Compile Data Set for Download or QSAR

Found 29 hits Enz. Inhib. hit(s) with all data for entry = 50001123   

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	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Graduate School of New Drug Discovery and Development, Chungnam National University, Daejeon 305-764, Republic of Korea. Curated by ChEMBL					Assay Description Inhibition of recombinant human ATX beta expressed in HEK293 cells using LPC as substrate measured after 30 mins by LC-MS/MS analysis				Bioorg Med Chem Lett 27: 4156-4164 (2017) Article DOI: 10.1016/j.bmcl.2017.07.022 BindingDB Entry DOI: 10.7270/Q24F1T6B
					More data for this Ligand-Target Pair				3D Structure (crystal)
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50269714 (CHEMBL4092264) Show SMILES OP(O)(=O)Cc1ccc(cc1)-c1csc(n1)C(=O)NC1CCN(CC1)C(=O)OCc1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C24H24Cl2N3O6PS/c25-18-9-16(10-19(26)11-18)12-35-24(31)29-7-5-20(6-8-29)27-22(30)23-28-21(14-37-23)17-3-1-15(2-4-17)13-36(32,33)34/h1-4,9-11,14,20H,5-8,12-13H2,(H,27,30)(H2,32,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Graduate School of New Drug Discovery and Development, Chungnam National University, Daejeon 305-764, Republic of Korea. Curated by ChEMBL					Assay Description Inhibition of human ATX using FS-3 as substrate measured every 5 mins for 30 mins by fluorescence assay				Bioorg Med Chem Lett 27: 4156-4164 (2017) Article DOI: 10.1016/j.bmcl.2017.07.022 BindingDB Entry DOI: 10.7270/Q24F1T6B
					More data for this Ligand-Target Pair
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	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Graduate School of New Drug Discovery and Development, Chungnam National University, Daejeon 305-764, Republic of Korea. Curated by ChEMBL					Assay Description Inhibition of recombinant human ATX beta expressed in HEK293 cells using FS-3 as substrate pretreated for 15 mins followed by substrate addition meas...				Bioorg Med Chem Lett 27: 4156-4164 (2017) Article DOI: 10.1016/j.bmcl.2017.07.022 BindingDB Entry DOI: 10.7270/Q24F1T6B
					More data for this Ligand-Target Pair				3D Structure (crystal)
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50269709 (CHEMBL4065817) Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1csc(n1)C(=O)NC1CCN(CC1)C(=O)OCc1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C24H24Cl2N4O5S2/c1-37(33,34)29-20-4-2-16(3-5-20)21-14-36-23(28-21)22(31)27-19-6-8-30(9-7-19)24(32)35-13-15-10-17(25)12-18(26)11-15/h2-5,10-12,14,19,29H,6-9,13H2,1H3,(H,27,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Graduate School of New Drug Discovery and Development, Chungnam National University, Daejeon 305-764, Republic of Korea. Curated by ChEMBL					Assay Description Inhibition of human ATX using FS-3 as substrate measured every 5 mins for 30 mins by fluorescence assay				Bioorg Med Chem Lett 27: 4156-4164 (2017) Article DOI: 10.1016/j.bmcl.2017.07.022 BindingDB Entry DOI: 10.7270/Q24F1T6B
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50269724 (CHEMBL4087949) Show SMILES NS(=O)(=O)c1cc(ccc1Cl)-c1csc(n1)C(=O)NC1CCN(CC1)C(=O)OCc1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C23H21Cl3N4O5S2/c24-15-7-13(8-16(25)10-15)11-35-23(32)30-5-3-17(4-6-30)28-21(31)22-29-19(12-36-22)14-1-2-18(26)20(9-14)37(27,33)34/h1-2,7-10,12,17H,3-6,11H2,(H,28,31)(H2,27,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
