017) BindingDB Entry DOI: 10.7270/Q2057J2H
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM321155 (US10174049, Example 22 | US10385066, Example 22 | ...) Show SMILES CCCn1ccc2cc(cc(C3CC3)c12)N1CCOc2ncnc(N)c2C1=O Show InChI InChI=1S/C21H23N5O2/c1-2-6-25-7-5-14-10-15(11-16(18(14)25)13-3-4-13)26-8-9-28-20-17(21(26)27)19(22)23-12-24-20/h5,7,10-13H,2-4,6,8-9H2,1H3,(H2,22,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
GLAXOSMITHKLINE LLC US Patent					Assay Description For inhibition of triacylglycerol product formation, 11 uL reactions were run in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute p...				US Patent US9796729 (2017) BindingDB Entry DOI: 10.7270/Q2057J2H
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM321169 (US10174049, Example 36 | US9738658, Example 36 | U...) Show SMILES COc1cccc(c1Br)-n1ccc2cc(ccc12)N1CCOc2ncnc(N)c2C1=O Show InChI InChI=1S/C22H18BrN5O3/c1-30-17-4-2-3-16(19(17)23)28-8-7-13-11-14(5-6-15(13)28)27-9-10-31-21-18(22(27)29)20(24)25-12-26-21/h2-8,11-12H,9-10H2,1H3,(H2,24,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
GLAXOSMITHKLINE LLC US Patent					Assay Description For inhibition of triacylglycerol product formation, 11 uL reactions were run in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute p...				US Patent US9796729 (2017) BindingDB Entry DOI: 10.7270/Q2057J2H
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM321166 (US10174049, Example 33 | US10385066, Example 33 | ...) Show SMILES CCc1ccccc1-n1ccc2cc(ccc12)N1CCOc2ncnc(N)c2C1=O Show InChI InChI=1S/C23H21N5O2/c1-2-15-5-3-4-6-18(15)28-10-9-16-13-17(7-8-19(16)28)27-11-12-30-22-20(23(27)29)21(24)25-14-26-22/h3-10,13-14H,2,11-12H2,1H3,(H2,24,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
GLAXOSMITHKLINE LLC US Patent					Assay Description For inhibition of triacylglycerol product formation, 11 uL reactions were run in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute p...				US Patent US9796729 (2017) BindingDB Entry DOI: 10.7270/Q2057J2H
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM351925 (US9796729, 8) Show SMILES CC(C)COc1ccccc1-n1ccc2cc(ccc12)N1CCOc2ncnc(N)c2C1=O Show InChI InChI=1S/C25H25N5O3/c1-16(2)14-33-21-6-4-3-5-20(21)30-10-9-17-13-18(7-8-19(17)30)29-11-12-32-24-22(25(29)31)23(26)27-15-28-24/h3-10,13,15-16H,11-12,14H2,1-2H3,(H2,26,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
GLAXOSMITHKLINE LLC US Patent					Assay Description For inhibition of triacylglycerol product formation, 11 uL reactions were run in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute p...				US Patent US9796729 (2017) BindingDB Entry DOI: 10.7270/Q2057J2H
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM351924 (US9796729, 7) Show SMILES Nc1ncnc2OCCN(c3ccc4n(ccc4c3)-c3ccccc3OC(F)F)C(=O)c12 Show InChI InChI=1S/C22H17F2N5O3/c23-22(24)32-17-4-2-1-3-16(17)29-8-7-13-11-14(5-6-15(13)29)28-9-10-31-20-18(21(28)30)19(25)26-12-27-20/h1-8,11-12,22H,9-10H2,(H2,25,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
GLAXOSMITHKLINE LLC US Patent					Assay Description For inhibition of triacylglycerol product formation, 11 uL reactions were run in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute p...				US Patent US9796729 (2017) BindingDB Entry DOI: 10.7270/Q2057J2H
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM351950 (US10385066, Example 26 | US9796729, 26) Show SMILES Cc1ccc(cn1)-n1ccc2cc(cc(C3CC3)c12)N1CCOc2ncnc(N)c2C1=O Show InChI InChI=1S/C24H22N6O2/c1-14-2-5-17(12-26-14)29-7-6-16-10-18(11-19(21(16)29)15-3-4-15)30-8-9-32-23-20(24(30)31)22(25)27-13-28-23/h2,5-7,10-13,15H,3-4,8-9H2,1H3,(H2,25,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
