Compile Data Set for Download or QSAR

Found 206 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 1418   

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
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM322065 (1-(4-(5-(1H-1,2,3-Triazol-4-yl)pentyl)piperidin-1-...) Show SMILES Cc1nnn(Cc2cc(ccc2CCC(=O)N2CCC(CCCCCc3c[nH]nn3)CC2)C(F)(F)F)n1 Show InChI InChI=1S/C25H33F3N8O/c1-18-30-34-36(32-18)17-21-15-22(25(26,27)28)9-7-20(21)8-10-24(37)35-13-11-19(12-14-35)5-3-2-4-6-23-16-29-33-31-23/h7,9,15-16,19H,2-6,8,10-14,17H2,1H3,(H,29,31,33)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Reagents LPC (oleoyl (18:1)) was purchased from Avanti Polar Lipids (Alabaster, Ala.) and solubilized in methanol to 20 mM. Amplex Red was obtained f...				US Patent US10183025 (2019) BindingDB Entry DOI: 10.7270/Q2RN39XZ
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM321962 ((R,E)-3-(2-((5-Methyl-2H-tetrazol-2-yl)methyl)-4-(...) Show SMILES C[C@@H]1CN(Cc2coc(C)n2)CCN1C(=O)\C=C\c1ccc(cc1Cn1nnc(C)n1)C(F)(F)F |r| Show InChI InChI=1S/C23H26F3N7O2/c1-15-11-31(13-21-14-35-17(3)27-21)8-9-32(15)22(34)7-5-18-4-6-20(23(24,25)26)10-19(18)12-33-29-16(2)28-30-33/h4-7,10,14-15H,8-9,11-13H2,1-3H3/b7-5+/t15-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Reagents LPC (oleoyl (18:1)) was purchased from Avanti Polar Lipids (Alabaster, Ala.) and solubilized in methanol to 20 mM. Amplex Red was obtained f...				US Patent US10183025 (2019) BindingDB Entry DOI: 10.7270/Q2RN39XZ
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM321944 ((E)-1-(4-((1-Methyl-1H-pyrazol-4-yl)methyl)piperaz...) Show SMILES Cc1nnn(Cc2cc(ccc2\C=C\C(=O)N2CCN(Cc3cnn(C)c3)CC2)C(F)(F)F)n1 Show InChI InChI=1S/C22H25F3N8O/c1-16-27-29-33(28-16)15-19-11-20(22(23,24)25)5-3-18(19)4-6-21(34)32-9-7-31(8-10-32)14-17-12-26-30(2)13-17/h3-6,11-13H,7-10,14-15H2,1-2H3/b6-4+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Reagents LPC (oleoyl (18:1)) was purchased from Avanti Polar Lipids (Alabaster, Ala.) and solubilized in methanol to 20 mM. Amplex Red was obtained f...				US Patent US10183025 (2019) BindingDB Entry DOI: 10.7270/Q2RN39XZ
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM322066 (1-(4-(5-(1H-1,2,3-Triazol-4-yl)pentyl)piperidin-1-...) Show SMILES Cc1nnn(Cc2cc(ccc2OCC(=O)N2CCC(CCCCCc3c[nH]nn3)CC2)C(F)(F)F)n1 Show InChI InChI=1S/C24H31F3N8O2/c1-17-29-33-35(31-17)15-19-13-20(24(25,26)27)7-8-22(19)37-16-23(36)34-11-9-18(10-12-34)5-3-2-4-6-21-14-28-32-30-21/h7-8,13-14,18H,2-6,9-12,15-16H2,1H3,(H,28,30,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Reagents LPC (oleoyl (18:1)) was purchased from Avanti Polar Lipids (Alabaster, Ala.) and solubilized in methanol to 20 mM. Amplex Red was obtained f...				US Patent US10183025 (2019) BindingDB Entry DOI: 10.7270/Q2RN39XZ
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM322063 ((E)-N-(1-(3-(4-Chloro-2-((5-methyl-2H-tetrazol-2-y...) Show SMILES Cc1nnn(Cc2cc(Cl)ccc2\C=C\C(=O)N2CCC(CC2)NC(=O)CCCc2c[nH]nn2)n1 Show InChI InChI=1S/C23H28ClN9O2/c1-16-27-31-33(29-16)15-18-13-19(24)7-5-17(18)6-8-23(35)32-11-9-20(10-12-32)26-22(34)4-2-3-21-14-25-30-28-21/h5-8,13-14,20H,2-4,9-12,15H2,1H3,(H,26,34)(H,25,28,30)/b8-6+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Reagents LPC (oleoyl (18:1)) was purchased from Avanti Polar Lipids (Alabaster, Ala.) and solubilized in methanol to 20 mM. Amplex Red was obtained f...				US Patent US10183025 (2019) BindingDB Entry DOI: 10.7270/Q2RN39XZ
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM321868 (US10183025, Example 5a | US9763957, Example 5b) Show SMILES Cc1noc(n1)[C@@H]1CCCCN1C(=O)\C=C\c1ccc(cc1Cn1nnc(C)n1)C(F)(F)F |r| Show InChI InChI=1S/C21H22F3N7O2/c1-13-25-20(33-28-13)18-5-3-4-10-30(18)19(32)9-7-15-6-8-17(21(22,23)24)11-16(15)12-31-27-14(2)26-29-31/h6-9,11,18H,3-5,10,12H2,1-2H3/b9-7+/t18-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Reagents LPC (oleoyl (18:1)) was purchased from Avanti Polar Lipids (Alabaster, Ala.) and solubilized in methanol to 20 mM. Amplex Red was obtained f...				US Patent US10183025 (2019) BindingDB Entry DOI: 10.7270/Q2RN39XZ
