Compile Data Set for Download or QSAR

Found 317 hits with Last Name = 'stanley' and Initial = 'e'   

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))	BDBM50187693 (CHEMBL3186509) Show SMILES Clc1cc(Cl)cc(COC(=O)N2CCN(CCC(=O)c3ccc4[nH]c(=O)oc4c3)CC2)c1 Show InChI InChI=1S/C22H21Cl2N3O5/c23-16-9-14(10-17(24)12-16)13-31-22(30)27-7-5-26(6-8-27)4-3-19(28)15-1-2-18-20(11-15)32-21(29)25-18/h1-2,9-12H,3-8,13H2,(H,25,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of ATX (unknown origin) assessed as decrease in choline release				Bioorg Med Chem Lett 28: 2279-2284 (2018) Article DOI: 10.1016/j.bmcl.2018.05.030 BindingDB Entry DOI: 10.7270/Q2DB84DV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM241106 (US9409895, 17 | US9630945, 17) Show SMILES Clc1cc(Cl)cc(COC(=O)N2CCC(CC2)NC(=O)CCCc2c[nH]nn2)c1 Show InChI InChI=1S/C19H23Cl2N5O3/c20-14-8-13(9-15(21)10-14)12-29-19(28)26-6-4-16(5-7-26)23-18(27)3-1-2-17-11-22-25-24-17/h8-11,16H,1-7,12H2,(H,23,27)(H,22,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase 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 ATX activity was determined by measurement of released choline in reactions containing ATX (10 nM), choline oxidase (0.1 U/ml), HRP (100 U/ml), ample...				US Patent US9409895 (2016) BindingDB Entry DOI: 10.7270/Q2GT5M2G
					More data for this Ligand-Target Pair
Ataxin-2 (Homo sapiens (Human))	BDBM241106 (US9409895, 17 | US9630945, 17) Show SMILES Clc1cc(Cl)cc(COC(=O)N2CCC(CC2)NC(=O)CCCc2c[nH]nn2)c1 Show InChI InChI=1S/C19H23Cl2N5O3/c20-14-8-13(9-15(21)10-14)12-29-19(28)26-6-4-16(5-7-26)23-18(27)3-1-2-17-11-22-25-24-17/h8-11,16H,1-7,12H2,(H,23,27)(H,22,24,25)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase 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 ATX activity was determined by measurement of released choline in reactions containing ATX (10 nM), choline oxidase (0.1 U/ml), HRP (100 U/ml), ample...				US Patent US9630945 (2017) BindingDB Entry DOI: 10.7270/Q25Q4Z5R
					More data for this Ligand-Target Pair
Ataxin-2 (Homo sapiens (Human))	BDBM323247 (3,5-Dichlorobenzyl 4-(4-(2-oxo-2,3-dihydrothiazol-...) Show SMILES Clc1cc(Cl)cc(COC(=O)N2CCC(CC2)NC(=O)CCCc2c[nH]c(=O)s2)c1 Show InChI InChI=1S/C20H23Cl2N3O4S/c21-14-8-13(9-15(22)10-14)12-29-20(28)25-6-4-16(5-7-25)24-18(26)3-1-2-17-11-23-19(27)30-17/h8-11,16H,1-7,12H2,(H,23,27)(H,24,26)	UniProtKB/SwissProt 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 ATX activity was determined by measurement of released choline in reactions containing ATX (10 nM), choline oxidase (0.1 U/ml), HRP (100 U/ml), ample...				US Patent US9630945 (2017) BindingDB Entry DOI: 10.7270/Q25Q4Z5R
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM241108 (US9409895, 19 | US9630945, 19) Show SMILES Clc1cc(Cl)cc(COC(=O)N2CCC(CC2)NC(=O)CCc2c[nH]nn2)c1 Show InChI InChI=1S/C18H21Cl2N5O3/c19-13-7-12(8-14(20)9-13)11-28-18(27)25-5-3-15(4-6-25)22-17(26)2-1-16-10-21-24-23-16/h7-10,15H,1-6,11H2,(H,22,26)(H,21,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description ATX activity was determined by measurement of released choline in reactions containing ATX (10 nM), choline oxidase (0.1 U/ml), HRP (100 U/ml), ample...				US Patent US9409895 (2016) BindingDB Entry DOI: 10.7270/Q2GT5M2G
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM241153 (US9409895, 63 | US9630945, 63) Show SMILES FC(F)(F)c1cc(Br)cc(COC(=O)N2CCC(CC2)NC(=O)CCCc2c[nH]nn2)c1 Show InChI InChI=1S/C20H23BrF3N5O3/c21-15-9-13(8-14(10-15)20(22,23)24)12-32-19(31)29-6-4-16(5-7-29)26-18(30)3-1-2-17-11-25-28-27-17/h8-11,16H,1-7,12H2,(H,26,30)(H,25,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description ATX activity was determined by measurement of released choline in reactions containing ATX (10 nM), choline oxidase (0.1 U/ml), HRP (100 U/ml), ample...				US Patent US9409895 (2016) BindingDB Entry DOI: 10.7270/Q2GT5M2G
					More data for this Ligand-Target Pair
