Compile Data Set for Download or QSAR

Found 38 hits with Last Name = 'kokotou' and Initial = 'mg'   

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
85/88 kDa calcium-independent phospholipase A2 (Homo sapiens (Human))	BDBM50526358 (CHEMBL4476476) Show SMILES CCC[C@H]1OC(=O)[C@@H]1CCCCc1ccccc1 |r| Show InChI InChI=1S/C16H22O2/c1-2-8-15-14(16(17)18-15)12-7-6-11-13-9-4-3-5-10-13/h3-5,9-10,14-15H,2,6-8,11-12H2,1H3/t14-,15-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
National and Kapodistrian University of Athens Curated by ChEMBL					Assay Description Inhibition of human recombinant G6A iPLA2 using arachidonyl-1-14C PAPC and PAPC incubated for 30 mins by HPLC-MS analysis based radioactivity-based g...				J Med Chem 62: 2916-2927 (2019) Article DOI: 10.1021/acs.jmedchem.8b01216 BindingDB Entry DOI: 10.7270/Q2N301DB
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Mus musculus)	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 MMDB KEGG UniProtKB/SwissProt B.MOAD 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
National and Kapodistrian University of Athens Curated by ChEMBL					Assay Description Inhibition of recombinant mouse ATX expressed in HEK293 cells using LPC 17:0 as substrate after 30 mins by LC-MS/MS method				J Med Chem 61: 3697-3711 (2018) Article DOI: 10.1021/acs.jmedchem.8b00232 BindingDB Entry DOI: 10.7270/Q2Q52S3G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Mus musculus)	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 MMDB KEGG UniProtKB/SwissProt B.MOAD 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
National and Kapodistrian University of Athens Curated by ChEMBL					Assay Description Inhibition of recombinant mouse ATX expressed in HEK293 cells using FS3 as substrate preincubated for 15 mins followed by substrate addition measured...				J Med Chem 61: 3697-3711 (2018) Article DOI: 10.1021/acs.jmedchem.8b00232 BindingDB Entry DOI: 10.7270/Q2Q52S3G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Mus musculus)	BDBM50264197 (CHEMBL4094633) Show SMILES COC(=O)[C@H](CCCC(=O)NO)NC(=O)CCCCC(=O)Nc1ccccc1 |r| Show InChI InChI=1S/C19H27N3O6/c1-28-19(26)15(10-7-13-18(25)22-27)21-17(24)12-6-5-11-16(23)20-14-8-3-2-4-9-14/h2-4,8-9,15,27H,5-7,10-13H2,1H3,(H,20,23)(H,21,24)(H,22,25)/t15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
National and Kapodistrian University of Athens Curated by ChEMBL					Assay Description Inhibition of mouse ATX-beta using LPC 16:0 as substrate by Amplex Red PLD assay				J Med Chem 61: 3697-3711 (2018) Article DOI: 10.1021/acs.jmedchem.8b00232 BindingDB Entry DOI: 10.7270/Q2Q52S3G
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Mus musculus)	BDBM50264199 (CHEMBL4086925) Show SMILES CCCC[C@@H](CCCC(=O)NO)NC(=O)CCCCC(=O)Nc1ccccc1 |r| Show InChI InChI=1S/C21H33N3O4/c1-2-3-10-17(13-9-16-21(27)24-28)22-19(25)14-7-8-15-20(26)23-18-11-5-4-6-12-18/h4-6,11-12,17,28H,2-3,7-10,13-16H2,1H3,(H,22,25)(H,23,26)(H,24,27)/t17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