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM322027 ((R,E)-3-(4-Chloro-2-((5-methyl-2H-tetrazol-2-yl)me...) Show SMILES COc1ccc(CN2CCN([C@H](C)C2)C(=O)\C=C\c2ccc(Cl)cc2Cn2nnc(C)n2)nc1 |r| Show InChI InChI=1S/C24H28ClN7O2/c1-17-14-30(16-22-7-8-23(34-3)13-26-22)10-11-31(17)24(33)9-5-19-4-6-21(25)12-20(19)15-32-28-18(2)27-29-32/h4-9,12-13,17H,10-11,14-16H2,1-3H3/b9-5+/t17-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Reagents LPC (oleoyl (18:1)) was purchased from Avanti Polar Lipids (Alabaster, Ala.) and solubilized in methanol to 20 mM. Amplex Red was obtained f...				US Patent US10183025 (2019) BindingDB Entry DOI: 10.7270/Q2RN39XZ
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM321991 ((E)-1-(4-((1-Methyl-1H-pyrazol-3-yl)methyl)piperaz...) Show SMILES Cc1nnn(Cc2cc(ccc2\C=C\C(=O)N2CCN(Cc3ccn(C)n3)CC2)C(F)(F)F)n1 Show InChI InChI=1S/C22H25F3N8O/c1-16-26-29-33(27-16)14-18-13-19(22(23,24)25)5-3-17(18)4-6-21(34)32-11-9-31(10-12-32)15-20-7-8-30(2)28-20/h3-8,13H,9-12,14-15H2,1-2H3/b6-4+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Reagents LPC (oleoyl (18:1)) was purchased from Avanti Polar Lipids (Alabaster, Ala.) and solubilized in methanol to 20 mM. Amplex Red was obtained f...				US Patent US10183025 (2019) BindingDB Entry DOI: 10.7270/Q2RN39XZ
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM321899 ((E)-Ethyl 1-((1-(3-(4-chloro-2-((5-methyl-2H-tetra...) Show SMILES CCOC(=O)c1cnn(CC2(O)CCN(CC2)C(=O)\C=C\c2ccc(Cl)cc2Cn2nnc(C)n2)c1 Show InChI InChI=1S/C24H28ClN7O4/c1-3-36-23(34)20-13-26-31(14-20)16-24(35)8-10-30(11-9-24)22(33)7-5-18-4-6-21(25)12-19(18)15-32-28-17(2)27-29-32/h4-7,12-14,35H,3,8-11,15-16H2,1-2H3/b7-5+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Reagents LPC (oleoyl (18:1)) was purchased from Avanti Polar Lipids (Alabaster, Ala.) and solubilized in methanol to 20 mM. Amplex Red was obtained f...				US Patent US10183025 (2019) BindingDB Entry DOI: 10.7270/Q2RN39XZ
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM321994 ((E)-1-(4-(5-Ethyl-1,3,4-oxadiazol-2-yl)piperidin-1...) Show SMILES CCc1nnc(o1)C1CCN(CC1)C(=O)\C=C\c1ccc(cc1Cn1nnc(C)n1)C(F)(F)F Show InChI InChI=1S/C22H24F3N7O2/c1-3-19-27-28-21(34-19)16-8-10-31(11-9-16)20(33)7-5-15-4-6-18(22(23,24)25)12-17(15)13-32-29-14(2)26-30-32/h4-7,12,16H,3,8-11,13H2,1-2H3/b7-5+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Reagents LPC (oleoyl (18:1)) was purchased from Avanti Polar Lipids (Alabaster, Ala.) and solubilized in methanol to 20 mM. Amplex Red was obtained f...				US Patent US10183025 (2019) BindingDB Entry DOI: 10.7270/Q2RN39XZ
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM322064 ((E)-N-(1-(3-(2-((5-Methyl-2H-tetrazol-2-yl)methyl)...) Show SMILES Cc1nnn(Cc2cc(ccc2\C=C\C(=O)N2CCC(CC2)NC(=O)CCCc2c[nH]nn2)C(F)(F)F)n1 Show InChI InChI=1S/C24H28F3N9O2/c1-16-30-34-36(32-16)15-18-13-19(24(25,26)27)7-5-17(18)6-8-23(38)35-11-9-20(10-12-35)29-22(37)4-2-3-21-14-28-33-31-21/h5-8,13-14,20H,2-4,9-12,15H2,1H3,(H,29,37)(H,28,31,33)/b8-6+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Reagents LPC (oleoyl (18:1)) was purchased from Avanti Polar Lipids (Alabaster, Ala.) and solubilized in methanol to 20 mM. Amplex Red was obtained f...				US Patent US10183025 (2019) BindingDB Entry DOI: 10.7270/Q2RN39XZ
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM322002 ((E)-3-(4-Chloro-2-((5-methyl-2H-tetrazol-2-yl)meth...) Show SMILES CC(C)c1nnc(o1)C1CCN(CC1)C(=O)\C=C\c1ccc(Cl)cc1Cn1nnc(C)n1 Show InChI InChI=1S/C22H26ClN7O2/c1-14(2)21-25-26-22(32-21)17-8-10-29(11-9-17)20(31)7-5-16-4-6-19(23)12-18(16)13-30-27-15(3)24-28-30/h4-7,12,14,17H,8-11,13H2,1-3H3/b7-5+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Reagents LPC (oleoyl (18:1)) was purchased from Avanti Polar Lipids (Alabaster, Ala.) and solubilized in methanol to 20 mM. Amplex Red was obtained f...				US Patent US10183025 (2019) BindingDB Entry DOI: 10.7270/Q2RN39XZ
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM322006 ((R,E)-3-(4-Chloro-2-((5-methyl-2H-tetrazol-2-yl)me...) Show SMILES C[C@@H]1CN(Cc2noc(C)n2)CCN1C(=O)\C=C\c1ccc(Cl)cc1Cn1nnc(C)n1 |r| Show InChI InChI=1S/C21H25ClN8O2/c1-14-11-28(13-20-23-16(3)32-26-20)8-9-29(14)21(31)7-5-17-4-6-19(22)10-18(17)12-30-25-15(2)24-27-30/h4-7,10,14H,8-9,11-13H2,1-3H3/b7-5+/t14-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Reagents LPC (oleoyl (18:1)) was purchased from Avanti Polar Lipids (Alabaster, Ala.) and solubilized in methanol to 20 mM. Amplex Red was obtained f...				US Patent US10183025 (2019) BindingDB Entry DOI: 10.7270/Q2RN39XZ