Ataxin-2 (Homo sapiens (Human))	BDBM241108 (US9409895, 19 | US9630945, 19) Show SMILES Clc1cc(Cl)cc(COC(=O)N2CCC(CC2)NC(=O)CCc2c[nH]nn2)c1 Show InChI InChI=1S/C18H21Cl2N5O3/c19-13-7-12(8-14(20)9-13)11-28-18(27)25-5-3-15(4-6-25)22-17(26)2-1-16-10-21-24-23-16/h7-10,15H,1-6,11H2,(H,22,26)(H,21,23,24)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description ATX activity was determined by measurement of released choline in reactions containing ATX (10 nM), choline oxidase (0.1 U/ml), HRP (100 U/ml), ample...				US Patent US9630945 (2017) BindingDB Entry DOI: 10.7270/Q25Q4Z5R
					More data for this Ligand-Target Pair
Ataxin-2 (Homo sapiens (Human))	BDBM241153 (US9409895, 63 | US9630945, 63) Show SMILES FC(F)(F)c1cc(Br)cc(COC(=O)N2CCC(CC2)NC(=O)CCCc2c[nH]nn2)c1 Show InChI InChI=1S/C20H23BrF3N5O3/c21-15-9-13(8-14(10-15)20(22,23)24)12-32-19(31)29-6-4-16(5-7-29)26-18(30)3-1-2-17-11-25-28-27-17/h8-11,16H,1-7,12H2,(H,26,30)(H,25,27,28)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description ATX activity was determined by measurement of released choline in reactions containing ATX (10 nM), choline oxidase (0.1 U/ml), HRP (100 U/ml), ample...				US Patent US9630945 (2017) BindingDB Entry DOI: 10.7270/Q25Q4Z5R
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM241106 (US9409895, 17 | US9630945, 17) Show SMILES Clc1cc(Cl)cc(COC(=O)N2CCC(CC2)NC(=O)CCCc2c[nH]nn2)c1 Show InChI InChI=1S/C19H23Cl2N5O3/c20-14-8-13(9-15(21)10-14)12-29-19(28)26-6-4-16(5-7-26)23-18(27)3-1-2-17-11-22-25-24-17/h8-11,16H,1-7,12H2,(H,23,27)(H,22,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of ATX (unknown origin) assessed as decrease in choline release				Bioorg Med Chem Lett 28: 2279-2284 (2018) Article DOI: 10.1016/j.bmcl.2018.05.030 BindingDB Entry DOI: 10.7270/Q2DB84DV
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM241109 (US9409895, 20 | US9630945, 20) Show SMILES Clc1cc(Cl)cc(COC(=O)N2CCC(CC2)NC(=O)CCCCc2c[nH]nn2)c1 Show InChI InChI=1S/C20H25Cl2N5O3/c21-15-9-14(10-16(22)11-15)13-30-20(29)27-7-5-17(6-8-27)24-19(28)4-2-1-3-18-12-23-26-25-18/h9-12,17H,1-8,13H2,(H,24,28)(H,23,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of ATX (unknown origin) assessed as decrease in choline release				Bioorg Med Chem Lett 28: 2279-2284 (2018) Article DOI: 10.1016/j.bmcl.2018.05.030 BindingDB Entry DOI: 10.7270/Q2DB84DV
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50274089 (CHEMBL4128124) Show SMILES Clc1cc(Cl)cc(COC(=O)N2CC(C2)N2CCN(CC2)C(=O)c2ccc3[nH]c(=O)oc3c2)c1 Show InChI InChI=1S/C23H22Cl2N4O5/c24-16-7-14(8-17(25)10-16)13-33-23(32)29-11-18(12-29)27-3-5-28(6-4-27)21(30)15-1-2-19-20(9-15)34-22(31)26-19/h1-2,7-10,18H,3-6,11-13H2,(H,26,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of ATX (unknown origin) assessed as decrease in choline release				Bioorg Med Chem Lett 28: 2279-2284 (2018) Article DOI: 10.1016/j.bmcl.2018.05.030 BindingDB Entry DOI: 10.7270/Q2DB84DV
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM241109 (US9409895, 20 | US9630945, 20) Show SMILES Clc1cc(Cl)cc(COC(=O)N2CCC(CC2)NC(=O)CCCCc2c[nH]nn2)c1 Show InChI InChI=1S/C20H25Cl2N5O3/c21-15-9-14(10-16(22)11-15)13-30-20(29)27-7-5-17(6-8-27)24-19(28)4-2-1-3-18-12-23-26-25-18/h9-12,17H,1-8,13H2,(H,24,28)(H,23,25,26)	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 ATX activity was determined by measurement of released choline in reactions containing ATX (10 nM), choline oxidase (0.1 U/ml), HRP (100 U/ml), ample...				US Patent US9409895 (2016) BindingDB Entry DOI: 10.7270/Q2GT5M2G
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM241156 (US9409895, 66 | US9630945, 66) Show SMILES FC(F)(F)c1cc(COC(=O)N2CCC(CC2)NC(=O)CCCc2c[nH]nn2)cc(c1)C#N Show InChI InChI=1S/C21H23F3N6O3/c22-21(23,24)16-9-14(11-25)8-15(10-16)13-33-20(32)30-6-4-17(5-7-30)27-19(31)3-1-2-18-12-26-29-28-18/h8-10,12,17H,1-7,13H2,(H,27,31)(H,26,28,29)	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 ATX activity was determined by measurement of released choline in reactions containing ATX (10 nM), choline oxidase (0.1 U/ml), HRP (100 U/ml), ample...				US Patent US9409895 (2016) BindingDB Entry DOI: 10.7270/Q2GT5M2G