National and Kapodistrian University of Athens Curated by ChEMBL					Assay Description Inhibition of mouse ATX-beta using LPC 16:0 as substrate by Amplex Red PLD assay				J Med Chem 61: 3697-3711 (2018) Article DOI: 10.1021/acs.jmedchem.8b00232 BindingDB Entry DOI: 10.7270/Q2Q52S3G
					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	101	n/a	n/a	n/a	n/a	n/a	n/a
National and Kapodistrian University of Athens Curated by ChEMBL					Assay Description Inhibition of ATX in human whole blood assessed as decrease in LPA levels after 2 hrs by LC-MS/MS method				J Med Chem 61: 3697-3711 (2018) Article DOI: 10.1021/acs.jmedchem.8b00232 BindingDB Entry DOI: 10.7270/Q2Q52S3G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Mus musculus)	BDBM50264200 (CHEMBL4094307) Show SMILES CCCCCCCCCCCCCC(=O)Nc1ccc(CC(=O)NO)cc1 Show InChI InChI=1S/C22H36N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-21(25)23-20-16-14-19(15-17-20)18-22(26)24-27/h14-17,27H,2-13,18H2,1H3,(H,23,25)(H,24,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
National and Kapodistrian University of Athens Curated by ChEMBL					Assay Description Inhibition of mouse ATX-beta using LPC 18:0 as substrate by Amplex Red PLD assay				J Med Chem 61: 3697-3711 (2018) Article DOI: 10.1021/acs.jmedchem.8b00232 BindingDB Entry DOI: 10.7270/Q2Q52S3G
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Mus musculus)	BDBM50264201 (CHEMBL4083130) Show SMILES ONC(=O)Cc1ccc(NC(=O)CCCCNC(=O)c2ccccc2)cc1 Show InChI InChI=1S/C20H23N3O4/c24-18(22-17-11-9-15(10-12-17)14-19(25)23-27)8-4-5-13-21-20(26)16-6-2-1-3-7-16/h1-3,6-7,9-12,27H,4-5,8,13-14H2,(H,21,26)(H,22,24)(H,23,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
National and Kapodistrian University of Athens Curated by ChEMBL					Assay Description Inhibition of mouse ATX-beta using LPC 18:0 as substrate by Amplex Red PLD assay				J Med Chem 61: 3697-3711 (2018) Article DOI: 10.1021/acs.jmedchem.8b00232 BindingDB Entry DOI: 10.7270/Q2Q52S3G
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Mus musculus)	BDBM50264228 (CHEMBL4086545) Show SMILES ONC(=O)Cc1ccc(NC(=O)CCCCC(=O)Nc2ccccc2)cc1 Show InChI InChI=1S/C20H23N3O4/c24-18(21-16-6-2-1-3-7-16)8-4-5-9-19(25)22-17-12-10-15(11-13-17)14-20(26)23-27/h1-3,6-7,10-13,27H,4-5,8-9,14H2,(H,21,24)(H,22,25)(H,23,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
National and Kapodistrian University of Athens Curated by ChEMBL					Assay Description Inhibition of mouse ATX-beta using LPC 18:0 as substrate by Amplex Red PLD assay				J Med Chem 61: 3697-3711 (2018) Article DOI: 10.1021/acs.jmedchem.8b00232 BindingDB Entry DOI: 10.7270/Q2Q52S3G
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Mus musculus)	BDBM50264243 (CHEMBL4078700) Show SMILES CCCCCCCCc1ccc(OCC(=O)Nc2ccc(CC(=O)NO)cc2)cc1 Show InChI InChI=1S/C24H32N2O4/c1-2-3-4-5-6-7-8-19-11-15-22(16-12-19)30-18-24(28)25-21-13-9-20(10-14-21)17-23(27)26-29/h9-16,29H,2-8,17-18H2,1H3,(H,25,28)(H,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
National and Kapodistrian University of Athens Curated by ChEMBL					Assay Description Inhibition of mouse ATX-beta using LPC 18:0 as substrate by Amplex Red PLD assay				J Med Chem 61: 3697-3711 (2018) Article DOI: 10.1021/acs.jmedchem.8b00232 BindingDB Entry DOI: 10.7270/Q2Q52S3G
