Compile Data Set for Download or QSAR

Found 35 hits with Last Name = 'best' and Initial = 'md'   

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))	BDBM50148348 ((R)-Octadec-9-enoic acid 2-hydroxy-3-phosphonooxy-...) Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@@H](O)COP(O)(O)=O Show InChI InChI=1S/C21H41O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28-29(24,25)26/h9-10,20,22H,2-8,11-19H2,1H3,(H2,24,25,26)/b10-9-/t20-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Memphis Curated by ChEMBL					Assay Description Noncompetitive type inhibition of human autotaxin at free state isolated from MDA-MB-231 cells assessed as blockade of FS3 substrate hydrolysis by FR...				J Med Chem 53: 1056-66 (2010) Article DOI: 10.1021/jm9012328 BindingDB Entry DOI: 10.7270/Q2BP02VN
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50300224 (4-amino-4-(hydroxymethyl)-6-(4-octylphenyl)hexylph...) Show SMILES CCCCCCCCc1ccc(CCC(N)(CO)CCCP(O)(O)=O)cc1 Show InChI InChI=1S/C21H38NO4P/c1-2-3-4-5-6-7-9-19-10-12-20(13-11-19)14-16-21(22,18-23)15-8-17-27(24,25)26/h10-13,23H,2-9,14-18,22H2,1H3,(H2,24,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Memphis Curated by ChEMBL					Assay Description Noncompetitive type inhibition of human autotaxin at free state isolated from MDA-MB-231 cells assessed as blockade of FS3 substrate hydrolysis by FR...				J Med Chem 53: 1056-66 (2010) Article DOI: 10.1021/jm9012328 BindingDB Entry DOI: 10.7270/Q2BP02VN
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50300212 (2-(4-{[(3-Trifluoromethylphenyl)amino]carbonothioy...) Show SMILES CCn1cc(C(O)=O)c(=O)c2cnc(nc12)N1CCN(CC1)C(=S)Nc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C22H21F3N6O3S/c1-2-29-12-16(19(33)34)17(32)15-11-26-20(28-18(15)29)30-6-8-31(9-7-30)21(35)27-14-5-3-4-13(10-14)22(23,24)25/h3-5,10-12H,2,6-9H2,1H3,(H,27,35)(H,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Memphis Curated by ChEMBL					Assay Description Competitive inhibition of human autotaxin at free state isolated from MDA-MB-231 cells assessed as blockade of FS3 substrate hydrolysis by FRET assay				J Med Chem 53: 1056-66 (2010) Article DOI: 10.1021/jm9012328 BindingDB Entry DOI: 10.7270/Q2BP02VN
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50300214 (2-(4-((3,5-dichlorophenyl)carbamothioyl)piperazin-...) Show SMILES CCn1cc(C(O)=O)c(=O)c2cnc(nc12)N1CCN(CC1)C(=S)Nc1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C21H20Cl2N6O3S/c1-2-27-11-16(19(31)32)17(30)15-10-24-20(26-18(15)27)28-3-5-29(6-4-28)21(33)25-14-8-12(22)7-13(23)9-14/h7-11H,2-6H2,1H3,(H,25,33)(H,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Memphis Curated by ChEMBL					Assay Description Competitive inhibition of human autotaxin at free state isolated from MDA-MB-231 cells assessed as blockade of FS3 substrate hydrolysis by FRET assay				J Med Chem 53: 1056-66 (2010) Article DOI: 10.1021/jm9012328 BindingDB Entry DOI: 10.7270/Q2BP02VN