GLAXOSMITHKLINE LLC US Patent					Assay Description For inhibition of triacylglycerol product formation, 11 uL reactions were run in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute p...				US Patent US9796729 (2017) BindingDB Entry DOI: 10.7270/Q2057J2H
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM321153 (US10174049, Example 20 | US10385066, Example 20 | ...) Show SMILES CCOc1ccccc1-n1ccc2cc(ccc12)N1CCOc2ncnc(N)c2C1=O Show InChI InChI=1S/C23H21N5O3/c1-2-30-19-6-4-3-5-18(19)28-10-9-15-13-16(7-8-17(15)28)27-11-12-31-22-20(23(27)29)21(24)25-14-26-22/h3-10,13-14H,2,11-12H2,1H3,(H2,24,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
GLAXOSMITHKLINE LLC US Patent					Assay Description For inhibition of triacylglycerol product formation, 11 uL reactions were run in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute p...				US Patent US9796729 (2017) BindingDB Entry DOI: 10.7270/Q2057J2H
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM321149 (US10174049, Example 16 | US9738658, Example 16 | U...) Show SMILES Nc1ncnc2OCCN(c3ccc4n(ccc4c3)-c3ccccc3O)C(=O)c12 Show InChI InChI=1S/C21H17N5O3/c22-19-18-20(24-12-23-19)29-10-9-25(21(18)28)14-5-6-15-13(11-14)7-8-26(15)16-3-1-2-4-17(16)27/h1-8,11-12,27H,9-10H2,(H2,22,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
GLAXOSMITHKLINE LLC US Patent					Assay Description For inhibition of triacylglycerol product formation, 11 uL reactions were run in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute p...				US Patent US9796729 (2017) BindingDB Entry DOI: 10.7270/Q2057J2H
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM321163 (US10174049, Example 30 | US10385066, Example 30 | ...) Show SMILES Nc1ncnc2OCCN(c3ccc4n(ccc4c3)C3CCOCC3)C(=O)c12 Show InChI InChI=1S/C20H21N5O3/c21-18-17-19(23-12-22-18)28-10-7-25(20(17)26)15-1-2-16-13(11-15)3-6-24(16)14-4-8-27-9-5-14/h1-3,6,11-12,14H,4-5,7-10H2,(H2,21,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.10	n/a	n/a	n/a	n/a	n/a	n/a
GLAXOSMITHKLINE LLC US Patent					Assay Description For inhibition of triacylglycerol product formation, 11 uL reactions were run in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute p...				US Patent US9796729 (2017) BindingDB Entry DOI: 10.7270/Q2057J2H
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM351921 (US9796729, 5) Show SMILES Nc1ncnc2OCCN(c3ccc4n(ccc4c3)-c3ccccc3C(=O)C(F)(F)F)C(=O)c12 Show InChI InChI=1S/C23H16F3N5O3/c24-23(25,26)19(32)15-3-1-2-4-17(15)31-8-7-13-11-14(5-6-16(13)31)30-9-10-34-21-18(22(30)33)20(27)28-12-29-21/h1-8,11-12H,9-10H2,(H2,27,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.80	n/a	n/a	n/a	n/a	n/a	n/a
GLAXOSMITHKLINE LLC US Patent					Assay Description For inhibition of triacylglycerol product formation, 11 uL reactions were run in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute p...				US Patent US9796729 (2017) BindingDB Entry DOI: 10.7270/Q2057J2H
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM321148 (US10174049, Example 15 | US9738658, Example 15 | U...) Show SMILES Cn1cc(ccc1=O)-n1ccc2cc(ccc12)N1CCOc2ncnc(N)c2C1=O Show InChI InChI=1S/C21H18N6O3/c1-25-11-15(3-5-17(25)28)26-7-6-13-10-14(2-4-16(13)26)27-8-9-30-20-18(21(27)29)19(22)23-12-24-20/h2-7,10-12H,8-9H2,1H3,(H2,22,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.80	n/a	n/a	n/a	n/a	n/a	n/a
GLAXOSMITHKLINE LLC US Patent					Assay Description For inhibition of triacylglycerol product formation, 11 uL reactions were run in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute p...				US Patent US9796729 (2017) BindingDB Entry DOI: 10.7270/Q2057J2H
