Compile Data Set for Download or QSAR

Found 30 hits Enz. Inhib. hit(s) with all data for entry = 50032663   

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))	BDBM50332925 (3-((3-(4-fluorobenzyl)-2,4-dioxothiazolidin-5-ylid...) Show SMILES OB(O)c1cccc(\C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)c1 Show InChI InChI=1S/C17H13BFNO4S/c19-14-6-4-11(5-7-14)10-20-16(21)15(25-17(20)22)9-12-2-1-3-13(8-12)18(23)24/h1-9,23-24H,10H2/b15-9-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	94	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Inhibition of autotoxin assessed as choline release from LPC using lysophosphatidylcholine as substrate				Bioorg Med Chem Lett 20: 7132-6 (2010) Article DOI: 10.1016/j.bmcl.2010.09.030 BindingDB Entry DOI: 10.7270/Q2TD9XMV
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50332926 (3-((3-(4-fluorobenzyl)-2,4-dioxothiazolidin-5-ylid...) Show SMILES OC(=O)c1cccc(\C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)c1 Show InChI InChI=1S/C18H12FNO4S/c19-14-6-4-11(5-7-14)10-20-16(21)15(25-18(20)24)9-12-2-1-3-13(8-12)17(22)23/h1-9H,10H2,(H,22,23)/b15-9-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	187	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Inhibition of autotoxin assessed as choline release from LPC using lysophosphatidylcholine as substrate				Bioorg Med Chem Lett 20: 7132-6 (2010) Article DOI: 10.1016/j.bmcl.2010.09.030 BindingDB Entry DOI: 10.7270/Q2TD9XMV
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50332927 (4-tetradecanamidobenzylphosphonic acid | CHEMBL163...) Show SMILES CCCCCCCCCCCCCC(=O)Nc1ccc(CP(O)(O)=O)cc1 Show InChI InChI=1S/C21H36NO4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-21(23)22-20-16-14-19(15-17-20)18-27(24,25)26/h14-17H,2-13,18H2,1H3,(H,22,23)(H2,24,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	367	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Inhibition of autotoxin assessed as choline release from LPC using lysophosphatidylcholine as substrate				Bioorg Med Chem Lett 20: 7132-6 (2010) Article DOI: 10.1016/j.bmcl.2010.09.030 BindingDB Entry DOI: 10.7270/Q2TD9XMV
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50332899 (CHEMBL1632521 | CHEMBL1632522 | anti-(3S)-2-hydrox...) Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](Cc1ccc(OCc2ncc(C)c(OC)c2C)cc1)C(=O)CP(O)(O)O |r| Show InChI InChI=1S/C35H57N2O7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-34(39)37-31(33(38)26-45(40,41)42)23-29-19-21-30(22-20-29)44-25-32-28(3)35(43-4)27(2)24-36-32/h19-22,24,31,40-42,45H,5-18,23,25-26H2,1-4H3,(H,37,39)/t31-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Inhibition of autotoxin assessed as choline production after 60 to 180 mins using lysophosphatidylcholine as a substrate by colorimetric method				Bioorg Med Chem Lett 20: 7132-6 (2010) Article DOI: 10.1016/j.bmcl.2010.09.030 BindingDB Entry DOI: 10.7270/Q2TD9XMV
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50332905 (CHEMBL1632527 | CHEMBL1632528 | anti-(3S)-2-hydrox...) Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](Cc1ccc(OCc2cc(OC)ccn2)cc1)C(=O)CP(O)(O)O |r| Show InChI InChI=1S/C33H53N2O7P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-33(37)35-31(32(36)26-43(38,39)40)23-27-17-19-29(20-18-27)42-25-28-24-30(41-2)21-22-34-28/h17-22,24,31,38-40,43H,3-16,23,25-26H2,1-2H3,(H,35,37)/t31-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Inhibition of autotoxin assessed as choline production after 60 to 180 mins using lysophosphatidylcholine as a substrate by colorimetric method				Bioorg Med Chem Lett 20: 7132-6 (2010) Article DOI: 10.1016/j.bmcl.2010.09.030 BindingDB Entry DOI: 10.7270/Q2TD9XMV