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50300210 (2-(4-{[(3-Chlorophenyl)amino]carbonothioyl}-1-pipe...) Show SMILES CCn1cc(C(O)=O)c(=O)c2cnc(nc12)N1CCN(CC1)C(=S)Nc1cccc(Cl)c1 Show InChI InChI=1S/C21H21ClN6O3S/c1-2-26-12-16(19(30)31)17(29)15-11-23-20(25-18(15)26)27-6-8-28(9-7-27)21(32)24-14-5-3-4-13(22)10-14/h3-5,10-12H,2,6-9H2,1H3,(H,24,32)(H,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Memphis Curated by ChEMBL					Assay Description Mixed type inhibition of human autotaxin at free state isolated from MDA-MB-231 cells assessed as blockade of FS3 substrate hydrolysis by FRET assay				J Med Chem 53: 1056-66 (2010) Article DOI: 10.1021/jm9012328 BindingDB Entry DOI: 10.7270/Q2BP02VN
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50300209 (2-(4-{[(2,5-Dichlorophenyl)amino]carbonothioyl}-1-...) Show SMILES CCn1cc(C(O)=O)c(=O)c2cnc(nc12)N1CCN(CC1)C(=S)Nc1cc(Cl)ccc1Cl Show InChI InChI=1S/C21H20Cl2N6O3S/c1-2-27-11-14(19(31)32)17(30)13-10-24-20(26-18(13)27)28-5-7-29(8-6-28)21(33)25-16-9-12(22)3-4-15(16)23/h3-4,9-11H,2,5-8H2,1H3,(H,25,33)(H,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Memphis Curated by ChEMBL					Assay Description Mixed type inhibition of human autotaxin at free state isolated from MDA-MB-231 cells assessed as blockade of FS3 substrate hydrolysis by FRET assay				J Med Chem 53: 1056-66 (2010) Article DOI: 10.1021/jm9012328 BindingDB Entry DOI: 10.7270/Q2BP02VN
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50300216 (2-(4-{[(3,5-Bis(trifluoromethyl)phenyl)amino]carbo...) Show SMILES CCn1cc(C(O)=O)c(=O)c2cnc(nc12)N1CCN(CC1)C(=S)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C23H20F6N6O3S/c1-2-33-11-16(19(37)38)17(36)15-10-30-20(32-18(15)33)34-3-5-35(6-4-34)21(39)31-14-8-12(22(24,25)26)7-13(9-14)23(27,28)29/h7-11H,2-6H2,1H3,(H,31,39)(H,37,38)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Memphis Curated by ChEMBL					Assay Description Competitive inhibition of human autotaxin at free state isolated from MDA-MB-231 cells assessed as blockade of FS3 substrate hydrolysis by FRET assay				J Med Chem 53: 1056-66 (2010) Article DOI: 10.1021/jm9012328 BindingDB Entry DOI: 10.7270/Q2BP02VN
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50300221 (2-(4-{[(3,5-Dimethylphenyl)amino]carbonothioyl}-1-...) Show SMILES CCn1cc(C(O)=O)c(=O)c2cnc(nc12)N1CCN(CC1)C(=S)Nc1cc(C)cc(C)c1 Show InChI InChI=1S/C23H26N6O3S/c1-4-27-13-18(21(31)32)19(30)17-12-24-22(26-20(17)27)28-5-7-29(8-6-28)23(33)25-16-10-14(2)9-15(3)11-16/h9-13H,4-8H2,1-3H3,(H,25,33)(H,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Memphis Curated by ChEMBL					Assay Description Competitive inhibition of human autotaxin at free state isolated from MDA-MB-231 cells assessed as blockade of FS3 substrate hydrolysis by FRET assay				J Med Chem 53: 1056-66 (2010) Article DOI: 10.1021/jm9012328 BindingDB Entry DOI: 10.7270/Q2BP02VN
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50300215 (2-(4-{[(3-Methylphenyl)amino]carbonothioyl}-1-pipe...) Show SMILES CCn1cc(C(O)=O)c(=O)c2cnc(nc12)N1CCN(CC1)C(=S)Nc1cccc(C)c1 Show InChI InChI=1S/C22H24N6O3S/c1-3-26-13-17(20(30)31)18(29)16-12-23-21(25-19(16)26)27-7-9-28(10-8-27)22(32)24-15-6-4-5-14(2)11-15/h4-6,11-13H,3,7-10H2,1-2H3,(H,24,32)(H,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Memphis Curated by ChEMBL					Assay Description Competitive inhibition of human autotaxin at free state isolated from MDA-MB-231 cells assessed as blockade of FS3 substrate hydrolysis by FRET assay				J Med Chem 53: 1056-66 (2010) Article DOI: 10.1021/jm9012328 BindingDB Entry DOI: 10.7270/Q2BP02VN