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM321143 (US10174049, Example 10 | US10385066, Example 10 | ...) Show SMILES Nc1ncnc2OCCN(c3ccc4n(ccc4c3)-c3cc(Cl)cc(Cl)c3)C(=O)c12 Show InChI InChI=1S/C21H15Cl2N5O2/c22-13-8-14(23)10-16(9-13)27-4-3-12-7-15(1-2-17(12)27)28-5-6-30-20-18(21(28)29)19(24)25-11-26-20/h1-4,7-11H,5-6H2,(H2,24,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
GLAXOSMITHKLINE LLC US Patent					Assay Description For inhibition of triacylglycerol product formation, 11 uL reactions were run in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute p...				US Patent US9796729 (2017) BindingDB Entry DOI: 10.7270/Q2057J2H
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM321162 (US10174049, Example 29 | US10385066, Example 29 | ...) Show SMILES COc1cc(C)ccc1-n1ccc2cc(ccc12)N1CCOc2ncnc(N)c2C1=O Show InChI InChI=1S/C23H21N5O3/c1-14-3-5-18(19(11-14)30-2)28-8-7-15-12-16(4-6-17(15)28)27-9-10-31-22-20(23(27)29)21(24)25-13-26-22/h3-8,11-13H,9-10H2,1-2H3,(H2,24,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.5	n/a	n/a	n/a	n/a	n/a	n/a
GLAXOSMITHKLINE LLC US Patent					Assay Description For inhibition of triacylglycerol product formation, 11 uL reactions were run in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute p...				US Patent US9796729 (2017) BindingDB Entry DOI: 10.7270/Q2057J2H
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM321153 (US10174049, Example 20 | US10385066, Example 20 | ...) Show SMILES CCOc1ccccc1-n1ccc2cc(ccc12)N1CCOc2ncnc(N)c2C1=O Show InChI InChI=1S/C23H21N5O3/c1-2-30-19-6-4-3-5-18(19)28-10-9-15-13-16(7-8-17(15)28)27-11-12-31-22-20(23(27)29)21(24)25-14-26-22/h3-10,13-14H,2,11-12H2,1H3,(H2,24,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.70	n/a	n/a	n/a	n/a	n/a	n/a
GLAXOSMITHKLINE LLC US Patent					Assay Description For inhibition of triacylglycerol product formation, 11 uL reactions were run in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute p...				US Patent US9796729 (2017) BindingDB Entry DOI: 10.7270/Q2057J2H
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM321150 (US10174049, Example 17 | US9738658, Example 17 | U...) Show SMILES Nc1ncnc2OCCN(c3ccc4n(ccc4c3)-c3ccccc3OC3CCCC3)C(=O)c12 Show InChI InChI=1S/C26H25N5O3/c27-24-23-25(29-16-28-24)33-14-13-30(26(23)32)18-9-10-20-17(15-18)11-12-31(20)21-7-3-4-8-22(21)34-19-5-1-2-6-19/h3-4,7-12,15-16,19H,1-2,5-6,13-14H2,(H2,27,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11.2	n/a	n/a	n/a	n/a	n/a	n/a
GLAXOSMITHKLINE LLC US Patent					Assay Description For inhibition of triacylglycerol product formation, 11 uL reactions were run in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute p...				US Patent US9796729 (2017) BindingDB Entry DOI: 10.7270/Q2057J2H
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM321144 (US10174049, Example 11 | US10385066, Example 11 | ...) Show SMILES Nc1ncnc2OCCN(c3cnc4n(ccc4c3)-c3cc(Cl)cc(Cl)c3)C(=O)c12 Show InChI InChI=1S/C20H14Cl2N6O2/c21-12-6-13(22)8-14(7-12)27-2-1-11-5-15(9-24-18(11)27)28-3-4-30-19-16(20(28)29)17(23)25-10-26-19/h1-2,5-10H,3-4H2,(H2,23,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13.3	n/a	n/a	n/a	n/a	n/a	n/a
GLAXOSMITHKLINE LLC US Patent					Assay Description For inhibition of triacylglycerol product formation, 11 uL reactions were run in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute p...				US Patent US9796729 (2017) BindingDB Entry DOI: 10.7270/Q2057J2H