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Mus musculus)	BDBM50264245 (CHEMBL4103745) Show SMILES COC(=O)[C@H](CCC(=O)NO)NC(=O)CCCCC(=O)Nc1ccccc1 |r| Show InChI InChI=1S/C18H25N3O6/c1-27-18(25)14(11-12-17(24)21-26)20-16(23)10-6-5-9-15(22)19-13-7-3-2-4-8-13/h2-4,7-8,14,26H,5-6,9-12H2,1H3,(H,19,22)(H,20,23)(H,21,24)/t14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
National and Kapodistrian University of Athens Curated by ChEMBL					Assay Description Inhibition of mouse ATX-beta using LPC 16:0 as substrate by Amplex Red PLD assay				J Med Chem 61: 3697-3711 (2018) Article DOI: 10.1021/acs.jmedchem.8b00232 BindingDB Entry DOI: 10.7270/Q2Q52S3G
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Mus musculus)	BDBM50264203 (CHEMBL4084867) Show SMILES FC(F)(F)C(F)(F)C(=O)Cc1ccc(NC(=O)CCCCC(=O)Nc2ccccc2)cc1 Show InChI InChI=1S/C22H21F5N2O3/c23-21(24,22(25,26)27)18(30)14-15-10-12-17(13-11-15)29-20(32)9-5-4-8-19(31)28-16-6-2-1-3-7-16/h1-3,6-7,10-13H,4-5,8-9,14H2,(H,28,31)(H,29,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
National and Kapodistrian University of Athens Curated by ChEMBL					Assay Description Inhibition of mouse ATX-beta using LPC 18:0 as substrate by Amplex Red PLD assay				J Med Chem 61: 3697-3711 (2018) Article DOI: 10.1021/acs.jmedchem.8b00232 BindingDB Entry DOI: 10.7270/Q2Q52S3G
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Mus musculus)	BDBM50264239 (CHEMBL4079494) Show SMILES OB(O)c1ccc(NC(=O)CCCCC(=O)Nc2ccccc2)cc1 Show InChI InChI=1S/C18H21BN2O4/c22-17(20-15-6-2-1-3-7-15)8-4-5-9-18(23)21-16-12-10-14(11-13-16)19(24)25/h1-3,6-7,10-13,24-25H,4-5,8-9H2,(H,20,22)(H,21,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
National and Kapodistrian University of Athens Curated by ChEMBL					Assay Description Inhibition of mouse ATX-beta using LPC 16:0 as substrate by Amplex Red PLD assay				J Med Chem 61: 3697-3711 (2018) Article DOI: 10.1021/acs.jmedchem.8b00232 BindingDB Entry DOI: 10.7270/Q2Q52S3G
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Mus musculus)	BDBM50264202 (CHEMBL4074600) Show SMILES ONC(=O)Cc1ccc(NC(=O)CCCCCCc2ccccc2)cc1 Show InChI InChI=1S/C21H26N2O3/c24-20(11-7-2-1-4-8-17-9-5-3-6-10-17)22-19-14-12-18(13-15-19)16-21(25)23-26/h3,5-6,9-10,12-15,26H,1-2,4,7-8,11,16H2,(H,22,24)(H,23,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
National and Kapodistrian University of Athens Curated by ChEMBL					Assay Description Inhibition of mouse ATX-beta using LPC 16:0 as substrate by Amplex Red PLD assay				J Med Chem 61: 3697-3711 (2018) Article DOI: 10.1021/acs.jmedchem.8b00232 BindingDB Entry DOI: 10.7270/Q2Q52S3G
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Mus musculus)	BDBM50264230 (CHEMBL4095062) Show SMILES COc1ccc(cc1)C(=O)NCCCCC(=O)Nc1ccc(CC(=O)NO)cc1 Show InChI InChI=1S/C21H25N3O5/c1-29-18-11-7-16(8-12-18)21(27)22-13-3-2-4-19(25)23-17-9-5-15(6-10-17)14-20(26)24-28/h5-12,28H,2-4,13-14H2,1H3,(H,22,27)(H,23,25)(H,24,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