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM241157 (US9409895, 67 | US9630945, 67) Show SMILES Clc1cc(Cl)cc(COC(=O)N2CCC(CC2)NC(=O)CCCCCc2c[nH]nn2)c1 Show InChI InChI=1S/C21H27Cl2N5O3/c22-16-10-15(11-17(23)12-16)14-31-21(30)28-8-6-18(7-9-28)25-20(29)5-3-1-2-4-19-13-24-27-26-19/h10-13,18H,1-9,14H2,(H,25,29)(H,24,26,27)	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 ATX activity was determined by measurement of released choline in reactions containing ATX (10 nM), choline oxidase (0.1 U/ml), HRP (100 U/ml), ample...				US Patent US9409895 (2016) BindingDB Entry DOI: 10.7270/Q2GT5M2G
					More data for this Ligand-Target Pair
Ataxin-2 (Homo sapiens (Human))	BDBM241109 (US9409895, 20 | US9630945, 20) Show SMILES Clc1cc(Cl)cc(COC(=O)N2CCC(CC2)NC(=O)CCCCc2c[nH]nn2)c1 Show InChI InChI=1S/C20H25Cl2N5O3/c21-15-9-14(10-16(22)11-15)13-30-20(29)27-7-5-17(6-8-27)24-19(28)4-2-1-3-18-12-23-26-25-18/h9-12,17H,1-8,13H2,(H,24,28)(H,23,25,26)	UniProtKB/SwissProt 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 ATX activity was determined by measurement of released choline in reactions containing ATX (10 nM), choline oxidase (0.1 U/ml), HRP (100 U/ml), ample...				US Patent US9630945 (2017) BindingDB Entry DOI: 10.7270/Q25Q4Z5R
					More data for this Ligand-Target Pair
Ataxin-2 (Homo sapiens (Human))	BDBM241156 (US9409895, 66 | US9630945, 66) Show SMILES FC(F)(F)c1cc(COC(=O)N2CCC(CC2)NC(=O)CCCc2c[nH]nn2)cc(c1)C#N Show InChI InChI=1S/C21H23F3N6O3/c22-21(23,24)16-9-14(11-25)8-15(10-16)13-33-20(32)30-6-4-17(5-7-30)27-19(31)3-1-2-18-12-26-29-28-18/h8-10,12,17H,1-7,13H2,(H,27,31)(H,26,28,29)	UniProtKB/SwissProt 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 ATX activity was determined by measurement of released choline in reactions containing ATX (10 nM), choline oxidase (0.1 U/ml), HRP (100 U/ml), ample...				US Patent US9630945 (2017) BindingDB Entry DOI: 10.7270/Q25Q4Z5R
					More data for this Ligand-Target Pair
Ataxin-2 (Homo sapiens (Human))	BDBM241157 (US9409895, 67 | US9630945, 67) Show SMILES Clc1cc(Cl)cc(COC(=O)N2CCC(CC2)NC(=O)CCCCCc2c[nH]nn2)c1 Show InChI InChI=1S/C21H27Cl2N5O3/c22-16-10-15(11-17(23)12-16)14-31-21(30)28-8-6-18(7-9-28)25-20(29)5-3-1-2-4-19-13-24-27-26-19/h10-13,18H,1-9,14H2,(H,25,29)(H,24,26,27)	UniProtKB/SwissProt 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 ATX activity was determined by measurement of released choline in reactions containing ATX (10 nM), choline oxidase (0.1 U/ml), HRP (100 U/ml), ample...				US Patent US9630945 (2017) BindingDB Entry DOI: 10.7270/Q25Q4Z5R
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM241108 (US9409895, 19 | US9630945, 19) Show SMILES Clc1cc(Cl)cc(COC(=O)N2CCC(CC2)NC(=O)CCc2c[nH]nn2)c1 Show InChI InChI=1S/C18H21Cl2N5O3/c19-13-7-12(8-14(20)9-13)11-28-18(27)25-5-3-15(4-6-25)22-17(26)2-1-16-10-21-24-23-16/h7-10,15H,1-6,11H2,(H,22,26)(H,21,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of ATX (unknown origin) assessed as decrease in choline release				Bioorg Med Chem Lett 28: 2279-2284 (2018) Article DOI: 10.1016/j.bmcl.2018.05.030 BindingDB Entry DOI: 10.7270/Q2DB84DV
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM241152 (US9409895, 62 | US9630945, 62) Show SMILES Cc1cc(COC(=O)N2CCC(CC2)NC(=O)CCCc2c[nH]nn2)cc(c1)C(F)(F)F Show InChI InChI=1S/C21H26F3N5O3/c1-14-9-15(11-16(10-14)21(22,23)24)13-32-20(31)29-7-5-17(6-8-29)26-19(30)4-2-3-18-12-25-28-27-18/h9-12,17H,2-8,13H2,1H3,(H,26,30)(H,25,27,28)	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 ATX activity was determined by measurement of released choline in reactions containing ATX (10 nM), choline oxidase (0.1 U/ml), HRP (100 U/ml), ample...				US Patent US9409895 (2016) BindingDB Entry DOI: 10.7270/Q2GT5M2G
					More data for this Ligand-Target Pair