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM322017 ((R,E)-3-(4-Chloro-2-((5-methyl-2H-tetrazol-2-yl)me...) Show SMILES C[C@@H]1CN(Cc2nc(C)no2)CCN1C(=O)\C=C\c1ccc(Cl)cc1Cn1nnc(C)n1 |r| Show InChI InChI=1S/C21H25ClN8O2/c1-14-11-28(13-20-23-15(2)26-32-20)8-9-29(14)21(31)7-5-17-4-6-19(22)10-18(17)12-30-25-16(3)24-27-30/h4-7,10,14H,8-9,11-13H2,1-3H3/b7-5+/t14-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Reagents LPC (oleoyl (18:1)) was purchased from Avanti Polar Lipids (Alabaster, Ala.) and solubilized in methanol to 20 mM. Amplex Red was obtained f...				US Patent US10183025 (2019) BindingDB Entry DOI: 10.7270/Q2RN39XZ
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM321889 ((E)-3-(4-Chloro-2-((5-methyl-2H-tetrazol-2-yl)meth...) Show SMILES Cc1cnc(o1)C1CCN(CC1)C(=O)\C=C\c1ccc(Cl)cc1Cn1nnc(C)n1 Show InChI InChI=1S/C21H23ClN6O2/c1-14-12-23-21(30-14)17-7-9-27(10-8-17)20(29)6-4-16-3-5-19(22)11-18(16)13-28-25-15(2)24-26-28/h3-6,11-12,17H,7-10,13H2,1-2H3/b6-4+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Reagents LPC (oleoyl (18:1)) was purchased from Avanti Polar Lipids (Alabaster, Ala.) and solubilized in methanol to 20 mM. Amplex Red was obtained f...				US Patent US10183025 (2019) BindingDB Entry DOI: 10.7270/Q2RN39XZ
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM321963 ((R,E)-3-(2-((5-Methyl-2H-tetrazol-2-yl)methyl)-4-(...) Show SMILES C[C@@H]1CN(Cc2cnn(C)c2)CCN1C(=O)\C=C\c1ccc(cc1Cn1nnc(C)n1)C(F)(F)F |r| Show InChI InChI=1S/C23H27F3N8O/c1-16-12-32(14-18-11-27-31(3)13-18)8-9-33(16)22(35)7-5-19-4-6-21(23(24,25)26)10-20(19)15-34-29-17(2)28-30-34/h4-7,10-11,13,16H,8-9,12,14-15H2,1-3H3/b7-5+/t16-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD 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
Novartis AG US Patent					Assay Description Reagents LPC (oleoyl (18:1)) was purchased from Avanti Polar Lipids (Alabaster, Ala.) and solubilized in methanol to 20 mM. Amplex Red was obtained f...				US Patent US10183025 (2019) BindingDB Entry DOI: 10.7270/Q2RN39XZ
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM321966 ((R,E)-3-(4-Chloro-2-((5-methyl-2H-tetrazol-2-yl)me...) Show SMILES C[C@@H]1CN(Cc2cnn(C)c2)CCN1C(=O)\C=C\c1ccc(Cl)cc1Cn1nnc(C)n1 |r| Show InChI InChI=1S/C22H27ClN8O/c1-16-12-29(14-18-11-24-28(3)13-18)8-9-30(16)22(32)7-5-19-4-6-21(23)10-20(19)15-31-26-17(2)25-27-31/h4-7,10-11,13,16H,8-9,12,14-15H2,1-3H3/b7-5+/t16-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD 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
Novartis AG US Patent					Assay Description Reagents LPC (oleoyl (18:1)) was purchased from Avanti Polar Lipids (Alabaster, Ala.) and solubilized in methanol to 20 mM. Amplex Red was obtained f...				US Patent US10183025 (2019) BindingDB Entry DOI: 10.7270/Q2RN39XZ
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM321958 (US10183025, Example 66a) Show SMILES Cc1nnn(Cc2cc(Cl)ccc2\C=C\C(=O)N2CCC(CC2)[C@@H](O)c2ccc(Cl)cc2)n1 |r| Show InChI InChI=1S/C24H25Cl2N5O2/c1-16-27-29-31(28-16)15-20-14-22(26)8-2-17(20)5-9-23(32)30-12-10-19(11-13-30)24(33)18-3-6-21(25)7-4-18/h2-9,14,19,24,33H,10-13,15H2,1H3/b9-5+/t24-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD 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
Novartis AG US Patent					Assay Description Reagents LPC (oleoyl (18:1)) was purchased from Avanti Polar Lipids (Alabaster, Ala.) and solubilized in methanol to 20 mM. Amplex Red was obtained f...				US Patent US10183025 (2019) BindingDB Entry DOI: 10.7270/Q2RN39XZ
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM321953 ((R,E)-3-(4-Chloro-2-((5-methyl-2H-tetrazol-2-yl)me...) Show SMILES C[C@@H]1CN(Cc2coc(C)n2)CCN1C(=O)\C=C\c1ccc(Cl)cc1Cn1nnc(C)n1 |r| Show InChI InChI=1S/C22H26ClN7O2/c1-15-11-28(13-21-14-32-17(3)24-21)8-9-29(15)22(31)7-5-18-4-6-20(23)10-19(18)12-30-26-16(2)25-27-30/h4-7,10,14-15H,8-9,11-13H2,1-3H3/b7-5+/t15-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD 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