National and Kapodistrian University of Athens Curated by ChEMBL					Assay Description Inhibition of mouse ATX-beta using LPC 16:0 as substrate by Amplex Red PLD assay				J Med Chem 61: 3697-3711 (2018) Article DOI: 10.1021/acs.jmedchem.8b00232 BindingDB Entry DOI: 10.7270/Q2Q52S3G
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Mus musculus)	BDBM50264200 (CHEMBL4094307) Show SMILES CCCCCCCCCCCCCC(=O)Nc1ccc(CC(=O)NO)cc1 Show InChI InChI=1S/C22H36N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-21(25)23-20-16-14-19(15-17-20)18-22(26)24-27/h14-17,27H,2-13,18H2,1H3,(H,23,25)(H,24,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
National and Kapodistrian University of Athens Curated by ChEMBL					Assay Description Inhibition of mouse ATX-beta using LPC 16:0 as substrate by Amplex Red PLD assay				J Med Chem 61: 3697-3711 (2018) Article DOI: 10.1021/acs.jmedchem.8b00232 BindingDB Entry DOI: 10.7270/Q2Q52S3G
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Mus musculus)	BDBM50264201 (CHEMBL4083130) Show SMILES ONC(=O)Cc1ccc(NC(=O)CCCCNC(=O)c2ccccc2)cc1 Show InChI InChI=1S/C20H23N3O4/c24-18(22-17-11-9-15(10-12-17)14-19(25)23-27)8-4-5-13-21-20(26)16-6-2-1-3-7-16/h1-3,6-7,9-12,27H,4-5,8,13-14H2,(H,21,26)(H,22,24)(H,23,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
National and Kapodistrian University of Athens Curated by ChEMBL					Assay Description Inhibition of mouse ATX-beta using LPC 16:0 as substrate by Amplex Red PLD assay				J Med Chem 61: 3697-3711 (2018) Article DOI: 10.1021/acs.jmedchem.8b00232 BindingDB Entry DOI: 10.7270/Q2Q52S3G
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Mus musculus)	BDBM50264243 (CHEMBL4078700) Show SMILES CCCCCCCCc1ccc(OCC(=O)Nc2ccc(CC(=O)NO)cc2)cc1 Show InChI InChI=1S/C24H32N2O4/c1-2-3-4-5-6-7-8-19-11-15-22(16-12-19)30-18-24(28)25-21-13-9-20(10-14-21)17-23(27)26-29/h9-16,29H,2-8,17-18H2,1H3,(H,25,28)(H,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
National and Kapodistrian University of Athens Curated by ChEMBL					Assay Description Inhibition of mouse ATX-beta using LPC 16:0 as substrate by Amplex Red PLD assay				J Med Chem 61: 3697-3711 (2018) Article DOI: 10.1021/acs.jmedchem.8b00232 BindingDB Entry DOI: 10.7270/Q2Q52S3G
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Mus musculus)	BDBM50264228 (CHEMBL4086545) Show SMILES ONC(=O)Cc1ccc(NC(=O)CCCCC(=O)Nc2ccccc2)cc1 Show InChI InChI=1S/C20H23N3O4/c24-18(21-16-6-2-1-3-7-16)8-4-5-9-19(25)22-17-12-10-15(11-13-17)14-20(26)23-27/h1-3,6-7,10-13,27H,4-5,8-9,14H2,(H,21,24)(H,22,25)(H,23,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
National and Kapodistrian University of Athens Curated by ChEMBL					Assay Description Inhibition of mouse ATX-beta using LPC 16:0 as substrate by Amplex Red PLD assay				J Med Chem 61: 3697-3711 (2018) Article DOI: 10.1021/acs.jmedchem.8b00232 BindingDB Entry DOI: 10.7270/Q2Q52S3G
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Mus musculus)	BDBM50264202 (CHEMBL4074600) Show SMILES ONC(=O)Cc1ccc(NC(=O)CCCCCCc2ccccc2)cc1 Show InChI InChI=1S/C21H26N2O3/c24-20(11-7-2-1-4-8-17-9-5-3-6-10-17)22-19-14-12-18(13-15-19)16-21(25)23-26/h3,5-6,9-10,12-15,26H,1-2,4,7-8,11,16H2,(H,22,24)(H,23,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