Graduate School of New Drug Discovery and Development, Chungnam National University, Daejeon 305-764, Republic of Korea. Curated by ChEMBL					Assay Description Inhibition of human ATX using FS-3 as substrate measured every 5 mins for 30 mins by fluorescence assay				Bioorg Med Chem Lett 27: 4156-4164 (2017) Article DOI: 10.1016/j.bmcl.2017.07.022 BindingDB Entry DOI: 10.7270/Q24F1T6B
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50269725 (CHEMBL4064505) Show SMILES OP(O)(=O)Cc1ccc(cc1)-c1csc(NC2CCN(C2)C(=O)OCc2ccccc2)n1 Show InChI InChI=1S/C22H24N3O5PS/c26-22(30-13-16-4-2-1-3-5-16)25-11-10-19(12-25)23-21-24-20(15-32-21)18-8-6-17(7-9-18)14-31(27,28)29/h1-9,15,19H,10-14H2,(H,23,24)(H2,27,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Graduate School of New Drug Discovery and Development, Chungnam National University, Daejeon 305-764, Republic of Korea. Curated by ChEMBL					Assay Description Inhibition of human ATX using FS-3 as substrate measured every 5 mins for 30 mins by fluorescence assay				Bioorg Med Chem Lett 27: 4156-4164 (2017) Article DOI: 10.1016/j.bmcl.2017.07.022 BindingDB Entry DOI: 10.7270/Q24F1T6B
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50269726 (CHEMBL4099035) Show SMILES OP(O)(=O)Cc1ccc(cc1)-c1csc(n1)C(=O)NC1CCN(CC1)C(=O)OCc1ccccc1 Show InChI InChI=1S/C24H26N3O6PS/c28-22(23-26-21(16-35-23)19-8-6-18(7-9-19)15-34(30,31)32)25-20-10-12-27(13-11-20)24(29)33-14-17-4-2-1-3-5-17/h1-9,16,20H,10-15H2,(H,25,28)(H2,30,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Graduate School of New Drug Discovery and Development, Chungnam National University, Daejeon 305-764, Republic of Korea. Curated by ChEMBL					Assay Description Inhibition of human ATX using FS-3 as substrate measured every 5 mins for 30 mins by fluorescence assay				Bioorg Med Chem Lett 27: 4156-4164 (2017) Article DOI: 10.1016/j.bmcl.2017.07.022 BindingDB Entry DOI: 10.7270/Q24F1T6B
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50269714 (CHEMBL4092264) Show SMILES OP(O)(=O)Cc1ccc(cc1)-c1csc(n1)C(=O)NC1CCN(CC1)C(=O)OCc1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C24H24Cl2N3O6PS/c25-18-9-16(10-19(26)11-18)12-35-24(31)29-7-5-20(6-8-29)27-22(30)23-28-21(14-37-23)17-3-1-15(2-4-17)13-36(32,33)34/h1-4,9-11,14,20H,5-8,12-13H2,(H,27,30)(H2,32,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Graduate School of New Drug Discovery and Development, Chungnam National University, Daejeon 305-764, Republic of Korea. Curated by ChEMBL					Assay Description Inhibition of ATX in human plasma using LPC as substrate pretreated for 15 mins followed by substrate addition measured after 3 hrs by LC-MS/MS analy...				Bioorg Med Chem Lett 27: 4156-4164 (2017) Article DOI: 10.1016/j.bmcl.2017.07.022 BindingDB Entry DOI: 10.7270/Q24F1T6B