Novartis AG US Patent					Assay Description Reagents LPC (oleoyl (18:1)) was purchased from Avanti Polar Lipids (Alabaster, Ala.) and solubilized in methanol to 20 mM. Amplex Red was obtained f...				US Patent US10183025 (2019) BindingDB Entry DOI: 10.7270/Q2RN39XZ
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM321961 ((E)-tert-Butyl-4-(3-(2-((5-methyl-2H-tetrazol-2-yl...) Show SMILES Cc1nnn(Cc2cc(ccc2\C=C\C(=O)N2CCN(CC2)C(=O)OC(C)(C)C)C(F)(F)F)n1 Show InChI InChI=1S/C22H27F3N6O3/c1-15-26-28-31(27-15)14-17-13-18(22(23,24)25)7-5-16(17)6-8-19(32)29-9-11-30(12-10-29)20(33)34-21(2,3)4/h5-8,13H,9-12,14H2,1-4H3/b8-6+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Reagents LPC (oleoyl (18:1)) was purchased from Avanti Polar Lipids (Alabaster, Ala.) and solubilized in methanol to 20 mM. Amplex Red was obtained f...				US Patent US10183025 (2019) BindingDB Entry DOI: 10.7270/Q2RN39XZ
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM321957 (US10183025, Example 66 | US10183025, Example 66b |...) Show SMILES Cc1nnn(Cc2cc(Cl)ccc2\C=C\C(=O)N2CCC(CC2)C(O)c2ccc(Cl)cc2)n1 Show InChI InChI=1S/C24H25Cl2N5O2/c1-16-27-29-31(28-16)15-20-14-22(26)8-2-17(20)5-9-23(32)30-12-10-19(11-13-30)24(33)18-3-6-21(25)7-4-18/h2-9,14,19,24,33H,10-13,15H2,1H3/b9-5+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Reagents LPC (oleoyl (18:1)) was purchased from Avanti Polar Lipids (Alabaster, Ala.) and solubilized in methanol to 20 mM. Amplex Red was obtained f...				US Patent US10183025 (2019) BindingDB Entry DOI: 10.7270/Q2RN39XZ
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM321988 ((E)-1-(4-(5-Cyclopropyl-1,3,4-oxadiazol-2-yl)piper...) Show SMILES Cc1nnn(Cc2cc(ccc2\C=C\C(=O)N2CCC(CC2)c2nnc(o2)C2CC2)C(F)(F)F)n1 Show InChI InChI=1S/C23H24F3N7O2/c1-14-27-31-33(30-14)13-18-12-19(23(24,25)26)6-4-15(18)5-7-20(34)32-10-8-17(9-11-32)22-29-28-21(35-22)16-2-3-16/h4-7,12,16-17H,2-3,8-11,13H2,1H3/b7-5+	PDB KEGG UniProtKB/SwissProt B.MOAD 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
Novartis AG US Patent					Assay Description Reagents LPC (oleoyl (18:1)) was purchased from Avanti Polar Lipids (Alabaster, Ala.) and solubilized in methanol to 20 mM. Amplex Red was obtained f...				US Patent US10183025 (2019) BindingDB Entry DOI: 10.7270/Q2RN39XZ
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM322061 ((E)-1-(4-(1-(1H-1,2,3-Triazole-4-carbonyl)piperidi...) Show SMILES Cc1nnn(Cc2cc(Cl)ccc2\C=C\C(=O)N2CCN(CC2)C2CCN(CC2)C(=O)c2c[nH]nn2)n1 Show InChI InChI=1S/C24H29ClN10O2/c1-17-27-31-35(29-17)16-19-14-20(25)4-2-18(19)3-5-23(36)33-12-10-32(11-13-33)21-6-8-34(9-7-21)24(37)22-15-26-30-28-22/h2-5,14-15,21H,6-13,16H2,1H3,(H,26,28,30)/b5-3+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Reagents LPC (oleoyl (18:1)) was purchased from Avanti Polar Lipids (Alabaster, Ala.) and solubilized in methanol to 20 mM. Amplex Red was obtained f...				US Patent US10183025 (2019) BindingDB Entry DOI: 10.7270/Q2RN39XZ
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM321896 (US10183025, Example 30a | US9763957, Example 30a) Show SMILES CC(C)c1noc(n1)[C@H]1CCCCN1C(=O)\C=C\c1ccc(Cl)cc1Cn1nnc(C)n1 |r| Show InChI InChI=1S/C22H26ClN7O2/c1-14(2)21-24-22(32-27-21)19-6-4-5-11-29(19)20(31)10-8-16-7-9-18(23)12-17(16)13-30-26-15(3)25-28-30/h7-10,12,14,19H,4-6,11,13H2,1-3H3/b10-8+/t19-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Reagents LPC (oleoyl (18:1)) was purchased from Avanti Polar Lipids (Alabaster, Ala.) and solubilized in methanol to 20 mM. Amplex Red was obtained f...				US Patent US10183025 (2019) BindingDB Entry DOI: 10.7270/Q2RN39XZ
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM322003 ((E)-3-(2-((5-Methyl-2H-tetrazol-2-yl)methyl)-4-(tr...) Show SMILES Cc1cc(CN2CCN(CC2)C(=O)\C=C\c2ccc(cc2Cn2nnc(C)n2)C(F)(F)F)on1 Show InChI InChI=1S/C22H24F3N7O2/c1-15-11-20(34-28-15)14-30-7-9-31(10-8-30)21(33)6-4-17-3-5-19(22(23,24)25)12-18(17)13-32-27-16(2)26-29-32/h3-6,11-12H,7-10,13-14H2,1-2H3/b6-4+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Reagents LPC (oleoyl (18:1)) was purchased from Avanti Polar Lipids (Alabaster, Ala.) and solubilized in methanol to 20 mM. Amplex Red was obtained f...				US Patent US10183025 (2019) BindingDB Entry DOI: 10.7270/Q2RN39XZ
