Compile Data Set for Download or QSAR

Found 17 hits Enz. Inhib. hit(s) with all data for entry = 532   

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 2 (Homo sapiens (Human))	BDBM276763 (US10071992, Example 8 | US11034678, Example 8 | US...) Show SMILES CCOc1cc(F)cnc1Oc1cncc(c1)-c1ncc(cn1)C(=O)N[C@H]1CCOC1 |r| Show InChI InChI=1S/C21H20FN5O4/c1-2-30-18-6-15(22)10-26-21(18)31-17-5-13(7-23-11-17)19-24-8-14(9-25-19)20(28)27-16-3-4-29-12-16/h5-11,16H,2-4,12H2,1H3,(H,27,28)/t16-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.70	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description For determination of IC50 values, the reactions were carried out in 384-well white Polyplates (Perkin Elmer) in a total volume of 20 μL. To 1 &#...				US Patent US10071992 (2018) BindingDB Entry DOI: 10.7270/Q2RJ4MHN
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 2 (Homo sapiens (Human))	BDBM276759 (US10071992, Example 4 | US11034678, Example 4) Show SMILES CCOc1cccnc1Oc1cncc(c1)-c1ncc(cn1)C(=O)NC(C)(C)C#N Show InChI InChI=1S/C21H20N6O3/c1-4-29-17-6-5-7-24-20(17)30-16-8-14(9-23-12-16)18-25-10-15(11-26-18)19(28)27-21(2,3)13-22/h5-12H,4H2,1-3H3,(H,27,28)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.40	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description For determination of IC50 values, the reactions were carried out in 384-well white Polyplates (Perkin Elmer) in a total volume of 20 μL. To 1 &#...				US Patent US10071992 (2018) BindingDB Entry DOI: 10.7270/Q2RJ4MHN
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 2 (Homo sapiens (Human))	BDBM276749 (US10188653, Example 19.21 | US11034678, WO20151406...) Show SMILES CCOc1ccccc1O[C@@H]1CCCN(C1)c1ncc(cn1)C(=O)NC(C)(C)CO |r| Show InChI InChI=1S/C22H30N4O4/c1-4-29-18-9-5-6-10-19(18)30-17-8-7-11-26(14-17)21-23-12-16(13-24-21)20(28)25-22(2,3)15-27/h5-6,9-10,12-13,17,27H,4,7-8,11,14-15H2,1-3H3,(H,25,28)/t17-/m1/s1	Reactome pathway KEGG 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	7.4	25
Pfizer Inc. US Patent					Assay Description For determination of IC50 values, the reactions were carried out in 384-well white Polyplates (Perkin Elmer) in a total volume of 20 μL. To 1 &#...				US Patent US10071992 (2018) BindingDB Entry DOI: 10.7270/Q2RJ4MHN
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 2 (Homo sapiens (Human))	BDBM276752 (2-(5-((3-ethoxypyridin- 2-yl)oxy)pyridin-3-yl)-N-(...) Show SMILES CCOc1cccnc1Oc1cncc(c1)-c1ncc(cn1)C(=O)NC1(C)CCS(=O)(=O)C1 Show InChI InChI=1S/C22H23N5O5S/c1-3-31-18-5-4-7-24-21(18)32-17-9-15(10-23-13-17)19-25-11-16(12-26-19)20(28)27-22(2)6-8-33(29,30)14-22/h4-5,7,9-13H,3,6,8,14H2,1-2H3,(H,27,28)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13.5	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description For determination of IC50 values, the reactions were carried out in 384-well white Polyplates (Perkin Elmer) in a total volume of 20 μL. To 1 &#...				US Patent US10071992 (2018) BindingDB Entry DOI: 10.7270/Q2RJ4MHN
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 2 (Homo sapiens (Human))	BDBM276748 (US10071992, Example 3.5 | US10071992, Example 5 | ...) Show SMILES CCOc1cccnc1Oc1cncc(c1)-c1ncc(cn1)C(=O)NC(C)(C)CO Show InChI InChI=1S/C21H23N5O4/c1-4-29-17-6-5-7-23-20(17)30-16-8-14(9-22-12-16)18-24-10-15(11-25-18)19(28)26-21(2,3)13-27/h5-12,27H,4,13H2,1-3H3,(H,26,28)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description For determination of IC50 values, the reactions were carried out in 384-well white Polyplates (Perkin Elmer) in a total volume of 20 μL. To 1 &#...				US Patent US10071992 (2018) BindingDB Entry DOI: 10.7270/Q2RJ4MHN
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 2 (Homo sapiens (Human))	BDBM276748 (US10071992, Example 3.5 | US10071992, Example 5 | ...) Show SMILES CCOc1cccnc1Oc1cncc(c1)-c1ncc(cn1)C(=O)NC(C)(C)CO Show InChI InChI=1S/C21H23N5O4/c1-4-29-17-6-5-7-23-20(17)30-16-8-14(9-22-12-16)18-24-10-15(11-25-18)19(28)26-21(2,3)13-27/h5-12,27H,4,13H2,1-3H3,(H,26,28)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description For determination of IC50 values, the reactions were carried out in 384-well white Polyplates (Perkin Elmer) in a total volume of 20 μL. To 1 &#...				US Patent US10071992 (2018) BindingDB Entry DOI: 10.7270/Q2RJ4MHN