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM351933 (US9796729, 14) Show SMILES Cc1ccc(cn1)-n1ccc2cc(ccc12)N1CCOc2ncnc(N)c2C1=O Show InChI InChI=1S/C21H18N6O2/c1-13-2-3-16(11-23-13)26-7-6-14-10-15(4-5-17(14)26)27-8-9-29-20-18(21(27)28)19(22)24-12-25-20/h2-7,10-12H,8-9H2,1H3,(H2,22,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14.5	n/a	n/a	n/a	n/a	n/a	n/a
GLAXOSMITHKLINE LLC US Patent					Assay Description For inhibition of triacylglycerol product formation, 11 uL reactions were run in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute p...				US Patent US9796729 (2017) BindingDB Entry DOI: 10.7270/Q2057J2H
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM321164 (US10174049, Example 31 | US9738658, Example 31 | U...) Show SMILES COc1nc(C)ccc1-n1ccc2cc(ccc12)N1CCOc2ncnc(N)c2C1=O Show InChI InChI=1S/C22H20N6O3/c1-13-3-5-17(20(26-13)30-2)28-8-7-14-11-15(4-6-16(14)28)27-9-10-31-21-18(22(27)29)19(23)24-12-25-21/h3-8,11-12H,9-10H2,1-2H3,(H2,23,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14.6	n/a	n/a	n/a	n/a	n/a	n/a
GLAXOSMITHKLINE LLC US Patent					Assay Description For inhibition of triacylglycerol product formation, 11 uL reactions were run in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute p...				US Patent US9796729 (2017) BindingDB Entry DOI: 10.7270/Q2057J2H
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM351919 (US9796729, 3) Show SMILES Nc1ncnc2OCCN(c3ccc4n(ccc4c3)C3CCC3)C(=O)c12 Show InChI InChI=1S/C19H19N5O2/c20-17-16-18(22-11-21-17)26-9-8-24(19(16)25)14-4-5-15-12(10-14)6-7-23(15)13-2-1-3-13/h4-7,10-11,13H,1-3,8-9H2,(H2,20,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14.7	n/a	n/a	n/a	n/a	n/a	n/a
GLAXOSMITHKLINE LLC US Patent					Assay Description For inhibition of triacylglycerol product formation, 11 uL reactions were run in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute p...				US Patent US9796729 (2017) BindingDB Entry DOI: 10.7270/Q2057J2H
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM321167 (US10174049, Example 34 | US10385066, Example 34 | ...) Show SMILES Cc1cnc(cn1)-n1ccc2cc(ccc12)N1CCOc2ncnc(N)c2C1=O Show InChI InChI=1S/C20H17N7O2/c1-12-9-23-16(10-22-12)27-5-4-13-8-14(2-3-15(13)27)26-6-7-29-19-17(20(26)28)18(21)24-11-25-19/h2-5,8-11H,6-7H2,1H3,(H2,21,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15.8	n/a	n/a	n/a	n/a	n/a	n/a
GLAXOSMITHKLINE LLC US Patent					Assay Description For inhibition of triacylglycerol product formation, 11 uL reactions were run in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute p...				US Patent US9796729 (2017) BindingDB Entry DOI: 10.7270/Q2057J2H
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM321156 (US10174049, Example 23 | US9796729, 23) Show SMILES COc1ccccc1-n1ccc2cc(cc(NC(=O)C3CC3)c12)N1CCOc2ncnc(N)c2C1=O Show InChI InChI=1S/C26H24N6O4/c1-35-20-5-3-2-4-19(20)32-9-8-16-12-17(13-18(22(16)32)30-24(33)15-6-7-15)31-10-11-36-25-21(26(31)34)23(27)28-14-29-25/h2-5,8-9,12-15H,6-7,10-11H2,1H3,(H,30,33)(H2,27,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16.1	n/a	n/a	n/a	n/a	n/a	n/a
GLAXOSMITHKLINE LLC US Patent					Assay Description For inhibition of triacylglycerol product formation, 11 uL reactions were run in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute p...				US Patent US9796729 (2017) BindingDB Entry DOI: 10.7270/Q2057J2H
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM321154 (US10174049, Example 21 | US10385066, Example 21 | ...) Show SMILES Cc1nnc(o1)-n1ccc2cc(ccc12)N1CCOc2ncnc(N)c2C1=O Show InChI InChI=1S/C18H15N7O3/c1-10-22-23-18(28-10)25-5-4-11-8-12(2-3-13(11)25)24-6-7-27-16-14(17(24)26)15(19)20-9-21-16/h2-5,8-9H,6-7H2,1H3,(H2,19,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16.3	n/a	n/a	n/a	n/a	n/a	n/a