Ataxin-2 (Homo sapiens (Human))	BDBM241152 (US9409895, 62 | US9630945, 62) Show SMILES Cc1cc(COC(=O)N2CCC(CC2)NC(=O)CCCc2c[nH]nn2)cc(c1)C(F)(F)F Show InChI InChI=1S/C21H26F3N5O3/c1-14-9-15(11-16(10-14)21(22,23)24)13-32-20(31)29-7-5-17(6-8-29)26-19(30)4-2-3-18-12-25-28-27-18/h9-12,17H,2-8,13H2,1H3,(H,26,30)(H,25,27,28)	UniProtKB/SwissProt 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 ATX activity was determined by measurement of released choline in reactions containing ATX (10 nM), choline oxidase (0.1 U/ml), HRP (100 U/ml), ample...				US Patent US9630945 (2017) BindingDB Entry DOI: 10.7270/Q25Q4Z5R
					More data for this Ligand-Target Pair
Ataxin-2 (Homo sapiens (Human))	BDBM323244 (3-Cyano-5-(trifluoromethoxy)benzyl 4-(4-(1H-1,2,3-...) Show SMILES FC(F)(F)Oc1cc(COC(=O)N2CCC(CC2)NC(=O)CCCc2c[nH]nn2)cc(c1)C#N Show InChI InChI=1S/C21H23F3N6O4/c22-21(23,24)34-18-9-14(11-25)8-15(10-18)13-33-20(32)30-6-4-16(5-7-30)27-19(31)3-1-2-17-12-26-29-28-17/h8-10,12,16H,1-7,13H2,(H,27,31)(H,26,28,29)	UniProtKB/SwissProt 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 ATX activity was determined by measurement of released choline in reactions containing ATX (10 nM), choline oxidase (0.1 U/ml), HRP (100 U/ml), ample...				US Patent US9630945 (2017) BindingDB Entry DOI: 10.7270/Q25Q4Z5R
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM241141 (US9409895, 51 | US9630945, 51) Show SMILES Cc1cc(C)cc(COC(=O)N2CCC(CC2)NC(=O)CCCc2c[nH]nn2)c1 Show InChI InChI=1S/C21H29N5O3/c1-15-10-16(2)12-17(11-15)14-29-21(28)26-8-6-18(7-9-26)23-20(27)5-3-4-19-13-22-25-24-19/h10-13,18H,3-9,14H2,1-2H3,(H,23,27)(H,22,24,25)	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 ATX activity was determined by measurement of released choline in reactions containing ATX (10 nM), choline oxidase (0.1 U/ml), HRP (100 U/ml), ample...				US Patent US9409895 (2016) BindingDB Entry DOI: 10.7270/Q2GT5M2G
					More data for this Ligand-Target Pair
Ataxin-2 (Homo sapiens (Human))	BDBM241141 (US9409895, 51 | US9630945, 51) Show SMILES Cc1cc(C)cc(COC(=O)N2CCC(CC2)NC(=O)CCCc2c[nH]nn2)c1 Show InChI InChI=1S/C21H29N5O3/c1-15-10-16(2)12-17(11-15)14-29-21(28)26-8-6-18(7-9-26)23-20(27)5-3-4-19-13-22-25-24-19/h10-13,18H,3-9,14H2,1-2H3,(H,23,27)(H,22,24,25)	UniProtKB/SwissProt 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 ATX activity was determined by measurement of released choline in reactions containing ATX (10 nM), choline oxidase (0.1 U/ml), HRP (100 U/ml), ample...				US Patent US9630945 (2017) BindingDB Entry DOI: 10.7270/Q25Q4Z5R
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM241150 (US9409895, 60 | US9630945, 60) Show SMILES Clc1cc(Cl)cc(COC(=O)N2CCC(CCC(=O)NCc3c[nH]nn3)CC2)c1 Show InChI InChI=1S/C19H23Cl2N5O3/c20-15-7-14(8-16(21)9-15)12-29-19(28)26-5-3-13(4-6-26)1-2-18(27)22-10-17-11-23-25-24-17/h7-9,11,13H,1-6,10,12H2,(H,22,27)(H,23,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description ATX activity was determined by measurement of released choline in reactions containing ATX (10 nM), choline oxidase (0.1 U/ml), HRP (100 U/ml), ample...				US Patent US9409895 (2016) BindingDB Entry DOI: 10.7270/Q2GT5M2G
					More data for this Ligand-Target Pair
Ataxin-2 (Homo sapiens (Human))	BDBM241150 (US9409895, 60 | US9630945, 60) Show SMILES Clc1cc(Cl)cc(COC(=O)N2CCC(CCC(=O)NCc3c[nH]nn3)CC2)c1 Show InChI InChI=1S/C19H23Cl2N5O3/c20-15-7-14(8-16(21)9-15)12-29-19(28)26-5-3-13(4-6-26)1-2-18(27)22-10-17-11-23-25-24-17/h7-9,11,13H,1-6,10,12H2,(H,22,27)(H,23,24,25)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description ATX activity was determined by measurement of released choline in reactions containing ATX (10 nM), choline oxidase (0.1 U/ml), HRP (100 U/ml), ample...				US Patent US9630945 (2017) BindingDB Entry DOI: 10.7270/Q25Q4Z5R
					More data for this Ligand-Target Pair
Ataxin-2 (Homo sapiens (Human))	BDBM323246 (3,4-Dichloro-5-cyanobenzyl 4-(4-(1H-1,2,3-triazol-...) Show SMILES Clc1cc(COC(=O)N2CCC(CC2)NC(=O)CCCc2c[nH]nn2)cc(C#N)c1Cl Show InChI InChI=1S/C20H22Cl2N6O3/c21-17-9-13(8-14(10-23)19(17)22)12-31-20(30)28-6-4-15(5-7-28)25-18(29)3-1-2-16-11-24-27-26-16/h8-9,11,15H,1-7,12H2,(H,25,29)(H,24,26,27)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description ATX activity was determined by measurement of released choline in reactions containing ATX (10 nM), choline oxidase (0.1 U/ml), HRP (100 U/ml), ample...				US Patent US9630945 (2017) BindingDB Entry DOI: 10.7270/Q25Q4Z5R