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50300222 (2-(4-{[(4-Chlorophenyl)amino]carbonothioyl}-1-pipe...) Show SMILES CCn1cc(C(O)=O)c(=O)c2cnc(nc12)N1CCN(CC1)C(=S)Nc1ccc(Cl)cc1 Show InChI InChI=1S/C21H21ClN6O3S/c1-2-26-12-16(19(30)31)17(29)15-11-23-20(25-18(15)26)27-7-9-28(10-8-27)21(32)24-14-5-3-13(22)4-6-14/h3-6,11-12H,2,7-10H2,1H3,(H,24,32)(H,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Memphis Curated by ChEMBL					Assay Description Competitive inhibition of human autotaxin at free state isolated from MDA-MB-231 cells assessed as blockade of FS3 substrate hydrolysis by FRET assay				J Med Chem 53: 1056-66 (2010) Article DOI: 10.1021/jm9012328 BindingDB Entry DOI: 10.7270/Q2BP02VN
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50300217 (2-(4-{[(3-Benzothiadiazolphenyl)amino]carbonothioy...) Show SMILES CCn1cc(C(O)=O)c(=O)c2cnc(nc12)N1CCN(CC1)C(=S)Nc1ccc2nsnc2c1 Show InChI InChI=1S/C21H20N8O3S2/c1-2-27-11-14(19(31)32)17(30)13-10-22-20(24-18(13)27)28-5-7-29(8-6-28)21(33)23-12-3-4-15-16(9-12)26-34-25-15/h3-4,9-11H,2,5-8H2,1H3,(H,23,33)(H,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Memphis Curated by ChEMBL					Assay Description Competitive inhibition of human autotaxin at free state isolated from MDA-MB-231 cells assessed as blockade of FS3 substrate hydrolysis by FRET assay				J Med Chem 53: 1056-66 (2010) Article DOI: 10.1021/jm9012328 BindingDB Entry DOI: 10.7270/Q2BP02VN
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50300220 (2-(4-{[(3-Iodophenyl)amino]carbonothioyl}-1-pipera...) Show SMILES CCn1cc(C(O)=O)c(=O)c2cnc(nc12)N1CCN(CC1)C(=S)Nc1cccc(I)c1 Show InChI InChI=1S/C21H21IN6O3S/c1-2-26-12-16(19(30)31)17(29)15-11-23-20(25-18(15)26)27-6-8-28(9-7-27)21(32)24-14-5-3-4-13(22)10-14/h3-5,10-12H,2,6-9H2,1H3,(H,24,32)(H,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Memphis Curated by ChEMBL					Assay Description Mixed type inhibition of human autotaxin at free state isolated from MDA-MB-231 cells assessed as blockade of FS3 substrate hydrolysis by FRET assay				J Med Chem 53: 1056-66 (2010) Article DOI: 10.1021/jm9012328 BindingDB Entry DOI: 10.7270/Q2BP02VN
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50300220 (2-(4-{[(3-Iodophenyl)amino]carbonothioyl}-1-pipera...) Show SMILES CCn1cc(C(O)=O)c(=O)c2cnc(nc12)N1CCN(CC1)C(=S)Nc1cccc(I)c1 Show InChI InChI=1S/C21H21IN6O3S/c1-2-26-12-16(19(30)31)17(29)15-11-23-20(25-18(15)26)27-6-8-28(9-7-27)21(32)24-14-5-3-4-13(22)10-14/h3-5,10-12H,2,6-9H2,1H3,(H,24,32)(H,30,31)	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
The University of Memphis Curated by ChEMBL					Assay Description Mixed type inhibition of human autotaxin at enzyme-substrate complex isolated from MDA-MB-231 cells assessed as blockade of FS3 substrate hydrolysis ...				J Med Chem 53: 1056-66 (2010) Article DOI: 10.1021/jm9012328 BindingDB Entry DOI: 10.7270/Q2BP02VN