National and Kapodistrian University of Athens Curated by ChEMBL					Assay Description Inhibition of mouse ATX-beta using LPC 18:0 as substrate by Amplex Red PLD assay				J Med Chem 61: 3697-3711 (2018) Article DOI: 10.1021/acs.jmedchem.8b00232 BindingDB Entry DOI: 10.7270/Q2Q52S3G
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Mus musculus)	BDBM50264244 (CHEMBL4104444) Show SMILES ONC(=O)Cc1ccc(NC(=O)CCCCCCC(=O)Nc2ccccc2)cc1 Show InChI InChI=1S/C22H27N3O4/c26-20(23-18-8-4-3-5-9-18)10-6-1-2-7-11-21(27)24-19-14-12-17(13-15-19)16-22(28)25-29/h3-5,8-9,12-15,29H,1-2,6-7,10-11,16H2,(H,23,26)(H,24,27)(H,25,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
National and Kapodistrian University of Athens Curated by ChEMBL					Assay Description Inhibition of mouse ATX-beta using LPC 16:0 as substrate by Amplex Red PLD assay				J Med Chem 61: 3697-3711 (2018) Article DOI: 10.1021/acs.jmedchem.8b00232 BindingDB Entry DOI: 10.7270/Q2Q52S3G
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Mus musculus)	BDBM50264203 (CHEMBL4084867) Show SMILES FC(F)(F)C(F)(F)C(=O)Cc1ccc(NC(=O)CCCCC(=O)Nc2ccccc2)cc1 Show InChI InChI=1S/C22H21F5N2O3/c23-21(24,22(25,26)27)18(30)14-15-10-12-17(13-11-15)29-20(32)9-5-4-8-19(31)28-16-6-2-1-3-7-16/h1-3,6-7,10-13H,4-5,8-9,14H2,(H,28,31)(H,29,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
National and Kapodistrian University of Athens Curated by ChEMBL					Assay Description Inhibition of mouse ATX-beta using LPC 16:0 as substrate by Amplex Red PLD assay				J Med Chem 61: 3697-3711 (2018) Article DOI: 10.1021/acs.jmedchem.8b00232 BindingDB Entry DOI: 10.7270/Q2Q52S3G
					More data for this Ligand-Target Pair
85/88 kDa calcium-independent phospholipase A2 (Homo sapiens (Human))	BDBM50526357 (CHEMBL4439384) Show SMILES CCC[C@@H]1OC(=O)[C@@H]1CCCCc1ccccc1 |r| Show InChI InChI=1S/C16H22O2/c1-2-8-15-14(16(17)18-15)12-7-6-11-13-9-4-3-5-10-13/h3-5,9-10,14-15H,2,6-8,11-12H2,1H3/t14-,15+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
National and Kapodistrian University of Athens Curated by ChEMBL					Assay Description Inhibition of human recombinant G6A iPLA2 using arachidonyl-1-14C PAPC and PAPC incubated for 30 mins by HPLC-MS analysis based radioactivity-based g...				J Med Chem 62: 2916-2927 (2019) Article DOI: 10.1021/acs.jmedchem.8b01216 BindingDB Entry DOI: 10.7270/Q2N301DB
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Mus musculus)	BDBM50264239 (CHEMBL4079494) Show SMILES OB(O)c1ccc(NC(=O)CCCCC(=O)Nc2ccccc2)cc1 Show InChI InChI=1S/C18H21BN2O4/c22-17(20-15-6-2-1-3-7-15)8-4-5-9-18(23)21-16-12-10-14(11-13-16)19(24)25/h1-3,6-7,10-13,24-25H,4-5,8-9H2,(H,20,22)(H,21,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
National and Kapodistrian University of Athens Curated by ChEMBL					Assay Description Inhibition of mouse ATX-beta using LPC 18:0 as substrate by Amplex Red PLD assay				J Med Chem 61: 3697-3711 (2018) Article DOI: 10.1021/acs.jmedchem.8b00232 BindingDB Entry DOI: 10.7270/Q2Q52S3G