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50332919 (CHEMBL1629746 | CHEMBL1632616 | anti-(3S)-2-hydrox...) Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](Cc1ccc(OCc2cc(C)c(OC)c(C)c2)cc1)C(=O)CP(O)(O)O |r| Show InChI InChI=1S/C36H58NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-35(39)37-33(34(38)27-45(40,41)42)25-30-19-21-32(22-20-30)44-26-31-23-28(2)36(43-4)29(3)24-31/h19-24,33,40-42,45H,5-18,25-27H2,1-4H3,(H,37,39)/t33-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Inhibition of autotoxin assessed as choline production after 60 to 180 mins using lysophosphatidylcholine as a substrate by colorimetric method				Bioorg Med Chem Lett 20: 7132-6 (2010) Article DOI: 10.1016/j.bmcl.2010.09.030 BindingDB Entry DOI: 10.7270/Q2TD9XMV
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50332915 (CHEMBL1632612 | CHEMBL1632613 | anti-(3S)-4-(4-(2,...) Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](Cc1ccc(OCc2ccc(C)cc2C)cc1)C(=O)CP(O)(O)O |r| Show InChI InChI=1S/C35H56NO6P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-35(38)36-33(34(37)27-43(39,40)41)25-30-19-22-32(23-20-30)42-26-31-21-18-28(2)24-29(31)3/h18-24,33,39-41,43H,4-17,25-27H2,1-3H3,(H,36,38)/t33-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Inhibition of autotoxin assessed as choline production after 60 to 180 mins using lysophosphatidylcholine as a substrate by colorimetric method				Bioorg Med Chem Lett 20: 7132-6 (2010) Article DOI: 10.1016/j.bmcl.2010.09.030 BindingDB Entry DOI: 10.7270/Q2TD9XMV
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50332905 (CHEMBL1632527 | CHEMBL1632528 | anti-(3S)-2-hydrox...) Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](Cc1ccc(OCc2cc(OC)ccn2)cc1)C(=O)CP(O)(O)O |r| Show InChI InChI=1S/C33H53N2O7P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-33(37)35-31(32(36)26-43(38,39)40)23-27-17-19-29(20-18-27)42-25-28-24-30(41-2)21-22-34-28/h17-22,24,31,38-40,43H,3-16,23,25-26H2,1-2H3,(H,35,37)/t31-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Inhibition of autotoxin assessed as choline production after 60 to 180 mins using lysophosphatidylcholine as a substrate by colorimetric method				Bioorg Med Chem Lett 20: 7132-6 (2010) Article DOI: 10.1016/j.bmcl.2010.09.030 BindingDB Entry DOI: 10.7270/Q2TD9XMV
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50332907 (CHEMBL1632529 | CHEMBL1632530 | anti-(3S)-4-(4-((3...) Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](Cc1ccc(OCc2ncc(C)cc2C)cc1)C(=O)CP(O)(O)O |r| Show InChI InChI=1S/C34H55N2O6P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-34(38)36-31(33(37)26-43(39,40)41)23-29-18-20-30(21-19-29)42-25-32-28(3)22-27(2)24-35-32/h18-22,24,31,39-41,43H,4-17,23,25-26H2,1-3H3,(H,36,38)/t31-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Inhibition of autotoxin assessed as choline production after 60 to 180 mins using lysophosphatidylcholine as a substrate by colorimetric method				Bioorg Med Chem Lett 20: 7132-6 (2010) Article DOI: 10.1016/j.bmcl.2010.09.030 BindingDB Entry DOI: 10.7270/Q2TD9XMV
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50332899 (CHEMBL1632521 | CHEMBL1632522 | anti-(3S)-2-hydrox...) Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](Cc1ccc(OCc2ncc(C)c(OC)c2C)cc1)C(=O)CP(O)(O)O |r| Show InChI InChI=1S/C35H57N2O7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-34(39)37-31(33(38)26-45(40,41)42)23-29-19-21-30(22-20-29)44-25-32-28(3)35(43-4)27(2)24-36-32/h19-22,24,31,40-42,45H,5-18,23,25-26H2,1-4H3,(H,37,39)/t31-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Inhibition of autotoxin assessed as choline production after 60 to 180 mins using lysophosphatidylcholine as a substrate by colorimetric method				Bioorg Med Chem Lett 20: 7132-6 (2010) Article DOI: 10.1016/j.bmcl.2010.09.030 BindingDB Entry DOI: 10.7270/Q2TD9XMV