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50269708 (CHEMBL4083514) Show SMILES COc1ccc(cc1)-c1csc(n1)C(=O)NC1CCN(CC1)C(=O)OCc1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C24H23Cl2N3O4S/c1-32-20-4-2-16(3-5-20)21-14-34-23(28-21)22(30)27-19-6-8-29(9-7-19)24(31)33-13-15-10-17(25)12-18(26)11-15/h2-5,10-12,14,19H,6-9,13H2,1H3,(H,27,30)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Graduate School of New Drug Discovery and Development, Chungnam National University, Daejeon 305-764, Republic of Korea. Curated by ChEMBL					Assay Description Inhibition of human ATX using FS-3 as substrate measured every 5 mins for 30 mins by fluorescence assay				Bioorg Med Chem Lett 27: 4156-4164 (2017) Article DOI: 10.1016/j.bmcl.2017.07.022 BindingDB Entry DOI: 10.7270/Q24F1T6B
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50269707 (CHEMBL4102606) Show SMILES Clc1ccc(cc1)-c1csc(n1)C(=O)NC1CCN(CC1)C(=O)OCc1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C23H20Cl3N3O3S/c24-16-3-1-15(2-4-16)20-13-33-22(28-20)21(30)27-19-5-7-29(8-6-19)23(31)32-12-14-9-17(25)11-18(26)10-14/h1-4,9-11,13,19H,5-8,12H2,(H,27,30)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
Graduate School of New Drug Discovery and Development, Chungnam National University, Daejeon 305-764, Republic of Korea. Curated by ChEMBL					Assay Description Inhibition of human ATX using FS-3 as substrate measured every 5 mins for 30 mins by fluorescence assay				Bioorg Med Chem Lett 27: 4156-4164 (2017) Article DOI: 10.1016/j.bmcl.2017.07.022 BindingDB Entry DOI: 10.7270/Q24F1T6B
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50269730 (CHEMBL4072746) Show SMILES OP(O)(=O)Cc1ccc(cc1)-c1csc(NC2CCN(CC2)C(=O)OCc2ccccc2)n1 Show InChI InChI=1S/C23H26N3O5PS/c27-23(31-14-17-4-2-1-3-5-17)26-12-10-20(11-13-26)24-22-25-21(16-33-22)19-8-6-18(7-9-19)15-32(28,29)30/h1-9,16,20H,10-15H2,(H,24,25)(H2,28,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	76	n/a	n/a	n/a	n/a	n/a	n/a
Graduate School of New Drug Discovery and Development, Chungnam National University, Daejeon 305-764, Republic of Korea. Curated by ChEMBL					Assay Description Inhibition of human ATX using FS-3 as substrate measured every 5 mins for 30 mins by fluorescence assay				Bioorg Med Chem Lett 27: 4156-4164 (2017) Article DOI: 10.1016/j.bmcl.2017.07.022 BindingDB Entry DOI: 10.7270/Q24F1T6B
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50269717 (CHEMBL4078143) Show SMILES CS(=O)(=O)Nc1cccc(c1)-c1csc(NC2CCN(CC2)C(=O)OCc2cc(Cl)cc(Cl)c2)n1 Show InChI InChI=1S/C23H24Cl2N4O4S2/c1-35(31,32)28-20-4-2-3-16(11-20)21-14-34-22(27-21)26-19-5-7-29(8-6-19)23(30)33-13-15-9-17(24)12-18(25)10-15/h2-4,9-12,14,19,28H,5-8,13H2,1H3,(H,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
Graduate School of New Drug Discovery and Development, Chungnam National University, Daejeon 305-764, Republic of Korea. Curated by ChEMBL					Assay Description Inhibition of human ATX using FS-3 as substrate measured every 5 mins for 30 mins by fluorescence assay				Bioorg Med Chem Lett 27: 4156-4164 (2017) Article DOI: 10.1016/j.bmcl.2017.07.022 BindingDB Entry DOI: 10.7270/Q24F1T6B
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50269716 (CHEMBL4077079) Show SMILES NS(=O)(=O)c1cc(ccc1Cl)-c1csc(n1)C(=O)NC1CCN(CC1)C(=O)OCc1ccccc1 Show InChI InChI=1S/C23H23ClN4O5S2/c24-18-7-6-16(12-20(18)35(25,31)32)19-14-34-22(27-19)21(29)26-17-8-10-28(11-9-17)23(30)33-13-15-4-2-1-3-5-15/h1-7,12,14,17H,8-11,13H2,(H,26,29)(H2,25,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	505	n/a	n/a	n/a	n/a	n/a	n/a