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM322013 ((E)-3-(4-Chloro-2-((5-methyl-2H-tetrazol-2-yl)meth...) Show SMILES Cc1nnn(Cc2cc(Cl)ccc2\C=C\C(=O)N2CCC(CC2)c2nnc(CC3CCOCC3)o2)n1 Show InChI InChI=1S/C25H30ClN7O3/c1-17-27-31-33(30-17)16-21-15-22(26)4-2-19(21)3-5-24(34)32-10-6-20(7-11-32)25-29-28-23(36-25)14-18-8-12-35-13-9-18/h2-5,15,18,20H,6-14,16H2,1H3/b5-3+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Reagents LPC (oleoyl (18:1)) was purchased from Avanti Polar Lipids (Alabaster, Ala.) and solubilized in methanol to 20 mM. Amplex Red was obtained f...				US Patent US10183025 (2019) BindingDB Entry DOI: 10.7270/Q2RN39XZ
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM322068 ((E)-N-(1-(3-(2-((5-Methyl-2H-tetrazol-2-yl)methyl)...) Show SMILES Cc1nnn(Cc2cc(ccc2\C=C\C(=O)N2CCC(CC2)NC(=O)CCCCCc2cnn[nH]2)C(F)(F)F)n1 Show InChI InChI=1S/C26H32F3N9O2/c1-18-32-36-38(34-18)17-20-15-21(26(27,28)29)9-7-19(20)8-10-25(40)37-13-11-22(12-14-37)31-24(39)6-4-2-3-5-23-16-30-35-33-23/h7-10,15-16,22H,2-6,11-14,17H2,1H3,(H,31,39)(H,30,33,35)/b10-8+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Reagents LPC (oleoyl (18:1)) was purchased from Avanti Polar Lipids (Alabaster, Ala.) and solubilized in methanol to 20 mM. Amplex Red was obtained f...				US Patent US10183025 (2019) BindingDB Entry DOI: 10.7270/Q2RN39XZ
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM322005 ((E)-1-(4-(5-Cyclobutyl-1,3,4-oxadiazol-2-yl)piperi...) Show SMILES Cc1nnn(Cc2cc(ccc2\C=C\C(=O)N2CCC(CC2)c2nnc(o2)C2CCC2)C(F)(F)F)n1 Show InChI InChI=1S/C24H26F3N7O2/c1-15-28-32-34(31-15)14-19-13-20(24(25,26)27)7-5-16(19)6-8-21(35)33-11-9-18(10-12-33)23-30-29-22(36-23)17-3-2-4-17/h5-8,13,17-18H,2-4,9-12,14H2,1H3/b8-6+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Reagents LPC (oleoyl (18:1)) was purchased from Avanti Polar Lipids (Alabaster, Ala.) and solubilized in methanol to 20 mM. Amplex Red was obtained f...				US Patent US10183025 (2019) BindingDB Entry DOI: 10.7270/Q2RN39XZ
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM321954 ((E)-3-(4-Chloro-2-((5-methyl-2H-tetrazol-2-yl)meth...) Show SMILES Cc1csc(n1)C(O)C1CCN(CC1)C(=O)\C=C\c1ccc(Cl)cc1Cn1nnc(C)n1 Show InChI InChI=1S/C22H25ClN6O2S/c1-14-13-32-22(24-14)21(31)17-7-9-28(10-8-17)20(30)6-4-16-3-5-19(23)11-18(16)12-29-26-15(2)25-27-29/h3-6,11,13,17,21,31H,7-10,12H2,1-2H3/b6-4+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Reagents LPC (oleoyl (18:1)) was purchased from Avanti Polar Lipids (Alabaster, Ala.) and solubilized in methanol to 20 mM. Amplex Red was obtained f...				US Patent US10183025 (2019) BindingDB Entry DOI: 10.7270/Q2RN39XZ
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM321967 ((E)-3-(2-((5-Methyl-2H-tetrazol-2-yl)methyl)-4-(tr...) Show SMILES Cc1nnn(Cc2cc(ccc2\C=C\C(=O)N2CCN(Cc3coc(C)n3)CC2)C(F)(F)F)n1 Show InChI InChI=1S/C22H24F3N7O2/c1-15-27-29-32(28-15)12-18-11-19(22(23,24)25)5-3-17(18)4-6-21(33)31-9-7-30(8-10-31)13-20-14-34-16(2)26-20/h3-6,11,14H,7-10,12-13H2,1-2H3/b6-4+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Reagents LPC (oleoyl (18:1)) was purchased from Avanti Polar Lipids (Alabaster, Ala.) and solubilized in methanol to 20 mM. Amplex Red was obtained f...				US Patent US10183025 (2019) BindingDB Entry DOI: 10.7270/Q2RN39XZ
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM321956 ((R,E)-tert-Butyl 2-(3-methyl-4-(3-(2-((5-methyl-2H...) Show SMILES C[C@@H]1CN(CC(=O)OC(C)(C)C)CCN1C(=O)\C=C\c1ccc(cc1Cn1nnc(C)n1)C(F)(F)F |r| Show InChI InChI=1S/C24H31F3N6O3/c1-16-13-31(15-22(35)36-23(3,4)5)10-11-32(16)21(34)9-7-18-6-8-20(24(25,26)27)12-19(18)14-33-29-17(2)28-30-33/h6-9,12,16H,10-11,13-15H2,1-5H3/b9-7+/t16-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Reagents LPC (oleoyl (18:1)) was purchased from Avanti Polar Lipids (Alabaster, Ala.) and solubilized in methanol to 20 mM. Amplex Red was obtained f...				US Patent US10183025 (2019) BindingDB Entry DOI: 10.7270/Q2RN39XZ