GLAXOSMITHKLINE LLC US Patent					Assay Description For inhibition of triacylglycerol product formation, 11 uL reactions were run in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute p...				US Patent US9796729 (2017) BindingDB Entry DOI: 10.7270/Q2057J2H
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM321149 (US10174049, Example 16 | US9738658, Example 16 | U...) Show SMILES Nc1ncnc2OCCN(c3ccc4n(ccc4c3)-c3ccccc3O)C(=O)c12 Show InChI InChI=1S/C21H17N5O3/c22-19-18-20(24-12-23-19)29-10-9-25(21(18)28)14-5-6-15-13(11-14)7-8-26(15)16-3-1-2-4-17(16)27/h1-8,11-12,27H,9-10H2,(H2,22,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	24.1	n/a	n/a	n/a	n/a	n/a	n/a
GLAXOSMITHKLINE LLC US Patent					Assay Description For inhibition of triacylglycerol product formation, 11 uL reactions were run in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute p...				US Patent US9796729 (2017) BindingDB Entry DOI: 10.7270/Q2057J2H
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM321139 (US10174049, Example 6 | US10385066, Example 6 | US...) Show SMILES COc1cc(ccc1-n1ccc2cc(ccc12)N1CCOc2ncnc(N)c2C1=O)C(F)(F)F Show InChI InChI=1S/C23H18F3N5O3/c1-33-18-11-14(23(24,25)26)2-4-17(18)31-7-6-13-10-15(3-5-16(13)31)30-8-9-34-21-19(22(30)32)20(27)28-12-29-21/h2-7,10-12H,8-9H2,1H3,(H2,27,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
GLAXOSMITHKLINE LLC US Patent					Assay Description For inhibition of triacylglycerol product formation, 11 uL reactions were run in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute p...				US Patent US9796729 (2017) BindingDB Entry DOI: 10.7270/Q2057J2H
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM351920 (US9796729, 4) Show SMILES CC(C)(C)n1ccc2cc(ccc12)N1CCOc2ncnc(N)c2C1=O Show InChI InChI=1S/C19H21N5O2/c1-19(2,3)24-7-6-12-10-13(4-5-14(12)24)23-8-9-26-17-15(18(23)25)16(20)21-11-22-17/h4-7,10-11H,8-9H2,1-3H3,(H2,20,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	31.3	n/a	n/a	n/a	n/a	n/a	n/a
GLAXOSMITHKLINE LLC US Patent					Assay Description For inhibition of triacylglycerol product formation, 11 uL reactions were run in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute p...				US Patent US9796729 (2017) BindingDB Entry DOI: 10.7270/Q2057J2H
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM321165 (US10174049, Example 32 | US10385066, Example 32 | ...) Show SMILES COc1ncc(cn1)-n1ccc2cc(ccc12)N1CCOc2ncnc(N)c2C1=O Show InChI InChI=1S/C20H17N7O3/c1-29-20-22-9-14(10-23-20)26-5-4-12-8-13(2-3-15(12)26)27-6-7-30-18-16(19(27)28)17(21)24-11-25-18/h2-5,8-11H,6-7H2,1H3,(H2,21,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	38.1	n/a	n/a	n/a	n/a	n/a	n/a
GLAXOSMITHKLINE LLC US Patent					Assay Description For inhibition of triacylglycerol product formation, 11 uL reactions were run in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute p...				US Patent US9796729 (2017) BindingDB Entry DOI: 10.7270/Q2057J2H
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM321134 (US10174049, Example 1 | US10385066, Example 1 | US...) Show SMILES Nc1ncnc2OCCN(c3ccc4n(ccc4c3)C3COC3)C(=O)c12 Show InChI InChI=1S/C18H17N5O3/c19-16-15-17(21-10-20-16)26-6-5-23(18(15)24)12-1-2-14-11(7-12)3-4-22(14)13-8-25-9-13/h1-4,7,10,13H,5-6,8-9H2,(H2,19,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	39.1	n/a	n/a	n/a	n/a	n/a	n/a
GLAXOSMITHKLINE LLC US Patent					Assay Description For inhibition of triacylglycerol product formation, 11 uL reactions were run in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute p...				US Patent US9796729 (2017) BindingDB Entry DOI: 10.7270/Q2057J2H