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Mus musculus)	BDBM50264227 (CHEMBL4096724) Show SMILES CCCCOc1ccc(CCCCC(=O)Nc2ccc(CC(=O)NO)cc2)cc1 Show InChI InChI=1S/C23H30N2O4/c1-2-3-16-29-21-14-10-18(11-15-21)6-4-5-7-22(26)24-20-12-8-19(9-13-20)17-23(27)25-28/h8-15,28H,2-7,16-17H2,1H3,(H,24,26)(H,25,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
National and Kapodistrian University of Athens Curated by ChEMBL					Assay Description Inhibition of mouse ATX-beta using LPC 16:0 as substrate by Amplex Red PLD assay				J Med Chem 61: 3697-3711 (2018) Article DOI: 10.1021/acs.jmedchem.8b00232 BindingDB Entry DOI: 10.7270/Q2Q52S3G
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Mus musculus)	BDBM50264242 (CHEMBL4062177) Show SMILES COC(=O)[C@H](CCC(=O)NO)NC(=O)CCCCC(=O)Nc1ccc(OC)cc1 |r| Show InChI InChI=1S/C19H27N3O7/c1-28-14-9-7-13(8-10-14)20-16(23)5-3-4-6-17(24)21-15(19(26)29-2)11-12-18(25)22-27/h7-10,15,27H,3-6,11-12H2,1-2H3,(H,20,23)(H,21,24)(H,22,25)/t15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
National and Kapodistrian University of Athens Curated by ChEMBL					Assay Description Inhibition of mouse ATX-beta using LPC 16:0 as substrate by Amplex Red PLD assay				J Med Chem 61: 3697-3711 (2018) Article DOI: 10.1021/acs.jmedchem.8b00232 BindingDB Entry DOI: 10.7270/Q2Q52S3G
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Mus musculus)	BDBM50264226 (CHEMBL4077775) Show SMILES ONC(=O)Cc1ccc(NC(=O)CCCCc2ccc(cc2)-c2ccccc2)cc1 Show InChI InChI=1S/C25H26N2O3/c28-24(26-23-16-12-20(13-17-23)18-25(29)27-30)9-5-4-6-19-10-14-22(15-11-19)21-7-2-1-3-8-21/h1-3,7-8,10-17,30H,4-6,9,18H2,(H,26,28)(H,27,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
National and Kapodistrian University of Athens Curated by ChEMBL					Assay Description Inhibition of mouse ATX-beta using LPC 16:0 as substrate by Amplex Red PLD assay				J Med Chem 61: 3697-3711 (2018) Article DOI: 10.1021/acs.jmedchem.8b00232 BindingDB Entry DOI: 10.7270/Q2Q52S3G
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Mus musculus)	BDBM50264224 (CHEMBL4066792) Show SMILES CCCCCCCCc1ccc(cc1)C(=O)Nc1ccc(CC(=O)NO)cc1 Show InChI InChI=1S/C23H30N2O3/c1-2-3-4-5-6-7-8-18-9-13-20(14-10-18)23(27)24-21-15-11-19(12-16-21)17-22(26)25-28/h9-16,28H,2-8,17H2,1H3,(H,24,27)(H,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
National and Kapodistrian University of Athens Curated by ChEMBL					Assay Description Inhibition of mouse ATX-beta using LPC 16:0 as substrate by Amplex Red PLD assay				J Med Chem 61: 3697-3711 (2018) Article DOI: 10.1021/acs.jmedchem.8b00232 BindingDB Entry DOI: 10.7270/Q2Q52S3G
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Mus musculus)	BDBM50264246 (CHEMBL4083902) Show SMILES COC(=O)[C@H](CCC(=O)NO)NC(=O)CCCCC(=O)Nc1ccc(F)cc1 |r| Show InChI InChI=1S/C18H24FN3O6/c1-28-18(26)14(10-11-17(25)22-27)21-16(24)5-3-2-4-15(23)20-13-8-6-12(19)7-9-13/h6-9,14,27H,2-5,10-11H2,1H3,(H,20,23)(H,21,24)(H,22,25)/t14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