Graduate School of New Drug Discovery and Development, Chungnam National University, Daejeon 305-764, Republic of Korea. Curated by ChEMBL					Assay Description Inhibition of human ATX using FS-3 as substrate measured every 5 mins for 30 mins by fluorescence assay				Bioorg Med Chem Lett 27: 4156-4164 (2017) Article DOI: 10.1016/j.bmcl.2017.07.022 BindingDB Entry DOI: 10.7270/Q24F1T6B
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50269709 (CHEMBL4065817) Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1csc(n1)C(=O)NC1CCN(CC1)C(=O)OCc1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C24H24Cl2N4O5S2/c1-37(33,34)29-20-4-2-16(3-5-20)21-14-36-23(28-21)22(31)27-19-6-8-30(9-7-19)24(32)35-13-15-10-17(25)12-18(26)11-15/h2-5,10-12,14,19,29H,6-9,13H2,1H3,(H,27,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	735	n/a	n/a	n/a	n/a	n/a	n/a
Graduate School of New Drug Discovery and Development, Chungnam National University, Daejeon 305-764, Republic of Korea. Curated by ChEMBL					Assay Description Inhibition of ATX in human plasma using LPC as substrate pretreated for 15 mins followed by substrate addition measured after 3 hrs by LC-MS/MS analy...				Bioorg Med Chem Lett 27: 4156-4164 (2017) Article DOI: 10.1016/j.bmcl.2017.07.022 BindingDB Entry DOI: 10.7270/Q24F1T6B
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50269729 (CHEMBL4075488) Show SMILES Oc1ccc(cc1O)-c1csc(NC2CCN(C2)C(=O)OCc2ccccc2)n1 Show InChI InChI=1S/C21H21N3O4S/c25-18-7-6-15(10-19(18)26)17-13-29-20(23-17)22-16-8-9-24(11-16)21(27)28-12-14-4-2-1-3-5-14/h1-7,10,13,16,25-26H,8-9,11-12H2,(H,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.23E+3	n/a	n/a	n/a	n/a	n/a	n/a
Graduate School of New Drug Discovery and Development, Chungnam National University, Daejeon 305-764, Republic of Korea. Curated by ChEMBL					Assay Description Inhibition of human ATX using FS-3 as substrate measured every 5 mins for 30 mins by fluorescence assay				Bioorg Med Chem Lett 27: 4156-4164 (2017) Article DOI: 10.1016/j.bmcl.2017.07.022 BindingDB Entry DOI: 10.7270/Q24F1T6B
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50269731 (CHEMBL4076829) Show SMILES NS(=O)(=O)c1cc(ccc1Cl)-c1csc(NC2CCN(CC2)C(=O)OCc2ccccc2)n1 Show InChI InChI=1S/C22H23ClN4O4S2/c23-18-7-6-16(12-20(18)33(24,29)30)19-14-32-21(26-19)25-17-8-10-27(11-9-17)22(28)31-13-15-4-2-1-3-5-15/h1-7,12,14,17H,8-11,13H2,(H,25,26)(H2,24,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Graduate School of New Drug Discovery and Development, Chungnam National University, Daejeon 305-764, Republic of Korea. Curated by ChEMBL					Assay Description Inhibition of human ATX using FS-3 as substrate measured every 5 mins for 30 mins by fluorescence assay				Bioorg Med Chem Lett 27: 4156-4164 (2017) Article DOI: 10.1016/j.bmcl.2017.07.022 BindingDB Entry DOI: 10.7270/Q24F1T6B
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50269723 (CHEMBL4086032) Show SMILES NS(=O)(=O)c1cc(ccc1Cl)-c1csc(NC2CCN(C2)C(=O)OCc2ccccc2)n1 Show InChI InChI=1S/C21H21ClN4O4S2/c22-17-7-6-15(10-19(17)32(23,28)29)18-13-31-20(25-18)24-16-8-9-26(11-16)21(27)30-12-14-4-2-1-3-5-14/h1-7,10,13,16H,8-9,11-12H2,(H,24,25)(H2,23,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.34E+3	n/a	n/a	n/a	n/a	n/a	n/a