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM241133 (US9409895, 44 | US9630945, 44) Show SMILES Clc1cc(COC(=O)N2CCC(CC2)NC(=O)CCCc2c[nH]nn2)cc(c1)C#N Show InChI InChI=1S/C20H23ClN6O3/c21-16-9-14(11-22)8-15(10-16)13-30-20(29)27-6-4-17(5-7-27)24-19(28)3-1-2-18-12-23-26-25-18/h8-10,12,17H,1-7,13H2,(H,24,28)(H,23,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.70	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of ATX (unknown origin) assessed as decrease in choline release				Bioorg Med Chem Lett 28: 2279-2284 (2018) Article DOI: 10.1016/j.bmcl.2018.05.030 BindingDB Entry DOI: 10.7270/Q2DB84DV
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM241133 (US9409895, 44 | US9630945, 44) Show SMILES Clc1cc(COC(=O)N2CCC(CC2)NC(=O)CCCc2c[nH]nn2)cc(c1)C#N Show InChI InChI=1S/C20H23ClN6O3/c21-16-9-14(11-22)8-15(10-16)13-30-20(29)27-6-4-17(5-7-27)24-19(28)3-1-2-18-12-23-26-25-18/h8-10,12,17H,1-7,13H2,(H,24,28)(H,23,25,26)	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 ATX activity was determined by measurement of released choline in reactions containing ATX (10 nM), choline oxidase (0.1 U/ml), HRP (100 U/ml), ample...				US Patent US9409895 (2016) BindingDB Entry DOI: 10.7270/Q2GT5M2G
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM241154 (US9409895, 64 | US9630945, 64) Show SMILES Clc1cc(COC(=O)N2CCC(CC2)NC(=O)CCCCc2c[nH]nn2)cc(c1)C#N Show InChI InChI=1S/C21H25ClN6O3/c22-17-10-15(12-23)9-16(11-17)14-31-21(30)28-7-5-18(6-8-28)25-20(29)4-2-1-3-19-13-24-27-26-19/h9-11,13,18H,1-8,14H2,(H,25,29)(H,24,26,27)	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 ATX activity was determined by measurement of released choline in reactions containing ATX (10 nM), choline oxidase (0.1 U/ml), HRP (100 U/ml), ample...				US Patent US9409895 (2016) BindingDB Entry DOI: 10.7270/Q2GT5M2G
					More data for this Ligand-Target Pair
Ataxin-2 (Homo sapiens (Human))	BDBM241133 (US9409895, 44 | US9630945, 44) Show SMILES Clc1cc(COC(=O)N2CCC(CC2)NC(=O)CCCc2c[nH]nn2)cc(c1)C#N Show InChI InChI=1S/C20H23ClN6O3/c21-16-9-14(11-22)8-15(10-16)13-30-20(29)27-6-4-17(5-7-27)24-19(28)3-1-2-18-12-23-26-25-18/h8-10,12,17H,1-7,13H2,(H,24,28)(H,23,25,26)	UniProtKB/SwissProt 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 ATX activity was determined by measurement of released choline in reactions containing ATX (10 nM), choline oxidase (0.1 U/ml), HRP (100 U/ml), ample...				US Patent US9630945 (2017) BindingDB Entry DOI: 10.7270/Q25Q4Z5R
					More data for this Ligand-Target Pair
Ataxin-2 (Homo sapiens (Human))	BDBM241154 (US9409895, 64 | US9630945, 64) Show SMILES Clc1cc(COC(=O)N2CCC(CC2)NC(=O)CCCCc2c[nH]nn2)cc(c1)C#N Show InChI InChI=1S/C21H25ClN6O3/c22-17-10-15(12-23)9-16(11-17)14-31-21(30)28-7-5-18(6-8-28)25-20(29)4-2-1-3-19-13-24-27-26-19/h9-11,13,18H,1-8,14H2,(H,25,29)(H,24,26,27)	UniProtKB/SwissProt 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 ATX activity was determined by measurement of released choline in reactions containing ATX (10 nM), choline oxidase (0.1 U/ml), HRP (100 U/ml), ample...				US Patent US9630945 (2017) BindingDB Entry DOI: 10.7270/Q25Q4Z5R
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50274085 (CHEMBL4129507) Show SMILES OC1(CNC(=O)c2ccc3[nH]c(=O)oc3c2)CCN(CC1)C(=O)OCc1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C22H21Cl2N3O6/c23-15-7-13(8-16(24)10-15)11-32-21(30)27-5-3-22(31,4-6-27)12-25-19(28)14-1-2-17-18(9-14)33-20(29)26-17/h1-2,7-10,31H,3-6,11-12H2,(H,25,28)(H,26,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of ATX (unknown origin) assessed as decrease in choline release				Bioorg Med Chem Lett 28: 2279-2284 (2018) Article DOI: 10.1016/j.bmcl.2018.05.030 BindingDB Entry DOI: 10.7270/Q2DB84DV