National and Kapodistrian University of Athens Curated by ChEMBL					Assay Description Inhibition of mouse ATX-beta using LPC 16:0 as substrate by Amplex Red PLD assay				J Med Chem 61: 3697-3711 (2018) Article DOI: 10.1021/acs.jmedchem.8b00232 BindingDB Entry DOI: 10.7270/Q2Q52S3G
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Mus musculus)	BDBM50264204 (CHEMBL4068587) Show SMILES CCCCCCCCCC(=O)Nc1ccc(CC(=O)NO)cc1 Show InChI InChI=1S/C18H28N2O3/c1-2-3-4-5-6-7-8-9-17(21)19-16-12-10-15(11-13-16)14-18(22)20-23/h10-13,23H,2-9,14H2,1H3,(H,19,21)(H,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
National and Kapodistrian University of Athens Curated by ChEMBL					Assay Description Inhibition of mouse ATX-beta using LPC 16:0 as substrate by Amplex Red PLD assay				J Med Chem 61: 3697-3711 (2018) Article DOI: 10.1021/acs.jmedchem.8b00232 BindingDB Entry DOI: 10.7270/Q2Q52S3G
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Mus musculus)	BDBM50264198 (CHEMBL4075039) Show SMILES COC(=O)[C@H](CCCC(=O)NO)NC(=O)CCCCCCc1ccccc1 |r| Show InChI InChI=1S/C20H30N2O5/c1-27-20(25)17(13-9-15-19(24)22-26)21-18(23)14-8-3-2-5-10-16-11-6-4-7-12-16/h4,6-7,11-12,17,26H,2-3,5,8-10,13-15H2,1H3,(H,21,23)(H,22,24)/t17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
National and Kapodistrian University of Athens Curated by ChEMBL					Assay Description Inhibition of mouse ATX-beta using LPC 16:0 as substrate by Amplex Red PLD assay				J Med Chem 61: 3697-3711 (2018) Article DOI: 10.1021/acs.jmedchem.8b00232 BindingDB Entry DOI: 10.7270/Q2Q52S3G
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Mus musculus)	BDBM50264229 (CHEMBL4101117) Show SMILES ONC(=O)Cc1ccc(NC(=O)CCCCNC(=O)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C20H22FN3O4/c21-16-8-6-15(7-9-16)20(27)22-12-2-1-3-18(25)23-17-10-4-14(5-11-17)13-19(26)24-28/h4-11,28H,1-3,12-13H2,(H,22,27)(H,23,25)(H,24,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
National and Kapodistrian University of Athens Curated by ChEMBL					Assay Description Inhibition of mouse ATX-beta using LPC 16:0 as substrate by Amplex Red PLD assay				J Med Chem 61: 3697-3711 (2018) Article DOI: 10.1021/acs.jmedchem.8b00232 BindingDB Entry DOI: 10.7270/Q2Q52S3G
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Mus musculus)	BDBM50264241 (CHEMBL4065969) Show SMILES COC(=O)[C@H](CCC(=O)NO)NC(=O)CCCCNC(=O)c1ccccc1 |r| Show InChI InChI=1S/C18H25N3O6/c1-27-18(25)14(10-11-16(23)21-26)20-15(22)9-5-6-12-19-17(24)13-7-3-2-4-8-13/h2-4,7-8,14,26H,5-6,9-12H2,1H3,(H,19,24)(H,20,22)(H,21,23)/t14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
National and Kapodistrian University of Athens Curated by ChEMBL					Assay Description Inhibition of mouse ATX-beta using LPC 16:0 as substrate by Amplex Red PLD assay				J Med Chem 61: 3697-3711 (2018) Article DOI: 10.1021/acs.jmedchem.8b00232 BindingDB Entry DOI: 10.7270/Q2Q52S3G
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Mus musculus)	BDBM50264235 (CHEMBL4102821) Show SMILES OC(=O)Cc1ccc(NC(=O)CCCCC(=O)Nc2ccccc2)cc1 Show InChI InChI=1S/C20H22N2O4/c23-18(21-16-6-2-1-3-7-16)8-4-5-9-19(24)22-17-12-10-15(11-13-17)14-20(25)26/h1-3,6-7,10-13H,4-5,8-9,14H2,(H,21,23)(H,22,24)(H,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