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50332923 (CHEMBL1632619 | CHEMBL1632620 | anti-(3S)-2-hydrox...) Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](Cc1ccc(OCc2ccc(OC)c(C)c2)cc1)C(=O)CP(O)(O)O |r| Show InChI InChI=1S/C35H56NO7P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-35(38)36-32(33(37)27-44(39,40)41)25-29-18-21-31(22-19-29)43-26-30-20-23-34(42-3)28(2)24-30/h18-24,32,39-41,44H,4-17,25-27H2,1-3H3,(H,36,38)/t32-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Inhibition of autotoxin assessed as choline production after 60 to 180 mins using lysophosphatidylcholine as a substrate by colorimetric method				Bioorg Med Chem Lett 20: 7132-6 (2010) Article DOI: 10.1016/j.bmcl.2010.09.030 BindingDB Entry DOI: 10.7270/Q2TD9XMV
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50332903 (CHEMBL1632525 | CHEMBL1632526 | anti-(3S)-2-hydrox...) Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](Cc1ccc(OCc2ccccn2)cc1)C(=O)CP(O)(O)O |r| Show InChI InChI=1S/C32H51N2O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-32(36)34-30(31(35)26-41(37,38)39)24-27-19-21-29(22-20-27)40-25-28-17-15-16-23-33-28/h15-17,19-23,30,37-39,41H,2-14,18,24-26H2,1H3,(H,34,36)/t30-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Inhibition of autotoxin assessed as choline production after 60 to 180 mins using lysophosphatidylcholine as a substrate by colorimetric method				Bioorg Med Chem Lett 20: 7132-6 (2010) Article DOI: 10.1016/j.bmcl.2010.09.030 BindingDB Entry DOI: 10.7270/Q2TD9XMV
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50332909 (CHEMBL1632531 | CHEMBL1632608 | anti-(3S)-4-(4-((4...) Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](Cc1ccc(OCc2ncc(C)c(OCC)c2C)cc1)C(=O)CP(O)(O)O |r| Show InChI InChI=1S/C36H59N2O7P/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-35(40)38-32(34(39)27-46(41,42)43)24-30-20-22-31(23-21-30)45-26-33-29(4)36(44-6-2)28(3)25-37-33/h20-23,25,32,41-43,46H,5-19,24,26-27H2,1-4H3,(H,38,40)/t32-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Inhibition of autotoxin assessed as choline production after 60 to 180 mins using lysophosphatidylcholine as a substrate by colorimetric method				Bioorg Med Chem Lett 20: 7132-6 (2010) Article DOI: 10.1016/j.bmcl.2010.09.030 BindingDB Entry DOI: 10.7270/Q2TD9XMV
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50332915 (CHEMBL1632612 | CHEMBL1632613 | anti-(3S)-4-(4-(2,...) Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](Cc1ccc(OCc2ccc(C)cc2C)cc1)C(=O)CP(O)(O)O |r| Show InChI InChI=1S/C35H56NO6P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-35(38)36-33(34(37)27-43(39,40)41)25-30-19-22-32(23-20-30)42-26-31-21-18-28(2)24-29(31)3/h18-24,33,39-41,43H,4-17,25-27H2,1-3H3,(H,36,38)/t33-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Inhibition of autotoxin assessed as choline production after 60 to 180 mins using lysophosphatidylcholine as a substrate by colorimetric method				Bioorg Med Chem Lett 20: 7132-6 (2010) Article DOI: 10.1016/j.bmcl.2010.09.030 BindingDB Entry DOI: 10.7270/Q2TD9XMV
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50332919 (CHEMBL1629746 | CHEMBL1632616 | anti-(3S)-2-hydrox...) Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](Cc1ccc(OCc2cc(C)c(OC)c(C)c2)cc1)C(=O)CP(O)(O)O |r| Show InChI InChI=1S/C36H58NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-35(39)37-33(34(38)27-45(40,41)42)25-30-19-21-32(22-20-30)44-26-31-23-28(2)36(43-4)29(3)24-31/h19-24,33,40-42,45H,5-18,25-27H2,1-4H3,(H,37,39)/t33-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Inhibition of autotoxin assessed as choline production after 60 to 180 mins using lysophosphatidylcholine as a substrate by colorimetric method				Bioorg Med Chem Lett 20: 7132-6 (2010) Article DOI: 10.1016/j.bmcl.2010.09.030 BindingDB Entry DOI: 10.7270/Q2TD9XMV