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM321867 ((E)-1-(4-(5-Methyl-1,2,4-oxadiazol-3-yl)piperidin-...) Show SMILES Cc1nnn(Cc2cc(ccc2\C=C\C(=O)N2CCC(CC2)c2noc(C)n2)C(F)(F)F)n1 Show InChI InChI=1S/C21H22F3N7O2/c1-13-26-29-31(27-13)12-17-11-18(21(22,23)24)5-3-15(17)4-6-19(32)30-9-7-16(8-10-30)20-25-14(2)33-28-20/h3-6,11,16H,7-10,12H2,1-2H3/b6-4+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.80	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Reagents LPC (oleoyl (18:1)) was purchased from Avanti Polar Lipids (Alabaster, Ala.) and solubilized in methanol to 20 mM. Amplex Red was obtained f...				US Patent US10183025 (2019) BindingDB Entry DOI: 10.7270/Q2RN39XZ
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM322044 ((E)-3-(4-Chloro-2-((5-methyl-2H-tetrazol-2-yl)meth...) Show SMILES COc1ccc(CN2CCN(CC2)C(=O)\C=C\c2ccc(Cl)cc2Cn2nnc(C)n2)nc1 Show InChI InChI=1S/C23H26ClN7O2/c1-17-26-28-31(27-17)15-19-13-20(24)5-3-18(19)4-8-23(32)30-11-9-29(10-12-30)16-21-6-7-22(33-2)14-25-21/h3-8,13-14H,9-12,15-16H2,1-2H3/b8-4+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.90	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Reagents LPC (oleoyl (18:1)) was purchased from Avanti Polar Lipids (Alabaster, Ala.) and solubilized in methanol to 20 mM. Amplex Red was obtained f...				US Patent US10183025 (2019) BindingDB Entry DOI: 10.7270/Q2RN39XZ
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM321927 ((E)-ethyl 1-(3-(4-Chloro-2-((5-methyl-2H-tetrazol-...) Show SMILES CCOC(=O)C1CCN(CC1)C(=O)\C=C\c1ccc(Cl)cc1Cn1nnc(C)n1 Show InChI InChI=1S/C20H24ClN5O3/c1-3-29-20(28)16-8-10-25(11-9-16)19(27)7-5-15-4-6-18(21)12-17(15)13-26-23-14(2)22-24-26/h4-7,12,16H,3,8-11,13H2,1-2H3/b7-5+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.90	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Reagents LPC (oleoyl (18:1)) was purchased from Avanti Polar Lipids (Alabaster, Ala.) and solubilized in methanol to 20 mM. Amplex Red was obtained f...				US Patent US10183025 (2019) BindingDB Entry DOI: 10.7270/Q2RN39XZ
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM321964 ((E)-1-(4-((5-Methyl-1,2,4-oxadiazol-3-yl)methyl)pi...) Show SMILES Cc1nnn(Cc2cc(ccc2\C=C\C(=O)N2CCC(Cc3noc(C)n3)CC2)C(F)(F)F)n1 Show InChI InChI=1S/C22H24F3N7O2/c1-14-27-30-32(28-14)13-18-12-19(22(23,24)25)5-3-17(18)4-6-21(33)31-9-7-16(8-10-31)11-20-26-15(2)34-29-20/h3-6,12,16H,7-11,13H2,1-2H3/b6-4+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Reagents LPC (oleoyl (18:1)) was purchased from Avanti Polar Lipids (Alabaster, Ala.) and solubilized in methanol to 20 mM. Amplex Red was obtained f...				US Patent US10183025 (2019) BindingDB Entry DOI: 10.7270/Q2RN39XZ
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM321957 (US10183025, Example 66 | US10183025, Example 66b |...) Show SMILES Cc1nnn(Cc2cc(Cl)ccc2\C=C\C(=O)N2CCC(CC2)C(O)c2ccc(Cl)cc2)n1 Show InChI InChI=1S/C24H25Cl2N5O2/c1-16-27-29-31(28-16)15-20-14-22(26)8-2-17(20)5-9-23(32)30-12-10-19(11-13-30)24(33)18-3-6-21(25)7-4-18/h2-9,14,19,24,33H,10-13,15H2,1H3/b9-5+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Reagents LPC (oleoyl (18:1)) was purchased from Avanti Polar Lipids (Alabaster, Ala.) and solubilized in methanol to 20 mM. Amplex Red was obtained f...				US Patent US10183025 (2019) BindingDB Entry DOI: 10.7270/Q2RN39XZ
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM322042 ((E)-1-(4-Benzyl-4-hydroxypiperidin-1-yl)-3-(4-chlo...) Show SMILES Cc1nnn(Cc2cc(Cl)ccc2\C=C\C(=O)N2CCC(O)(Cc3ccccc3)CC2)n1 Show InChI InChI=1S/C24H26ClN5O2/c1-18-26-28-30(27-18)17-21-15-22(25)9-7-20(21)8-10-23(31)29-13-11-24(32,12-14-29)16-19-5-3-2-4-6-19/h2-10,15,32H,11-14,16-17H2,1H3/b10-8+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Reagents LPC (oleoyl (18:1)) was purchased from Avanti Polar Lipids (Alabaster, Ala.) and solubilized in methanol to 20 mM. Amplex Red was obtained f...				US Patent US10183025 (2019) BindingDB Entry DOI: 10.7270/Q2RN39XZ
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM321893 ((E)-3-(4-Chloro-2-((5-methyl-2H-tetrazol-2-yl)meth...) Show SMILES Cc1cnn(c1)C1CCN(CC1)C(=O)\C=C\c1ccc(Cl)cc1Cn1nnc(C)n1 Show InChI InChI=1S/C21H24ClN7O/c1-15-12-23-28(13-15)20-7-9-27(10-8-20)21(30)6-4-17-3-5-19(22)11-18(17)14-29-25-16(2)24-26-29/h3-6,11-13,20H,7-10,14H2,1-2H3/b6-4+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Reagents LPC (oleoyl (18:1)) was purchased from Avanti Polar Lipids (Alabaster, Ala.) and solubilized in methanol to 20 mM. Amplex Red was obtained f...				US Patent US10183025 (2019) BindingDB Entry DOI: 10.7270/Q2RN39XZ