National and Kapodistrian University of Athens Curated by ChEMBL					Assay Description Inhibition of mouse ATX-beta using LPC 16:0 as substrate by Amplex Red PLD assay				J Med Chem 61: 3697-3711 (2018) Article DOI: 10.1021/acs.jmedchem.8b00232 BindingDB Entry DOI: 10.7270/Q2Q52S3G
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Mus musculus)	BDBM50264225 (CHEMBL4102039) Show SMILES CCCCCCCCc1ccc(CCC(=O)Nc2ccc(CC(=O)NO)cc2)cc1 Show InChI InChI=1S/C25H34N2O3/c1-2-3-4-5-6-7-8-20-9-11-21(12-10-20)15-18-24(28)26-23-16-13-22(14-17-23)19-25(29)27-30/h9-14,16-17,30H,2-8,15,18-19H2,1H3,(H,26,28)(H,27,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
National and Kapodistrian University of Athens Curated by ChEMBL					Assay Description Inhibition of mouse ATX-beta using LPC 16:0 as substrate by Amplex Red PLD assay				J Med Chem 61: 3697-3711 (2018) Article DOI: 10.1021/acs.jmedchem.8b00232 BindingDB Entry DOI: 10.7270/Q2Q52S3G
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Mus musculus)	BDBM50264240 (CHEMBL4087374) Show SMILES ONC(=O)CC[C@H](NC(=O)CCCCC(=O)Nc1ccccc1)C(=O)NO |r| Show InChI InChI=1S/C17H24N4O6/c22-14(18-12-6-2-1-3-7-12)8-4-5-9-15(23)19-13(17(25)21-27)10-11-16(24)20-26/h1-3,6-7,13,26-27H,4-5,8-11H2,(H,18,22)(H,19,23)(H,20,24)(H,21,25)/t13-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
National and Kapodistrian University of Athens Curated by ChEMBL					Assay Description Inhibition of mouse ATX-beta using LPC 16:0 as substrate by Amplex Red PLD assay				J Med Chem 61: 3697-3711 (2018) Article DOI: 10.1021/acs.jmedchem.8b00232 BindingDB Entry DOI: 10.7270/Q2Q52S3G
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Mus musculus)	BDBM50264196 (CHEMBL4074111) Show SMILES CCOc1ccc(NC(=O)CCCCC(=O)N[C@@H](CCC(=O)NO)C(=O)OC)cc1 |r| Show InChI InChI=1S/C20H29N3O7/c1-3-30-15-10-8-14(9-11-15)21-17(24)6-4-5-7-18(25)22-16(20(27)29-2)12-13-19(26)23-28/h8-11,16,28H,3-7,12-13H2,1-2H3,(H,21,24)(H,22,25)(H,23,26)/t16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
National and Kapodistrian University of Athens Curated by ChEMBL					Assay Description Inhibition of mouse ATX-beta using LPC 16:0 as substrate by Amplex Red PLD assay				J Med Chem 61: 3697-3711 (2018) Article DOI: 10.1021/acs.jmedchem.8b00232 BindingDB Entry DOI: 10.7270/Q2Q52S3G
					More data for this Ligand-Target Pair
Cytosolic phospholipase A2 (Homo sapiens (Human))	BDBM50526358 (CHEMBL4476476) Show SMILES CCC[C@H]1OC(=O)[C@@H]1CCCCc1ccccc1 |r| Show InChI InChI=1S/C16H22O2/c1-2-8-15-14(16(17)18-15)12-7-6-11-13-9-4-3-5-10-13/h3-5,9-10,14-15H,2,6-8,11-12H2,1H3/t14-,15-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
National and Kapodistrian University of Athens Curated by ChEMBL					Assay Description Inhibition of human recombinant G4A cPLA2 using arachidonyl-1-14C PAPC , PAPC and PIP2 incubated for 30 mins by HPLC-MS analysis based radioactivity-...				J Med Chem 62: 2916-2927 (2019) Article DOI: 10.1021/acs.jmedchem.8b01216 BindingDB Entry DOI: 10.7270/Q2N301DB
					More data for this Ligand-Target Pair