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM241106 (US9409895, 17 | US9630945, 17) Show SMILES Clc1cc(Cl)cc(COC(=O)N2CCC(CC2)NC(=O)CCCc2c[nH]nn2)c1 Show InChI InChI=1S/C19H23Cl2N5O3/c20-14-8-13(9-15(21)10-14)12-29-19(28)26-6-4-16(5-7-26)23-18(27)3-1-2-17-11-22-25-24-17/h8-11,16H,1-7,12H2,(H,23,27)(H,22,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of ATX in human serum assessed as reduction in LPA 18:1 levels after 3 hrs by LC-MS/MS analysis				Bioorg Med Chem Lett 28: 2279-2284 (2018) Article DOI: 10.1016/j.bmcl.2018.05.030 BindingDB Entry DOI: 10.7270/Q2DB84DV
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM241146 (US9409895, 56 | US9630945, 56) Show SMILES Cc1cc(Cl)cc(COC(=O)N2CCC(CC2)NC(=O)CCCc2c[nH]nn2)c1 Show InChI InChI=1S/C20H26ClN5O3/c1-14-9-15(11-16(21)10-14)13-29-20(28)26-7-5-17(6-8-26)23-19(27)4-2-3-18-12-22-25-24-18/h9-12,17H,2-8,13H2,1H3,(H,23,27)(H,22,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description ATX activity was determined by measurement of released choline in reactions containing ATX (10 nM), choline oxidase (0.1 U/ml), HRP (100 U/ml), ample...				US Patent US9409895 (2016) BindingDB Entry DOI: 10.7270/Q2GT5M2G
					More data for this Ligand-Target Pair
Ataxin-2 (Homo sapiens (Human))	BDBM241146 (US9409895, 56 | US9630945, 56) Show SMILES Cc1cc(Cl)cc(COC(=O)N2CCC(CC2)NC(=O)CCCc2c[nH]nn2)c1 Show InChI InChI=1S/C20H26ClN5O3/c1-14-9-15(11-16(21)10-14)13-29-20(28)26-7-5-17(6-8-26)23-19(27)4-2-3-18-12-22-25-24-18/h9-12,17H,2-8,13H2,1H3,(H,23,27)(H,22,24,25)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description ATX activity was determined by measurement of released choline in reactions containing ATX (10 nM), choline oxidase (0.1 U/ml), HRP (100 U/ml), ample...				US Patent US9630945 (2017) BindingDB Entry DOI: 10.7270/Q25Q4Z5R
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50274084 (CHEMBL4126051) Show SMILES Clc1cc(Cl)cc(COC(=O)N2CCOC(CCNC(=O)c3ccc4[nH]c(=O)oc4c3)C2)c1 Show InChI InChI=1S/C22H21Cl2N3O6/c23-15-7-13(8-16(24)10-15)12-32-22(30)27-5-6-31-17(11-27)3-4-25-20(28)14-1-2-18-19(9-14)33-21(29)26-18/h1-2,7-10,17H,3-6,11-12H2,(H,25,28)(H,26,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of ATX (unknown origin) assessed as decrease in choline release				Bioorg Med Chem Lett 28: 2279-2284 (2018) Article DOI: 10.1016/j.bmcl.2018.05.030 BindingDB Entry DOI: 10.7270/Q2DB84DV
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM241140 (US9409895, 50 | US9630945, 50) Show SMILES Clc1cc(Cl)cc(COC(=O)N2CC(C2)NC(=O)CCCc2c[nH]nn2)c1 Show InChI InChI=1S/C17H19Cl2N5O3/c18-12-4-11(5-13(19)6-12)10-27-17(26)24-8-15(9-24)21-16(25)3-1-2-14-7-20-23-22-14/h4-7,15H,1-3,8-10H2,(H,21,25)(H,20,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description ATX activity was determined by measurement of released choline in reactions containing ATX (10 nM), choline oxidase (0.1 U/ml), HRP (100 U/ml), ample...				US Patent US9409895 (2016) BindingDB Entry DOI: 10.7270/Q2GT5M2G
					More data for this Ligand-Target Pair
Ataxin-2 (Homo sapiens (Human))	BDBM241140 (US9409895, 50 | US9630945, 50) Show SMILES Clc1cc(Cl)cc(COC(=O)N2CC(C2)NC(=O)CCCc2c[nH]nn2)c1 Show InChI InChI=1S/C17H19Cl2N5O3/c18-12-4-11(5-13(19)6-12)10-27-17(26)24-8-15(9-24)21-16(25)3-1-2-14-7-20-23-22-14/h4-7,15H,1-3,8-10H2,(H,21,25)(H,20,22,23)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description ATX activity was determined by measurement of released choline in reactions containing ATX (10 nM), choline oxidase (0.1 U/ml), HRP (100 U/ml), ample...				US Patent US9630945 (2017) BindingDB Entry DOI: 10.7270/Q25Q4Z5R
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM139143 (US8614213, 19.26) Show SMILES Cc1cc(NC[C@H]2CC[C@@H](CC2)NC(=O)c2cc(ccc2Cl)C(F)(F)F)ncc1F |r,wU:6.5,wD:9.12,(10,.77,;8.67,1.54,;7.34,.77,;6,1.54,;4.67,.77,;3.33,1.54,;2,.77,;2,-.77,;.67,-1.54,;-.67,-.77,;-.67,.77,;.67,1.54,;-2,-1.54,;-3.33,-.77,;-3.33,.77,;-4.67,-1.54,;-6,-.77,;-7.34,-1.54,;-7.34,-3.08,;-6,-3.85,;-4.67,-3.08,;-3.33,-3.85,;-8.67,-.77,;-10,-1.54,;-8.67,.77,;-10,,;6,3.08,;7.34,3.85,;8.67,3.08,;10,3.85,)| Show InChI InChI=1S/C21H22ClF4N3O/c1-12-8-19(28-11-18(12)23)27-10-13-2-5-15(6-3-13)29-20(30)16-9-14(21(24,25)26)4-7-17(16)22/h4,7-9,11,13,15H,2-3,5-6,10H2,1H3,(H,27,28)(H,29,30)/t13-,15-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Chinese hamster ovary (CHO) cells expressing either the human recombinant CRF-1 or CRF-2a receptors (Chen et al., Proc Natl Acad Sci USA 90, 8967-897...				US Patent US8614213 (2013) BindingDB Entry DOI: 10.7270/Q2ZS2V5K