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50300211 (2-(4-{[(4-Iodophenyl)amino]carbonothioyl}-1-pipera...) Show SMILES CCn1cc(C(O)=O)c(=O)c2cnc(nc12)N1CCN(CC1)C(=S)Nc1ccc(I)cc1 Show InChI InChI=1S/C21H21IN6O3S/c1-2-26-12-16(19(30)31)17(29)15-11-23-20(25-18(15)26)27-7-9-28(10-8-27)21(32)24-14-5-3-13(22)4-6-14/h3-6,11-12H,2,7-10H2,1H3,(H,24,32)(H,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.32E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Memphis Curated by ChEMBL					Assay Description Mixed type inhibition of human autotaxin at free state isolated from MDA-MB-231 cells assessed as blockade of FS3 substrate hydrolysis by FRET assay				J Med Chem 53: 1056-66 (2010) Article DOI: 10.1021/jm9012328 BindingDB Entry DOI: 10.7270/Q2BP02VN
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50300208 (2-(4-{[(4-Trifluoromethylphenyl)amino]carbonothioy...) Show SMILES CCn1cc(C(O)=O)c(=O)c2cnc(nc12)N1CCN(CC1)C(=S)Nc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C22H21F3N6O3S/c1-2-29-12-16(19(33)34)17(32)15-11-26-20(28-18(15)29)30-7-9-31(10-8-30)21(35)27-14-5-3-13(4-6-14)22(23,24)25/h3-6,11-12H,2,7-10H2,1H3,(H,27,35)(H,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.32E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Memphis Curated by ChEMBL					Assay Description Noncompetitive type inhibition of human autotaxin at free state isolated from MDA-MB-231 cells assessed as blockade of FS3 substrate hydrolysis by FR...				J Med Chem 53: 1056-66 (2010) Article DOI: 10.1021/jm9012328 BindingDB Entry DOI: 10.7270/Q2BP02VN
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50300208 (2-(4-{[(4-Trifluoromethylphenyl)amino]carbonothioy...) Show SMILES CCn1cc(C(O)=O)c(=O)c2cnc(nc12)N1CCN(CC1)C(=S)Nc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C22H21F3N6O3S/c1-2-29-12-16(19(33)34)17(32)15-11-26-20(28-18(15)29)30-7-9-31(10-8-30)21(35)27-14-5-3-13(4-6-14)22(23,24)25/h3-6,11-12H,2,7-10H2,1H3,(H,27,35)(H,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.32E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Memphis Curated by ChEMBL					Assay Description Noncompetitive type inhibition of human autotaxin at enzyme-substrate complex isolated from MDA-MB-231 cells assessed as blockade of FS3 substrate hy...				J Med Chem 53: 1056-66 (2010) Article DOI: 10.1021/jm9012328 BindingDB Entry DOI: 10.7270/Q2BP02VN
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50300209 (2-(4-{[(2,5-Dichlorophenyl)amino]carbonothioyl}-1-...) Show SMILES CCn1cc(C(O)=O)c(=O)c2cnc(nc12)N1CCN(CC1)C(=S)Nc1cc(Cl)ccc1Cl Show InChI InChI=1S/C21H20Cl2N6O3S/c1-2-27-11-14(19(31)32)17(30)13-10-24-20(26-18(13)27)28-5-7-29(8-6-28)21(33)25-16-9-12(22)3-4-15(16)23/h3-4,9-11H,2,5-8H2,1H3,(H,25,33)(H,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Memphis Curated by ChEMBL					Assay Description Mixed type inhibition of human autotaxin at enzyme-substrate complex isolated from MDA-MB-231 cells assessed as blockade of FS3 substrate hydrolysis ...				J Med Chem 53: 1056-66 (2010) Article DOI: 10.1021/jm9012328 BindingDB Entry DOI: 10.7270/Q2BP02VN