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50332909 (CHEMBL1632531 | CHEMBL1632608 | anti-(3S)-4-(4-((4...) Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](Cc1ccc(OCc2ncc(C)c(OCC)c2C)cc1)C(=O)CP(O)(O)O |r| Show InChI InChI=1S/C36H59N2O7P/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-35(40)38-32(34(39)27-46(41,42)43)24-30-20-22-31(23-21-30)45-26-33-29(4)36(44-6-2)28(3)25-37-33/h20-23,25,32,41-43,46H,5-19,24,26-27H2,1-4H3,(H,38,40)/t32-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Inhibition of autotoxin assessed as choline production after 60 to 180 mins using lysophosphatidylcholine as a substrate by colorimetric method				Bioorg Med Chem Lett 20: 7132-6 (2010) Article DOI: 10.1016/j.bmcl.2010.09.030 BindingDB Entry DOI: 10.7270/Q2TD9XMV
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50332911 (CHEMBL1632607 | CHEMBL1632609 | anti-(3S)-2-hydrox...) Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](Cc1ccc(OCc2ncc(C)c(OC(C)C)c2C)cc1)C(=O)CP(O)(O)O |r| Show InChI InChI=1S/C37H61N2O7P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-36(41)39-33(35(40)27-47(42,43)44)24-31-20-22-32(23-21-31)45-26-34-30(5)37(46-28(2)3)29(4)25-38-34/h20-23,25,28,33,42-44,47H,6-19,24,26-27H2,1-5H3,(H,39,41)/t33-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Inhibition of autotoxin assessed as choline production after 60 to 180 mins using lysophosphatidylcholine as a substrate by colorimetric method				Bioorg Med Chem Lett 20: 7132-6 (2010) Article DOI: 10.1016/j.bmcl.2010.09.030 BindingDB Entry DOI: 10.7270/Q2TD9XMV
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50332903 (CHEMBL1632525 | CHEMBL1632526 | anti-(3S)-2-hydrox...) Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](Cc1ccc(OCc2ccccn2)cc1)C(=O)CP(O)(O)O |r| Show InChI InChI=1S/C32H51N2O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-32(36)34-30(31(35)26-41(37,38)39)24-27-19-21-29(22-20-27)40-25-28-17-15-16-23-33-28/h15-17,19-23,30,37-39,41H,2-14,18,24-26H2,1H3,(H,34,36)/t30-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Inhibition of autotoxin assessed as choline production after 60 to 180 mins using lysophosphatidylcholine as a substrate by colorimetric method				Bioorg Med Chem Lett 20: 7132-6 (2010) Article DOI: 10.1016/j.bmcl.2010.09.030 BindingDB Entry DOI: 10.7270/Q2TD9XMV
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50332911 (CHEMBL1632607 | CHEMBL1632609 | anti-(3S)-2-hydrox...) Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](Cc1ccc(OCc2ncc(C)c(OC(C)C)c2C)cc1)C(=O)CP(O)(O)O |r| Show InChI InChI=1S/C37H61N2O7P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-36(41)39-33(35(40)27-47(42,43)44)24-31-20-22-32(23-21-31)45-26-34-30(5)37(46-28(2)3)29(4)25-38-34/h20-23,25,28,33,42-44,47H,6-19,24,26-27H2,1-5H3,(H,39,41)/t33-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.11E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Inhibition of autotoxin assessed as choline production after 60 to 180 mins using lysophosphatidylcholine as a substrate by colorimetric method				Bioorg Med Chem Lett 20: 7132-6 (2010) Article DOI: 10.1016/j.bmcl.2010.09.030 BindingDB Entry DOI: 10.7270/Q2TD9XMV
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50332913 (CHEMBL1632610 | CHEMBL1632611 | anti-(3S)-2-hydrox...) Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](Cc1ccc(OCc2cc(OCC(F)(F)F)ccn2)cc1)C(=O)CP(O)(O)O |r| Show InChI InChI=1S/C34H52F3N2O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-33(41)39-31(32(40)25-47(42,43)44)22-27-16-18-29(19-17-27)45-24-28-23-30(20-21-38-28)46-26-34(35,36)37/h16-21,23,31,42-44,47H,2-15,22,24-26H2,1H3,(H,39,41)/t31-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.16E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Inhibition of autotoxin assessed as choline production after 60 to 180 mins using lysophosphatidylcholine as a substrate by colorimetric method				Bioorg Med Chem Lett 20: 7132-6 (2010) Article DOI: 10.1016/j.bmcl.2010.09.030 BindingDB Entry DOI: 10.7270/Q2TD9XMV