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM321160 (US10174049, Example 27 | US9738658, Example 27 | U...) Show SMILES CCc1ncc(cn1)-n1ccc2cc(ccc12)N1CCOc2ncnc(N)c2C1=O Show InChI InChI=1S/C21H19N7O2/c1-2-17-23-10-15(11-24-17)27-6-5-13-9-14(3-4-16(13)27)28-7-8-30-20-18(21(28)29)19(22)25-12-26-20/h3-6,9-12H,2,7-8H2,1H3,(H2,22,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	49.7	n/a	n/a	n/a	n/a	n/a	n/a
GLAXOSMITHKLINE LLC US Patent					Assay Description For inhibition of triacylglycerol product formation, 11 uL reactions were run in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute p...				US Patent US9796729 (2017) BindingDB Entry DOI: 10.7270/Q2057J2H
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM321168 (US10174049, Example 35 | US9738658, Example 35 | U...) Show SMILES Cc1nnc([nH]1)-n1ccc2cc(ccc12)N1CCOc2ncnc(N)c2C1=O Show InChI InChI=1S/C18H16N8O2/c1-10-22-18(24-23-10)26-5-4-11-8-12(2-3-13(11)26)25-6-7-28-16-14(17(25)27)15(19)20-9-21-16/h2-5,8-9H,6-7H2,1H3,(H2,19,20,21)(H,22,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
GLAXOSMITHKLINE LLC US Patent					Assay Description For inhibition of triacylglycerol product formation, 11 uL reactions were run in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute p...				US Patent US9796729 (2017) BindingDB Entry DOI: 10.7270/Q2057J2H
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM321157 (US10174049, Example 24 | US9738658, Example 24 | U...) Show SMILES CC(C)n1ccc2cc(cc(N3CCOCC3)c12)N1CCOc2ncnc(N)c2C1=O Show InChI InChI=1S/C22H26N6O3/c1-14(2)27-4-3-15-11-16(12-17(19(15)27)26-5-8-30-9-6-26)28-7-10-31-21-18(22(28)29)20(23)24-13-25-21/h3-4,11-14H,5-10H2,1-2H3,(H2,23,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	82.2	n/a	n/a	n/a	n/a	n/a	n/a
GLAXOSMITHKLINE LLC US Patent					Assay Description For inhibition of triacylglycerol product formation, 11 uL reactions were run in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute p...				US Patent US9796729 (2017) BindingDB Entry DOI: 10.7270/Q2057J2H
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM321158 (US10174049, Example 25 | US10385066, Example 25 | ...) Show SMILES CC(C)n1ccc2cc(cc(NC(=O)C3CC3)c12)N1CCOc2ncnc(N)c2C1=O Show InChI InChI=1S/C22H24N6O3/c1-12(2)27-6-5-14-9-15(10-16(18(14)27)26-20(29)13-3-4-13)28-7-8-31-21-17(22(28)30)19(23)24-11-25-21/h5-6,9-13H,3-4,7-8H2,1-2H3,(H,26,29)(H2,23,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	93	n/a	n/a	n/a	n/a	n/a	n/a
GLAXOSMITHKLINE LLC US Patent					Assay Description For inhibition of triacylglycerol product formation, 11 uL reactions were run in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute p...				US Patent US9796729 (2017) BindingDB Entry DOI: 10.7270/Q2057J2H
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM321146 (US10174049, Example 13 | US10385066, Example 13 | ...) Show SMILES Cc1ncc(cn1)-n1ccc2cc(ccc12)N1CCOc2ncnc(N)c2C1=O Show InChI InChI=1S/C20H17N7O2/c1-12-22-9-15(10-23-12)26-5-4-13-8-14(2-3-16(13)26)27-6-7-29-19-17(20(27)28)18(21)24-11-25-19/h2-5,8-11H,6-7H2,1H3,(H2,21,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	101	n/a	n/a	n/a	n/a	n/a	n/a
GLAXOSMITHKLINE LLC US Patent					Assay Description For inhibition of triacylglycerol product formation, 11 uL reactions were run in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute p...				US Patent US9796729 (2017) BindingDB Entry DOI: 10.7270/Q2057J2H
					More data for this Ligand-Target Pair