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50300211 (2-(4-{[(4-Iodophenyl)amino]carbonothioyl}-1-pipera...) Show SMILES CCn1cc(C(O)=O)c(=O)c2cnc(nc12)N1CCN(CC1)C(=S)Nc1ccc(I)cc1 Show InChI InChI=1S/C21H21IN6O3S/c1-2-26-12-16(19(30)31)17(29)15-11-23-20(25-18(15)26)27-7-9-28(10-8-27)21(32)24-14-5-3-13(22)4-6-14/h3-6,11-12H,2,7-10H2,1H3,(H,24,32)(H,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.41E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Memphis Curated by ChEMBL					Assay Description Mixed type inhibition of human autotaxin at enzyme-substrate complex isolated from MDA-MB-231 cells assessed as blockade of FS3 substrate hydrolysis ...				J Med Chem 53: 1056-66 (2010) Article DOI: 10.1021/jm9012328 BindingDB Entry DOI: 10.7270/Q2BP02VN
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50300210 (2-(4-{[(3-Chlorophenyl)amino]carbonothioyl}-1-pipe...) Show SMILES CCn1cc(C(O)=O)c(=O)c2cnc(nc12)N1CCN(CC1)C(=S)Nc1cccc(Cl)c1 Show InChI InChI=1S/C21H21ClN6O3S/c1-2-26-12-16(19(30)31)17(29)15-11-23-20(25-18(15)26)27-6-8-28(9-7-27)21(32)24-14-5-3-4-13(22)10-14/h3-5,10-12H,2,6-9H2,1H3,(H,24,32)(H,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.73E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Memphis Curated by ChEMBL					Assay Description Mixed type inhibition of human autotaxin at enzyme-substrate complex isolated from MDA-MB-231 cells assessed as blockade of FS3 substrate hydrolysis ...				J Med Chem 53: 1056-66 (2010) Article DOI: 10.1021/jm9012328 BindingDB Entry DOI: 10.7270/Q2BP02VN
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50300212 (2-(4-{[(3-Trifluoromethylphenyl)amino]carbonothioy...) Show SMILES CCn1cc(C(O)=O)c(=O)c2cnc(nc12)N1CCN(CC1)C(=S)Nc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C22H21F3N6O3S/c1-2-29-12-16(19(33)34)17(32)15-11-26-20(28-18(15)29)30-6-8-31(9-7-30)21(35)27-14-5-3-4-13(10-14)22(23,24)25/h3-5,10-12H,2,6-9H2,1H3,(H,27,35)(H,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
The University of Memphis Curated by ChEMBL					Assay Description Inhibition of human autotaxin isolated from MDA-MB-231 cells assessed as blockade of FS3 substrate hydrolysis by FRET assay				J Med Chem 53: 1056-66 (2010) Article DOI: 10.1021/jm9012328 BindingDB Entry DOI: 10.7270/Q2BP02VN
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50300209 (2-(4-{[(2,5-Dichlorophenyl)amino]carbonothioyl}-1-...) Show SMILES CCn1cc(C(O)=O)c(=O)c2cnc(nc12)N1CCN(CC1)C(=S)Nc1cc(Cl)ccc1Cl Show InChI InChI=1S/C21H20Cl2N6O3S/c1-2-27-11-14(19(31)32)17(30)13-10-24-20(26-18(13)27)28-5-7-29(8-6-28)21(33)25-16-9-12(22)3-4-15(16)23/h3-4,9-11H,2,5-8H2,1H3,(H,25,33)(H,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL 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
The University of Memphis Curated by ChEMBL					Assay Description Inhibition of human autotaxin isolated from MDA-MB-231 cells assessed as blockade of FS3 substrate hydrolysis by FRET assay				J Med Chem 53: 1056-66 (2010) Article DOI: 10.1021/jm9012328 BindingDB Entry DOI: 10.7270/Q2BP02VN