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50332913 (CHEMBL1632610 | CHEMBL1632611 | anti-(3S)-2-hydrox...) Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](Cc1ccc(OCc2cc(OCC(F)(F)F)ccn2)cc1)C(=O)CP(O)(O)O |r| Show InChI InChI=1S/C34H52F3N2O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-33(41)39-31(32(40)25-47(42,43)44)22-27-16-18-29(19-17-27)45-24-28-23-30(20-21-38-28)46-26-34(35,36)37/h16-21,23,31,42-44,47H,2-15,22,24-26H2,1H3,(H,39,41)/t31-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.25E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Inhibition of autotoxin assessed as choline production after 60 to 180 mins using lysophosphatidylcholine as a substrate by colorimetric method				Bioorg Med Chem Lett 20: 7132-6 (2010) Article DOI: 10.1016/j.bmcl.2010.09.030 BindingDB Entry DOI: 10.7270/Q2TD9XMV
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50332923 (CHEMBL1632619 | CHEMBL1632620 | anti-(3S)-2-hydrox...) Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](Cc1ccc(OCc2ccc(OC)c(C)c2)cc1)C(=O)CP(O)(O)O |r| Show InChI InChI=1S/C35H56NO7P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-35(38)36-32(33(37)27-44(39,40)41)25-29-18-21-31(22-19-29)43-26-30-20-23-34(42-3)28(2)24-30/h18-24,32,39-41,44H,4-17,25-27H2,1-3H3,(H,36,38)/t32-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.65E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Inhibition of autotoxin assessed as choline production after 60 to 180 mins using lysophosphatidylcholine as a substrate by colorimetric method				Bioorg Med Chem Lett 20: 7132-6 (2010) Article DOI: 10.1016/j.bmcl.2010.09.030 BindingDB Entry DOI: 10.7270/Q2TD9XMV
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50332901 (CHEMBL1632523 | CHEMBL1632524 | anti-(3S)-4-(4-(be...) Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)CP(O)(O)O |r| Show InChI InChI=1S/C33H52NO6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-33(36)34-31(32(35)27-41(37,38)39)25-28-21-23-30(24-22-28)40-26-29-18-15-14-16-19-29/h14-16,18-19,21-24,31,37-39,41H,2-13,17,20,25-27H2,1H3,(H,34,36)/t31-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Inhibition of autotoxin assessed as choline production after 60 to 180 mins using lysophosphatidylcholine as a substrate by colorimetric method				Bioorg Med Chem Lett 20: 7132-6 (2010) Article DOI: 10.1016/j.bmcl.2010.09.030 BindingDB Entry DOI: 10.7270/Q2TD9XMV
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50332928 ((3S)-1-bromo-3-hydroxy-4-(stearoyloxy)butylphospho...) Show SMILES CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)CC(Br)P(O)(O)=O |r| Show InChI InChI=1S/C22H44BrO6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(25)29-19-20(24)18-21(23)30(26,27)28/h20-21,24H,2-19H2,1H3,(H2,26,27,28)/t20-,21?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	4.01E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Inhibition of autotoxin assessed as choline release from LPC using lysophosphatidylcholine as substrate				Bioorg Med Chem Lett 20: 7132-6 (2010) Article DOI: 10.1016/j.bmcl.2010.09.030 BindingDB Entry DOI: 10.7270/Q2TD9XMV
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50332901 (CHEMBL1632523 | CHEMBL1632524 | anti-(3S)-4-(4-(be...) Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)CP(O)(O)O |r| Show InChI InChI=1S/C33H52NO6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-33(36)34-31(32(35)27-41(37,38)39)25-28-21-23-30(24-22-28)40-26-29-18-15-14-16-19-29/h14-16,18-19,21-24,31,37-39,41H,2-13,17,20,25-27H2,1H3,(H,34,36)/t31-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Inhibition of autotoxin assessed as choline production after 60 to 180 mins using lysophosphatidylcholine as a substrate by colorimetric method				Bioorg Med Chem Lett 20: 7132-6 (2010) Article DOI: 10.1016/j.bmcl.2010.09.030 BindingDB Entry DOI: 10.7270/Q2TD9XMV