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 2 (Homo sapiens (Human))	BDBM276750 ((S)-2-(5-((3-ethoxypyridin-2-yl)oxy)pyridin-3-yl)-...) Show SMILES CCOc1cccnc1Oc1cncc(c1)-c1ncc(cn1)C(=O)N[C@H]1CCOC1 |r| Show InChI InChI=1S/C21H21N5O4/c1-2-29-18-4-3-6-23-21(18)30-17-8-14(9-22-12-17)19-24-10-15(11-25-19)20(27)26-16-5-7-28-13-16/h3-4,6,8-12,16H,2,5,7,13H2,1H3,(H,26,27)/t16-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	17.2	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description For determination of IC50 values, the reactions were carried out in 384-well white Polyplates (Perkin Elmer) in a total volume of 20 μL. To 1 &#...				US Patent US10071992 (2018) BindingDB Entry DOI: 10.7270/Q2RJ4MHN
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 2 (Homo sapiens (Human))	BDBM276760 (US10071992, Example 6a) Show SMILES CCOc1cccnc1Oc1cncc(c1)-c1ncc(cn1)C(=O)NC1(CO)CCOC1 Show InChI InChI=1S/C22H23N5O5/c1-2-31-18-4-3-6-24-21(18)32-17-8-15(9-23-12-17)19-25-10-16(11-26-19)20(29)27-22(13-28)5-7-30-14-22/h3-4,6,8-12,28H,2,5,7,13-14H2,1H3,(H,27,29)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	20.9	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description For determination of IC50 values, the reactions were carried out in 384-well white Polyplates (Perkin Elmer) in a total volume of 20 μL. To 1 &#...				US Patent US10071992 (2018) BindingDB Entry DOI: 10.7270/Q2RJ4MHN
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 2 (Homo sapiens (Human))	BDBM276761 ((S)-2-(5-((3-ethoxypyridin-2-yl)oxy)pyridin-3-yl)-...) Show SMILES CCOc1cccnc1Oc1cncc(c1)-c1ncc(cn1)C(=O)N[C@]1(CO)CCOC1 |r| Show InChI InChI=1S/C22H23N5O5/c1-2-31-18-4-3-6-24-21(18)32-17-8-15(9-23-12-17)19-25-10-16(11-26-19)20(29)27-22(13-28)5-7-30-14-22/h3-4,6,8-12,28H,2,5,7,13-14H2,1H3,(H,27,29)/t22-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	23.2	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description For determination of IC50 values, the reactions were carried out in 384-well white Polyplates (Perkin Elmer) in a total volume of 20 μL. To 1 &#...				US Patent US10071992 (2018) BindingDB Entry DOI: 10.7270/Q2RJ4MHN
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 2 (Homo sapiens (Human))	BDBM276757 (2-(5-((3-ethoxypyridin- 2-yl)oxy)pyridin-3-yl)- N-...) Show SMILES CCOc1cccnc1Oc1cncc(c1)-c1ncc(cn1)C(=O)NC(C)(C)S(C)(=O)=O Show InChI InChI=1S/C21H23N5O5S/c1-5-30-17-7-6-8-23-20(17)31-16-9-14(10-22-13-16)18-24-11-15(12-25-18)19(27)26-21(2,3)32(4,28)29/h6-13H,5H2,1-4H3,(H,26,27)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	35.4	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description For determination of IC50 values, the reactions were carried out in 384-well white Polyplates (Perkin Elmer) in a total volume of 20 μL. To 1 &#...				US Patent US10071992 (2018) BindingDB Entry DOI: 10.7270/Q2RJ4MHN
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 2 (Homo sapiens (Human))	BDBM276751 ((R)-2-(5-((3-Ethoxypyridin-2-yl)oxy)pyridin-3-yl)-...) Show SMILES CCOc1cccnc1Oc1cncc(c1)-c1ncc(cn1)C(=O)N[C@@H]1CCOC1 |r| Show InChI InChI=1S/C21H21N5O4/c1-2-29-18-4-3-6-23-21(18)30-17-8-14(9-22-12-17)19-24-10-15(11-25-19)20(27)26-16-5-7-28-13-16/h3-4,6,8-12,16H,2,5,7,13H2,1H3,(H,26,27)/t16-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	66.5	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description For determination of IC50 values, the reactions were carried out in 384-well white Polyplates (Perkin Elmer) in a total volume of 20 μL. To 1 &#...				US Patent US10071992 (2018) BindingDB Entry DOI: 10.7270/Q2RJ4MHN