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM322007 ((E)-3-(2-((5-Methyl-2H-tetrazol-2-yl)methyl)-4-(tr...) Show SMILES Cc1cc(CN2CCN(CC2)C(=O)\C=C\c2ccc(cc2Cn2nnc(C)n2)C(F)(F)F)no1 Show InChI InChI=1S/C22H24F3N7O2/c1-15-11-20(28-34-15)14-30-7-9-31(10-8-30)21(33)6-4-17-3-5-19(22(23,24)25)12-18(17)13-32-27-16(2)26-29-32/h3-6,11-12H,7-10,13-14H2,1-2H3/b6-4+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.60	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Reagents LPC (oleoyl (18:1)) was purchased from Avanti Polar Lipids (Alabaster, Ala.) and solubilized in methanol to 20 mM. Amplex Red was obtained f...				US Patent US10183025 (2019) BindingDB Entry DOI: 10.7270/Q2RN39XZ
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM322062 ((E)-3-((2-(4-(3-(4-Chloro-2-((5-methyl-2H-tetrazol...) Show SMILES CCOc1c(NCCC2CN(CCO2)C(=O)\C=C\c2ccc(Cl)cc2Cn2nnc(C)n2)c(=O)c1=O Show InChI InChI=1S/C24H27ClN6O5/c1-3-35-24-21(22(33)23(24)34)26-9-8-19-14-30(10-11-36-19)20(32)7-5-16-4-6-18(25)12-17(16)13-31-28-15(2)27-29-31/h4-7,12,19,26H,3,8-11,13-14H2,1-2H3/b7-5+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.90	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Reagents LPC (oleoyl (18:1)) was purchased from Avanti Polar Lipids (Alabaster, Ala.) and solubilized in methanol to 20 mM. Amplex Red was obtained f...				US Patent US10183025 (2019) BindingDB Entry DOI: 10.7270/Q2RN39XZ
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM322025 ((S,E)-3-(2-((5-Methyl-2H-tetrazol-2-yl)methyl)-4-(...) Show SMILES Cc1nnn(Cc2cc(ccc2\C=C\C(=O)N2CCCC[C@H]2C(F)(F)F)C(F)(F)F)n1 |r| Show InChI InChI=1S/C19H19F6N5O/c1-12-26-28-30(27-12)11-14-10-15(18(20,21)22)7-5-13(14)6-8-17(31)29-9-3-2-4-16(29)19(23,24)25/h5-8,10,16H,2-4,9,11H2,1H3/b8-6+/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.90	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Reagents LPC (oleoyl (18:1)) was purchased from Avanti Polar Lipids (Alabaster, Ala.) and solubilized in methanol to 20 mM. Amplex Red was obtained f...				US Patent US10183025 (2019) BindingDB Entry DOI: 10.7270/Q2RN39XZ
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM322041 ((S,E)-3-(2-((5-Methyl-2H-tetrazol-2-yl)methyl)-4-(...) Show SMILES Cc1nnn(Cc2cc(ccc2\C=C\C(=O)N2CCC[C@H]2C(F)(F)F)C(F)(F)F)n1 |r| Show InChI InChI=1S/C18H17F6N5O/c1-11-25-27-29(26-11)10-13-9-14(17(19,20)21)6-4-12(13)5-7-16(30)28-8-2-3-15(28)18(22,23)24/h4-7,9,15H,2-3,8,10H2,1H3/b7-5+/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Reagents LPC (oleoyl (18:1)) was purchased from Avanti Polar Lipids (Alabaster, Ala.) and solubilized in methanol to 20 mM. Amplex Red was obtained f...				US Patent US10183025 (2019) BindingDB Entry DOI: 10.7270/Q2RN39XZ
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM321898 ((E)-3-(4-Chloro-2-((5-methyl-2H-tetrazol-2-yl)meth...) Show SMILES Cc1cnc(CC2CCN(CC2)C(=O)\C=C\c2ccc(Cl)cc2Cn2nnc(C)n2)o1 Show InChI InChI=1S/C22H25ClN6O2/c1-15-13-24-21(31-15)11-17-7-9-28(10-8-17)22(30)6-4-18-3-5-20(23)12-19(18)14-29-26-16(2)25-27-29/h3-6,12-13,17H,7-11,14H2,1-2H3/b6-4+	PDB KEGG UniProtKB/SwissProt B.MOAD 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
Novartis AG US Patent					Assay Description Reagents LPC (oleoyl (18:1)) was purchased from Avanti Polar Lipids (Alabaster, Ala.) and solubilized in methanol to 20 mM. Amplex Red was obtained f...				US Patent US10183025 (2019) BindingDB Entry DOI: 10.7270/Q2RN39XZ
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM321948 ((E)-1-(4-(5-Methyl-1,3,4-oxadiazol-2-yl)piperidin-...) Show SMILES Cc1nnn(Cc2cc(ccc2\C=C\C(=O)N2CCC(CC2)c2nnc(C)o2)C(F)(F)F)n1 Show InChI InChI=1S/C21H22F3N7O2/c1-13-25-29-31(28-13)12-17-11-18(21(22,23)24)5-3-15(17)4-6-19(32)30-9-7-16(8-10-30)20-27-26-14(2)33-20/h3-6,11,16H,7-10,12H2,1-2H3/b6-4+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Reagents LPC (oleoyl (18:1)) was purchased from Avanti Polar Lipids (Alabaster, Ala.) and solubilized in methanol to 20 mM. Amplex Red was obtained f...				US Patent US10183025 (2019) BindingDB Entry DOI: 10.7270/Q2RN39XZ