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50332921 (CHEMBL1632617 | CHEMBL1632618 | anti-(3S)-4-(4-(3,...) Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](Cc1ccc(OCc2cc(C)cc(C)c2)cc1)C(=O)CP(O)(O)O |r| Show InChI InChI=1S/C35H56NO6P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-35(38)36-33(34(37)27-43(39,40)41)25-30-18-20-32(21-19-30)42-26-31-23-28(2)22-29(3)24-31/h18-24,33,39-41,43H,4-17,25-27H2,1-3H3,(H,36,38)/t33-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.89E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Inhibition of autotoxin assessed as choline production after 60 to 180 mins using lysophosphatidylcholine as a substrate by colorimetric method				Bioorg Med Chem Lett 20: 7132-6 (2010) Article DOI: 10.1016/j.bmcl.2010.09.030 BindingDB Entry DOI: 10.7270/Q2TD9XMV
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50332921 (CHEMBL1632617 | CHEMBL1632618 | anti-(3S)-4-(4-(3,...) Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](Cc1ccc(OCc2cc(C)cc(C)c2)cc1)C(=O)CP(O)(O)O |r| Show InChI InChI=1S/C35H56NO6P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-35(38)36-33(34(37)27-43(39,40)41)25-30-18-20-32(21-19-30)42-26-31-23-28(2)22-29(3)24-31/h18-24,33,39-41,43H,4-17,25-27H2,1-3H3,(H,36,38)/t33-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.18E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Inhibition of autotoxin assessed as choline production after 60 to 180 mins using lysophosphatidylcholine as a substrate by colorimetric method				Bioorg Med Chem Lett 20: 7132-6 (2010) Article DOI: 10.1016/j.bmcl.2010.09.030 BindingDB Entry DOI: 10.7270/Q2TD9XMV
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50332907 (CHEMBL1632529 | CHEMBL1632530 | anti-(3S)-4-(4-((3...) Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](Cc1ccc(OCc2ncc(C)cc2C)cc1)C(=O)CP(O)(O)O |r| Show InChI InChI=1S/C34H55N2O6P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-34(38)36-31(33(37)26-43(39,40)41)23-29-18-20-30(21-19-29)42-25-32-28(3)22-27(2)24-35-32/h18-22,24,31,39-41,43H,4-17,23,25-26H2,1-3H3,(H,36,38)/t31-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.99E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Inhibition of autotoxin assessed as choline production after 60 to 180 mins using lysophosphatidylcholine as a substrate by colorimetric method				Bioorg Med Chem Lett 20: 7132-6 (2010) Article DOI: 10.1016/j.bmcl.2010.09.030 BindingDB Entry DOI: 10.7270/Q2TD9XMV
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50332917 (CHEMBL1632614 | CHEMBL1632615 | anti-(3S)-4-(4-(2,...) Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(=O)CP(O)(O)O |r| Show InChI InChI=1S/C33H50Cl2NO6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-33(38)36-31(32(37)25-43(39,40)41)22-26-16-20-29(21-17-26)42-24-27-18-19-28(34)23-30(27)35/h16-21,23,31,39-41,43H,2-15,22,24-25H2,1H3,(H,36,38)/t31-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.84E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Inhibition of autotoxin assessed as choline production after 60 to 180 mins using lysophosphatidylcholine as a substrate by colorimetric method				Bioorg Med Chem Lett 20: 7132-6 (2010) Article DOI: 10.1016/j.bmcl.2010.09.030 BindingDB Entry DOI: 10.7270/Q2TD9XMV
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50332917 (CHEMBL1632614 | CHEMBL1632615 | anti-(3S)-4-(4-(2,...) Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(=O)CP(O)(O)O |r| Show InChI InChI=1S/C33H50Cl2NO6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-33(38)36-31(32(37)25-43(39,40)41)22-26-16-20-29(21-17-26)42-24-27-18-19-28(34)23-30(27)35/h16-21,23,31,39-41,43H,2-15,22,24-25H2,1H3,(H,36,38)/t31-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.06E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by ChEMBL					Assay Description Inhibition of autotoxin assessed as choline production after 60 to 180 mins using lysophosphatidylcholine as a substrate by colorimetric method				Bioorg Med Chem Lett 20: 7132-6 (2010) Article DOI: 10.1016/j.bmcl.2010.09.030 BindingDB Entry DOI: 10.7270/Q2TD9XMV
					More data for this Ligand-Target Pair