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 2 (Homo sapiens (Human))	BDBM276762 (US10071992, Example 7 | US11034678, Example 7) Show SMILES CCOc1cccnc1Oc1cncc(c1)-c1ncc(nn1)C(=O)NC(C)(C)CO Show InChI InChI=1S/C20H22N6O4/c1-4-29-16-6-5-7-22-19(16)30-14-8-13(9-21-10-14)17-23-11-15(25-26-17)18(28)24-20(2,3)12-27/h5-11,27H,4,12H2,1-3H3,(H,24,28)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	83	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description For determination of IC50 values, the reactions were carried out in 384-well white Polyplates (Perkin Elmer) in a total volume of 20 μL. To 1 &#...				US Patent US10071992 (2018) BindingDB Entry DOI: 10.7270/Q2RJ4MHN
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 2 (Homo sapiens (Human))	BDBM276753 (N-(1,3-dihydroxy-2- methylpropan-2-yl)-2-(5- ((3-e...) Show SMILES CCOc1cccnc1Oc1cncc(c1)-c1ncc(cn1)C(=O)NC(C)(CO)CCO Show InChI InChI=1S/C22H25N5O5/c1-3-31-18-5-4-7-24-21(18)32-17-9-15(10-23-13-17)19-25-11-16(12-26-19)20(30)27-22(2,14-29)6-8-28/h4-5,7,9-13,28-29H,3,6,8,14H2,1-2H3,(H,27,30)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	83.6	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description For determination of IC50 values, the reactions were carried out in 384-well white Polyplates (Perkin Elmer) in a total volume of 20 μL. To 1 &#...				US Patent US10071992 (2018) BindingDB Entry DOI: 10.7270/Q2RJ4MHN
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 2 (Homo sapiens (Human))	BDBM276750 ((S)-2-(5-((3-ethoxypyridin-2-yl)oxy)pyridin-3-yl)-...) Show SMILES CCOc1cccnc1Oc1cncc(c1)-c1ncc(cn1)C(=O)N[C@H]1CCOC1 |r| Show InChI InChI=1S/C21H21N5O4/c1-2-29-18-4-3-6-23-21(18)30-17-8-14(9-22-12-17)19-24-10-15(11-25-19)20(27)26-16-5-7-28-13-16/h3-4,6,8-12,16H,2,5,7,13H2,1H3,(H,26,27)/t16-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	181	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description For determination of IC50 values, the reactions were carried out in 384-well white Polyplates (Perkin Elmer) in a total volume of 20 μL. To 1 &#...				US Patent US10071992 (2018) BindingDB Entry DOI: 10.7270/Q2RJ4MHN
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 2 (Homo sapiens (Human))	BDBM276754 (N-(1,1-dioxidotetrahydro- thiophen-3-yl)-2-(5-((3-...) Show SMILES CCOc1cccnc1Oc1cncc(c1)-c1ncc(cn1)C(=O)NC1CCS(=O)(=O)C1 Show InChI InChI=1S/C21H21N5O5S/c1-2-30-18-4-3-6-23-21(18)31-17-8-14(9-22-12-17)19-24-10-15(11-25-19)20(27)26-16-5-7-32(28,29)13-16/h3-4,6,8-12,16H,2,5,7,13H2,1H3,(H,26,27)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	196	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description For determination of IC50 values, the reactions were carried out in 384-well white Polyplates (Perkin Elmer) in a total volume of 20 μL. To 1 &#...				US Patent US10071992 (2018) BindingDB Entry DOI: 10.7270/Q2RJ4MHN
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 2 (Homo sapiens (Human))	BDBM276751 ((R)-2-(5-((3-Ethoxypyridin-2-yl)oxy)pyridin-3-yl)-...) Show SMILES CCOc1cccnc1Oc1cncc(c1)-c1ncc(cn1)C(=O)N[C@@H]1CCOC1 |r| Show InChI InChI=1S/C21H21N5O4/c1-2-29-18-4-3-6-23-21(18)30-17-8-14(9-22-12-17)19-24-10-15(11-25-19)20(27)26-16-5-7-28-13-16/h3-4,6,8-12,16H,2,5,7,13H2,1H3,(H,26,27)/t16-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	200	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description For determination of IC50 values, the reactions were carried out in 384-well white Polyplates (Perkin Elmer) in a total volume of 20 μL. To 1 &#...				US Patent US10071992 (2018) BindingDB Entry DOI: 10.7270/Q2RJ4MHN
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 2 (Homo sapiens (Human))	BDBM276748 (US10071992, Example 3.5 | US10071992, Example 5 | ...) Show SMILES CCOc1cccnc1Oc1cncc(c1)-c1ncc(cn1)C(=O)NC(C)(C)CO Show InChI InChI=1S/C21H23N5O4/c1-4-29-17-6-5-7-23-20(17)30-16-8-14(9-22-12-16)18-24-10-15(11-25-18)19(28)26-21(2,3)13-27/h5-12,27H,4,13H2,1-3H3,(H,26,28)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	238	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description For determination of IC50 values, the reactions were carried out in 384-well white Polyplates (Perkin Elmer) in a total volume of 20 μL. To 1 &#...				US Patent US10071992 (2018) BindingDB Entry DOI: 10.7270/Q2RJ4MHN
					More data for this Ligand-Target Pair