Graduate School of New Drug Discovery and Development, Chungnam National University, Daejeon 305-764, Republic of Korea. Curated by ChEMBL					Assay Description Inhibition of human ATX using FS-3 as substrate measured every 5 mins for 30 mins by fluorescence assay				Bioorg Med Chem Lett 27: 4156-4164 (2017) Article DOI: 10.1016/j.bmcl.2017.07.022 BindingDB Entry DOI: 10.7270/Q24F1T6B
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50269728 (CHEMBL4062887) Show SMILES NS(=O)(=O)c1cc(ccc1Cl)-c1csc(n1)C(=O)NCc1ccc(Cl)cc1 Show InChI InChI=1S/C17H13Cl2N3O3S2/c18-12-4-1-10(2-5-12)8-21-16(23)17-22-14(9-26-17)11-3-6-13(19)15(7-11)27(20,24)25/h1-7,9H,8H2,(H,21,23)(H2,20,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.11E+3	n/a	n/a	n/a	n/a	n/a	n/a
Graduate School of New Drug Discovery and Development, Chungnam National University, Daejeon 305-764, Republic of Korea. Curated by ChEMBL					Assay Description Inhibition of human ATX using FS-3 as substrate measured every 5 mins for 30 mins by fluorescence assay				Bioorg Med Chem Lett 27: 4156-4164 (2017) Article DOI: 10.1016/j.bmcl.2017.07.022 BindingDB Entry DOI: 10.7270/Q24F1T6B
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50269718 (CHEMBL4102408) Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1csc(n1)N(Cc1ccccn1)c1ccc2nn[nH]c2c1 Show InChI InChI=1S/C22H19N7O2S2/c1-33(30,31)27-16-7-5-15(6-8-16)21-14-32-22(24-21)29(13-17-4-2-3-11-23-17)18-9-10-19-20(12-18)26-28-25-19/h2-12,14,27H,13H2,1H3,(H,25,26,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.57E+3	n/a	n/a	n/a	n/a	n/a	n/a
Graduate School of New Drug Discovery and Development, Chungnam National University, Daejeon 305-764, Republic of Korea. Curated by ChEMBL					Assay Description Inhibition of human ATX using FS-3 as substrate measured every 5 mins for 30 mins by fluorescence assay				Bioorg Med Chem Lett 27: 4156-4164 (2017) Article DOI: 10.1016/j.bmcl.2017.07.022 BindingDB Entry DOI: 10.7270/Q24F1T6B
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50269710 (CHEMBL4069980) Show SMILES NC(=O)c1cc(ccc1O)-c1csc(NC2CCN(C2)C(=O)OCc2ccccc2)n1 Show InChI InChI=1S/C22H22N4O4S/c23-20(28)17-10-15(6-7-19(17)27)18-13-31-21(25-18)24-16-8-9-26(11-16)22(29)30-12-14-4-2-1-3-5-14/h1-7,10,13,16,27H,8-9,11-12H2,(H2,23,28)(H,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.47E+3	n/a	n/a	n/a	n/a	n/a	n/a
Graduate School of New Drug Discovery and Development, Chungnam National University, Daejeon 305-764, Republic of Korea. Curated by ChEMBL					Assay Description Inhibition of human ATX using FS-3 as substrate measured every 5 mins for 30 mins by fluorescence assay				Bioorg Med Chem Lett 27: 4156-4164 (2017) Article DOI: 10.1016/j.bmcl.2017.07.022 BindingDB Entry DOI: 10.7270/Q24F1T6B
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50269722 (CHEMBL4073087) Show SMILES CN(c1nc(cs1)-c1ccc(O)c(CO)c1)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C17H17N3O4S2/c1-20(13-3-5-14(6-4-13)26(18,23)24)17-19-15(10-25-17)11-2-7-16(22)12(8-11)9-21/h2-8,10,21-22H,9H2,1H3,(H2,18,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.82E+3	n/a	n/a	n/a	n/a	n/a	n/a