					More data for this Ligand-Target Pair
Ataxin-2 (Homo sapiens (Human))	BDBM323245 (3-Cyano-5-methyl benzyl 4-(4-(1H-1,2,3-triazol-4-y...) Show SMILES Cc1cc(COC(=O)N2CCC(CC2)NC(=O)CCCc2c[nH]nn2)cc(c1)C#N Show InChI InChI=1S/C21H26N6O3/c1-15-9-16(12-22)11-17(10-15)14-30-21(29)27-7-5-18(6-8-27)24-20(28)4-2-3-19-13-23-26-25-19/h9-11,13,18H,2-8,14H2,1H3,(H,24,28)(H,23,25,26)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description ATX activity was determined by measurement of released choline in reactions containing ATX (10 nM), choline oxidase (0.1 U/ml), HRP (100 U/ml), ample...				US Patent US9630945 (2017) BindingDB Entry DOI: 10.7270/Q25Q4Z5R
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM139164 (US8614213, 19.80) Show SMILES FC(F)(F)c1ccc(Cl)c(c1)C(=O)N[C@H]1CC[C@H](CNc2n[nH]cc2-c2ccc(Cl)cc2)CC1 |r,wU:17.18,wD:14.14,(-9.88,-.87,;-8.54,-.1,;-8.54,1.44,;-9.88,.67,;-7.21,-.87,;-7.21,-2.41,;-5.88,-3.18,;-4.54,-2.41,;-3.21,-3.18,;-4.54,-.87,;-5.88,-.1,;-3.21,-.1,;-3.21,1.44,;-1.87,-.87,;-.54,-.1,;.79,-.87,;2.13,-.1,;2.13,1.44,;3.46,2.21,;4.79,1.44,;6.13,2.21,;6.13,3.75,;7.59,4.22,;8.5,2.98,;7.59,1.73,;7.99,.24,;6.9,-.85,;7.3,-2.33,;8.79,-2.73,;9.19,-4.22,;9.88,-1.64,;9.48,-.16,;.79,2.21,;-.54,1.44,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Chinese hamster ovary (CHO) cells expressing either the human recombinant CRF-1 or CRF-2a receptors (Chen et al., Proc Natl Acad Sci USA 90, 8967-897...				US Patent US8614213 (2013) BindingDB Entry DOI: 10.7270/Q2ZS2V5K
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM241151 (US9409895, 61 | US9630945, 61) Show SMILES Clc1cc(Cl)cc(COC(=O)N2CCC(CC(=O)NCCc3c[nH]nn3)CC2)c1 Show InChI InChI=1S/C19H23Cl2N5O3/c20-15-7-14(8-16(21)10-15)12-29-19(28)26-5-2-13(3-6-26)9-18(27)22-4-1-17-11-23-25-24-17/h7-8,10-11,13H,1-6,9,12H2,(H,22,27)(H,23,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description ATX activity was determined by measurement of released choline in reactions containing ATX (10 nM), choline oxidase (0.1 U/ml), HRP (100 U/ml), ample...				US Patent US9409895 (2016) BindingDB Entry DOI: 10.7270/Q2GT5M2G
					More data for this Ligand-Target Pair
Ataxin-2 (Homo sapiens (Human))	BDBM241151 (US9409895, 61 | US9630945, 61) Show SMILES Clc1cc(Cl)cc(COC(=O)N2CCC(CC(=O)NCCc3c[nH]nn3)CC2)c1 Show InChI InChI=1S/C19H23Cl2N5O3/c20-15-7-14(8-16(21)10-15)12-29-19(28)26-5-2-13(3-6-26)9-18(27)22-4-1-17-11-23-25-24-17/h7-8,10-11,13H,1-6,9,12H2,(H,22,27)(H,23,24,25)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description ATX activity was determined by measurement of released choline in reactions containing ATX (10 nM), choline oxidase (0.1 U/ml), HRP (100 U/ml), ample...				US Patent US9630945 (2017) BindingDB Entry DOI: 10.7270/Q25Q4Z5R
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM139152 (US8614213, 19.63) Show SMILES Fc1cccc2[nH]nc(NC[C@H]3CC[C@@H](CC3)NC(=O)c3cc(ccc3Cl)C(F)(F)F)c12 |r,wU:11.10,wD:14.17,(6.74,-1.28,;7.83,-.2,;9.36,-.36,;10.27,.89,;9.64,2.3,;8.11,2.46,;7.2,3.7,;5.74,3.23,;5.74,1.69,;4.4,.92,;3.07,1.69,;1.74,.92,;1.74,-.62,;.4,-1.39,;-.93,-.62,;-.93,.92,;.4,1.69,;-2.26,-1.39,;-3.6,-.62,;-3.6,.92,;-4.93,-1.39,;-6.26,-.62,;-7.6,-1.39,;-7.6,-2.93,;-6.26,-3.7,;-4.93,-2.93,;-3.6,-3.7,;-8.93,-.62,;-10.27,-1.39,;-8.93,.92,;-10.27,.15,;7.2,1.21,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Chinese hamster ovary (CHO) cells expressing either the human recombinant CRF-1 or CRF-2a receptors (Chen et al., Proc Natl Acad Sci USA 90, 8967-897...				US Patent US8614213 (2013) BindingDB Entry DOI: 10.7270/Q2ZS2V5K