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM321946 ((E)-3-(4-(Difluoromethyl)-2-((5-methyl-2H-tetrazol...) Show SMILES Cc1nnn(Cc2cc(ccc2\C=C\C(=O)N2CCC(CC2)c2noc(C)n2)C(F)F)n1 Show InChI InChI=1S/C21H23F2N7O2/c1-13-25-28-30(26-13)12-18-11-17(20(22)23)4-3-15(18)5-6-19(31)29-9-7-16(8-10-29)21-24-14(2)32-27-21/h3-6,11,16,20H,7-10,12H2,1-2H3/b6-5+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Reagents LPC (oleoyl (18:1)) was purchased from Avanti Polar Lipids (Alabaster, Ala.) and solubilized in methanol to 20 mM. Amplex Red was obtained f...				US Patent US10183025 (2019) BindingDB Entry DOI: 10.7270/Q2RN39XZ
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM321986 ((E)-2-Methoxy-N-methyl-N-(1-(3-(2-((5-methyl-2H-te...) Show SMILES COCC(=O)N(C)C1CCN(CC1)C(=O)\C=C\c1ccc(cc1Cn1nnc(C)n1)C(F)(F)F Show InChI InChI=1S/C22H27F3N6O3/c1-15-26-28-31(27-15)13-17-12-18(22(23,24)25)6-4-16(17)5-7-20(32)30-10-8-19(9-11-30)29(2)21(33)14-34-3/h4-7,12,19H,8-11,13-14H2,1-3H3/b7-5+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.10	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Reagents LPC (oleoyl (18:1)) was purchased from Avanti Polar Lipids (Alabaster, Ala.) and solubilized in methanol to 20 mM. Amplex Red was obtained f...				US Patent US10183025 (2019) BindingDB Entry DOI: 10.7270/Q2RN39XZ
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM322024 ((E)-3-(4-Chloro-2-((5-methyl-2H-tetrazol-2-yl)meth...) Show SMILES Cc1cnn(CC2CCN(CC2)C(=O)\C=C\c2ccc(Cl)cc2Cn2nnc(C)n2)n1 Show InChI InChI=1S/C21H25ClN8O/c1-15-12-23-29(25-15)13-17-7-9-28(10-8-17)21(31)6-4-18-3-5-20(22)11-19(18)14-30-26-16(2)24-27-30/h3-6,11-12,17H,7-10,13-14H2,1-2H3/b6-4+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.10	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Reagents LPC (oleoyl (18:1)) was purchased from Avanti Polar Lipids (Alabaster, Ala.) and solubilized in methanol to 20 mM. Amplex Red was obtained f...				US Patent US10183025 (2019) BindingDB Entry DOI: 10.7270/Q2RN39XZ
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM321998 ((E)-3-(4-Chloro-2-((5-methyl-2H-tetrazol-2-yl)meth...) Show SMILES Cc1nnn(Cc2cc(Cl)ccc2\C=C\C(=O)N2CCC(CC2)c2nnc(o2)C2CC2)n1 Show InChI InChI=1S/C22H24ClN7O2/c1-14-24-28-30(27-14)13-18-12-19(23)6-4-15(18)5-7-20(31)29-10-8-17(9-11-29)22-26-25-21(32-22)16-2-3-16/h4-7,12,16-17H,2-3,8-11,13H2,1H3/b7-5+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.30	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Reagents LPC (oleoyl (18:1)) was purchased from Avanti Polar Lipids (Alabaster, Ala.) and solubilized in methanol to 20 mM. Amplex Red was obtained f...				US Patent US10183025 (2019) BindingDB Entry DOI: 10.7270/Q2RN39XZ
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM321890 ((E)-3-(4-Chloro-2-((5-methyl-2H-tetrazol-2-yl)meth...) Show SMILES Cc1cnn(n1)C1CCN(CC1)C(=O)\C=C\c1ccc(Cl)cc1Cn1nnc(C)n1 Show InChI InChI=1S/C20H23ClN8O/c1-14-12-22-29(24-14)19-7-9-27(10-8-19)20(30)6-4-16-3-5-18(21)11-17(16)13-28-25-15(2)23-26-28/h3-6,11-12,19H,7-10,13H2,1-2H3/b6-4+	PDB KEGG UniProtKB/SwissProt B.MOAD 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
Novartis AG US Patent					Assay Description Reagents LPC (oleoyl (18:1)) was purchased from Avanti Polar Lipids (Alabaster, Ala.) and solubilized in methanol to 20 mM. Amplex Red was obtained f...				US Patent US10183025 (2019) BindingDB Entry DOI: 10.7270/Q2RN39XZ
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM321864 ((S,E)-1-(2-(5-Methyl-1,3,4-oxadiazol-2-yl)piperidi...) Show SMILES CCOC(=O)c1c(C)ccnc1O[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccccc1-n1nccn1 |r| Show InChI InChI=1S/C24H27N5O4/c1-4-32-24(31)21-16(2)11-12-25-22(21)33-18-10-9-17(3)28(15-18)23(30)19-7-5-6-8-20(19)29-26-13-14-27-29/h5-8,11-14,17-18H,4,9-10,15H2,1-3H3/t17-,18-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.80	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Reagents LPC (oleoyl (18:1)) was purchased from Avanti Polar Lipids (Alabaster, Ala.) and solubilized in methanol to 20 mM. Amplex Red was obtained f...				US Patent US10183025 (2019) BindingDB Entry DOI: 10.7270/Q2RN39XZ
					More data for this Ligand-Target Pair

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