Graduate School of New Drug Discovery and Development, Chungnam National University, Daejeon 305-764, Republic of Korea. Curated by ChEMBL					Assay Description Inhibition of human ATX using FS-3 as substrate measured every 5 mins for 30 mins by fluorescence assay				Bioorg Med Chem Lett 27: 4156-4164 (2017) Article DOI: 10.1016/j.bmcl.2017.07.022 BindingDB Entry DOI: 10.7270/Q24F1T6B
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50269721 (CHEMBL4093790) Show SMILES CN(c1nc(cs1)-c1ccc(O)c(c1)C(N)=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C17H16N4O4S2/c1-21(11-3-5-12(6-4-11)27(19,24)25)17-20-14(9-26-17)10-2-7-15(22)13(8-10)16(18)23/h2-9,22H,1H3,(H2,18,23)(H2,19,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.57E+3	n/a	n/a	n/a	n/a	n/a	n/a
Graduate School of New Drug Discovery and Development, Chungnam National University, Daejeon 305-764, Republic of Korea. Curated by ChEMBL					Assay Description Inhibition of human ATX using FS-3 as substrate measured every 5 mins for 30 mins by fluorescence assay				Bioorg Med Chem Lett 27: 4156-4164 (2017) Article DOI: 10.1016/j.bmcl.2017.07.022 BindingDB Entry DOI: 10.7270/Q24F1T6B
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50269712 (CHEMBL4086132) Show SMILES Oc1ccc(cc1O)-c1csc(Nc2cccc(CC(=O)NCc3ccccc3)c2)n1 Show InChI InChI=1S/C24H21N3O3S/c28-21-10-9-18(13-22(21)29)20-15-31-24(27-20)26-19-8-4-7-17(11-19)12-23(30)25-14-16-5-2-1-3-6-16/h1-11,13,15,28-29H,12,14H2,(H,25,30)(H,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.06E+3	n/a	n/a	n/a	n/a	n/a	n/a
Graduate School of New Drug Discovery and Development, Chungnam National University, Daejeon 305-764, Republic of Korea. Curated by ChEMBL					Assay Description Inhibition of human ATX using FS-3 as substrate measured every 5 mins for 30 mins by fluorescence assay				Bioorg Med Chem Lett 27: 4156-4164 (2017) Article DOI: 10.1016/j.bmcl.2017.07.022 BindingDB Entry DOI: 10.7270/Q24F1T6B
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50269711 (CHEMBL4100425) Show SMILES Oc1ccc(cc1O)-c1csc(Nc2cccc(NC(=O)OCc3ccccc3)c2)n1 Show InChI InChI=1S/C23H19N3O4S/c27-20-10-9-16(11-21(20)28)19-14-31-22(26-19)24-17-7-4-8-18(12-17)25-23(29)30-13-15-5-2-1-3-6-15/h1-12,14,27-28H,13H2,(H,24,26)(H,25,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.43E+3	n/a	n/a	n/a	n/a	n/a	n/a
Graduate School of New Drug Discovery and Development, Chungnam National University, Daejeon 305-764, Republic of Korea. Curated by ChEMBL					Assay Description Inhibition of human ATX using FS-3 as substrate measured every 5 mins for 30 mins by fluorescence assay				Bioorg Med Chem Lett 27: 4156-4164 (2017) Article DOI: 10.1016/j.bmcl.2017.07.022 BindingDB Entry DOI: 10.7270/Q24F1T6B
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50269719 (CHEMBL4101509) Show SMILES CN(c1nc(cs1)-c1ccc(O)c(c1)C(O)=O)c1ccc2NS(=O)(=O)Cc2c1 Show InChI InChI=1S/C18H15N3O5S2/c1-21(12-3-4-14-11(6-12)9-28(25,26)20-14)18-19-15(8-27-18)10-2-5-16(22)13(7-10)17(23)24/h2-8,20,22H,9H2,1H3,(H,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Graduate School of New Drug Discovery and Development, Chungnam National University, Daejeon 305-764, Republic of Korea. Curated by ChEMBL					Assay Description Inhibition of human ATX using FS-3 as substrate measured every 5 mins for 30 mins by fluorescence assay				Bioorg Med Chem Lett 27: 4156-4164 (2017) Article DOI: 10.1016/j.bmcl.2017.07.022 BindingDB Entry DOI: 10.7270/Q24F1T6B