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM241147 (US9409895, 57 | US9630945, 57) Show SMILES Clc1cc(Cl)cc(COC(=O)N2CCC(CNC(=O)CCc3cnn[nH]3)CC2)c1 Show InChI InChI=1S/C19H23Cl2N5O3/c20-15-7-14(8-16(21)9-15)12-29-19(28)26-5-3-13(4-6-26)10-22-18(27)2-1-17-11-23-25-24-17/h7-9,11,13H,1-6,10,12H2,(H,22,27)(H,23,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description ATX activity was determined by measurement of released choline in reactions containing ATX (10 nM), choline oxidase (0.1 U/ml), HRP (100 U/ml), ample...				US Patent US9409895 (2016) BindingDB Entry DOI: 10.7270/Q2GT5M2G
					More data for this Ligand-Target Pair
Ataxin-2 (Homo sapiens (Human))	BDBM241147 (US9409895, 57 | US9630945, 57) Show SMILES Clc1cc(Cl)cc(COC(=O)N2CCC(CNC(=O)CCc3cnn[nH]3)CC2)c1 Show InChI InChI=1S/C19H23Cl2N5O3/c20-15-7-14(8-16(21)9-15)12-29-19(28)26-5-3-13(4-6-26)10-22-18(27)2-1-17-11-23-25-24-17/h7-9,11,13H,1-6,10,12H2,(H,22,27)(H,23,24,25)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description ATX activity was determined by measurement of released choline in reactions containing ATX (10 nM), choline oxidase (0.1 U/ml), HRP (100 U/ml), ample...				US Patent US9630945 (2017) BindingDB Entry DOI: 10.7270/Q25Q4Z5R
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM241130 (US9409895, 41 | US9630945, 41) Show SMILES Clc1cc(Cl)cc(COC(=O)N2CCC(CNC(=O)CCCc3cnn[nH]3)CC2)c1 Show InChI InChI=1S/C20H25Cl2N5O3/c21-16-8-15(9-17(22)10-16)13-30-20(29)27-6-4-14(5-7-27)11-23-19(28)3-1-2-18-12-24-26-25-18/h8-10,12,14H,1-7,11,13H2,(H,23,28)(H,24,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description ATX activity was determined by measurement of released choline in reactions containing ATX (10 nM), choline oxidase (0.1 U/ml), HRP (100 U/ml), ample...				US Patent US9409895 (2016) BindingDB Entry DOI: 10.7270/Q2GT5M2G
					More data for this Ligand-Target Pair
Ataxin-2 (Homo sapiens (Human))	BDBM241130 (US9409895, 41 | US9630945, 41) Show SMILES Clc1cc(Cl)cc(COC(=O)N2CCC(CNC(=O)CCCc3cnn[nH]3)CC2)c1 Show InChI InChI=1S/C20H25Cl2N5O3/c21-16-8-15(9-17(22)10-16)13-30-20(29)27-6-4-14(5-7-27)11-23-19(28)3-1-2-18-12-24-26-25-18/h8-10,12,14H,1-7,11,13H2,(H,23,28)(H,24,25,26)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description ATX activity was determined by measurement of released choline in reactions containing ATX (10 nM), choline oxidase (0.1 U/ml), HRP (100 U/ml), ample...				US Patent US9630945 (2017) BindingDB Entry DOI: 10.7270/Q25Q4Z5R
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50274081 (CHEMBL4127145) Show SMILES Clc1cc(Cl)cc(COC(=O)N2CCC(C2)N2CCN(CC2)C(=O)c2ccc3[nH]c(=O)oc3c2)c1 Show InChI InChI=1S/C24H24Cl2N4O5/c25-17-9-15(10-18(26)12-17)14-34-24(33)30-4-3-19(13-30)28-5-7-29(8-6-28)22(31)16-1-2-20-21(11-16)35-23(32)27-20/h1-2,9-12,19H,3-8,13-14H2,(H,27,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of ATX (unknown origin) assessed as decrease in choline release				Bioorg Med Chem Lett 28: 2279-2284 (2018) Article DOI: 10.1016/j.bmcl.2018.05.030 BindingDB Entry DOI: 10.7270/Q2DB84DV
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM139109 (US8614213, 1.13) Show SMILES Cc1ncccc1NC[C@H]1CC[C@@H](CC1)NC(=O)c1cc(ccc1Cl)C(F)(F)F |r,wU:9.9,wD:12.16,(5.33,3.85,;6.67,3.08,;8,3.85,;9.34,3.08,;9.34,1.54,;8,.77,;6.67,1.54,;5.33,.77,;4,1.54,;2.67,.77,;2.67,-.77,;1.33,-1.54,;,-.77,;,.77,;1.33,1.54,;-1.33,-1.54,;-2.67,-.77,;-2.67,.77,;-4,-1.54,;-5.33,-.77,;-6.67,-1.54,;-6.67,-3.08,;-5.33,-3.85,;-4,-3.08,;-2.67,-3.85,;-8,-.77,;-9.34,-1.54,;-8,.77,;-9.34,,)| Show InChI InChI=1S/C21H23ClF3N3O/c1-13-19(3-2-10-26-13)27-12-14-4-7-16(8-5-14)28-20(29)17-11-15(21(23,24)25)6-9-18(17)22/h2-3,6,9-11,14,16,27H,4-5,7-8,12H2,1H3,(H,28,29)/t14-,16-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Chinese hamster ovary (CHO) cells expressing either the human recombinant CRF-1 or CRF-2a receptors (Chen et al., Proc Natl Acad Sci USA 90, 8967-897...				US Patent US8614213 (2013) BindingDB Entry DOI: 10.7270/Q2ZS2V5K
					More data for this Ligand-Target Pair

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