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50269727 (CHEMBL4076609) Show SMILES NS(=O)(=O)c1cc(ccc1Cl)-c1csc(n1)C(=O)Nc1cccc(c1)C(O)=O Show InChI InChI=1S/C17H12ClN3O5S2/c18-12-5-4-9(7-14(12)28(19,25)26)13-8-27-16(21-13)15(22)20-11-3-1-2-10(6-11)17(23)24/h1-8H,(H,20,22)(H,23,24)(H2,19,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.05E+4	n/a	n/a	n/a	n/a	n/a	n/a
Graduate School of New Drug Discovery and Development, Chungnam National University, Daejeon 305-764, Republic of Korea. Curated by ChEMBL					Assay Description Inhibition of human ATX using FS-3 as substrate measured every 5 mins for 30 mins by fluorescence assay				Bioorg Med Chem Lett 27: 4156-4164 (2017) Article DOI: 10.1016/j.bmcl.2017.07.022 BindingDB Entry DOI: 10.7270/Q24F1T6B
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50269720 (CHEMBL4083508) Show SMILES CN(c1nc(cs1)-c1ccc(O)c(c1)C(O)=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C17H15N3O5S2/c1-20(11-3-5-12(6-4-11)27(18,24)25)17-19-14(9-26-17)10-2-7-15(21)13(8-10)16(22)23/h2-9,21H,1H3,(H,22,23)(H2,18,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.06E+4	n/a	n/a	n/a	n/a	n/a	n/a
Graduate School of New Drug Discovery and Development, Chungnam National University, Daejeon 305-764, Republic of Korea. Curated by ChEMBL					Assay Description Inhibition of human ATX using FS-3 as substrate measured every 5 mins for 30 mins by fluorescence assay				Bioorg Med Chem Lett 27: 4156-4164 (2017) Article DOI: 10.1016/j.bmcl.2017.07.022 BindingDB Entry DOI: 10.7270/Q24F1T6B
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50269715 (CHEMBL4091684) Show SMILES OC(=O)c1cc(ccc1O)-c1csc(NC2CCN(C2)C(=O)OCc2ccccc2)n1 Show InChI InChI=1S/C22H21N3O5S/c26-19-7-6-15(10-17(19)20(27)28)18-13-31-21(24-18)23-16-8-9-25(11-16)22(29)30-12-14-4-2-1-3-5-14/h1-7,10,13,16,26H,8-9,11-12H2,(H,23,24)(H,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.09E+4	n/a	n/a	n/a	n/a	n/a	n/a
Graduate School of New Drug Discovery and Development, Chungnam National University, Daejeon 305-764, Republic of Korea. Curated by ChEMBL					Assay Description Inhibition of human ATX using FS-3 as substrate measured every 5 mins for 30 mins by fluorescence assay				Bioorg Med Chem Lett 27: 4156-4164 (2017) Article DOI: 10.1016/j.bmcl.2017.07.022 BindingDB Entry DOI: 10.7270/Q24F1T6B
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50269713 (CHEMBL4105540) Show SMILES Oc1ccc(cc1O)-c1csc(Nc2cccc(CS(=O)(=O)NCc3ccccc3)c2)n1 Show InChI InChI=1S/C23H21N3O4S2/c27-21-10-9-18(12-22(21)28)20-14-31-23(26-20)25-19-8-4-7-17(11-19)15-32(29,30)24-13-16-5-2-1-3-6-16/h1-12,14,24,27-28H,13,15H2,(H,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.16E+4	n/a	n/a	n/a	n/a	n/a	n/a
Graduate School of New Drug Discovery and Development, Chungnam National University, Daejeon 305-764, Republic of Korea. Curated by ChEMBL					Assay Description Inhibition of human ATX using FS-3 as substrate measured every 5 mins for 30 mins by fluorescence assay				Bioorg Med Chem Lett 27: 4156-4164 (2017) Article DOI: 10.1016/j.bmcl.2017.07.022 BindingDB Entry DOI: 10.7270/Q24F1T6B
					More data for this Ligand-Target Pair