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50300208 (2-(4-{[(4-Trifluoromethylphenyl)amino]carbonothioy...) Show SMILES CCn1cc(C(O)=O)c(=O)c2cnc(nc12)N1CCN(CC1)C(=S)Nc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C22H21F3N6O3S/c1-2-29-12-16(19(33)34)17(32)15-11-26-20(28-18(15)29)30-7-9-31(10-8-30)21(35)27-14-5-3-13(4-6-14)22(23,24)25/h3-6,11-12H,2,7-10H2,1H3,(H,27,35)(H,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Memphis Curated by ChEMBL					Assay Description Inhibition of human autotaxin isolated from MDA-MB-231 cells assessed as blockade of FS3 substrate hydrolysis by FRET assay				J Med Chem 53: 1056-66 (2010) Article DOI: 10.1021/jm9012328 BindingDB Entry DOI: 10.7270/Q2BP02VN
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50300214 (2-(4-((3,5-dichlorophenyl)carbamothioyl)piperazin-...) Show SMILES CCn1cc(C(O)=O)c(=O)c2cnc(nc12)N1CCN(CC1)C(=S)Nc1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C21H20Cl2N6O3S/c1-2-27-11-16(19(31)32)17(30)15-10-24-20(26-18(15)27)28-3-5-29(6-4-28)21(33)25-14-8-12(22)7-13(23)9-14/h7-11H,2-6H2,1H3,(H,25,33)(H,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Memphis Curated by ChEMBL					Assay Description Inhibition of human autotaxin isolated from MDA-MB-231 cells assessed as blockade of FS3 substrate hydrolysis by FRET assay				J Med Chem 53: 1056-66 (2010) Article DOI: 10.1021/jm9012328 BindingDB Entry DOI: 10.7270/Q2BP02VN
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50300220 (2-(4-{[(3-Iodophenyl)amino]carbonothioyl}-1-pipera...) Show SMILES CCn1cc(C(O)=O)c(=O)c2cnc(nc12)N1CCN(CC1)C(=S)Nc1cccc(I)c1 Show InChI InChI=1S/C21H21IN6O3S/c1-2-26-12-16(19(30)31)17(29)15-11-23-20(25-18(15)26)27-6-8-28(9-7-27)21(32)24-14-5-3-4-13(22)10-14/h3-5,10-12H,2,6-9H2,1H3,(H,24,32)(H,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Memphis Curated by ChEMBL					Assay Description Inhibition of human autotaxin isolated from MDA-MB-231 cells assessed as blockade of FS3 substrate hydrolysis by FRET assay				J Med Chem 53: 1056-66 (2010) Article DOI: 10.1021/jm9012328 BindingDB Entry DOI: 10.7270/Q2BP02VN
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50300210 (2-(4-{[(3-Chlorophenyl)amino]carbonothioyl}-1-pipe...) Show SMILES CCn1cc(C(O)=O)c(=O)c2cnc(nc12)N1CCN(CC1)C(=S)Nc1cccc(Cl)c1 Show InChI InChI=1S/C21H21ClN6O3S/c1-2-26-12-16(19(30)31)17(29)15-11-23-20(25-18(15)26)27-6-8-28(9-7-27)21(32)24-14-5-3-4-13(22)10-14/h3-5,10-12H,2,6-9H2,1H3,(H,24,32)(H,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Memphis Curated by ChEMBL					Assay Description Inhibition of human autotaxin isolated from MDA-MB-231 cells assessed as blockade of FS3 substrate hydrolysis by FRET assay				J Med Chem 53: 1056-66 (2010) Article DOI: 10.1021/jm9012328 BindingDB Entry DOI: 10.7270/Q2BP02VN
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50300216 (2-(4-{[(3,5-Bis(trifluoromethyl)phenyl)amino]carbo...) Show SMILES CCn1cc(C(O)=O)c(=O)c2cnc(nc12)N1CCN(CC1)C(=S)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C23H20F6N6O3S/c1-2-33-11-16(19(37)38)17(36)15-10-30-20(32-18(15)33)34-3-5-35(6-4-34)21(39)31-14-8-12(22(24,25)26)7-13(9-14)23(27,28)29/h7-11H,2-6H2,1H3,(H,31,39)(H,37,38)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Memphis Curated by ChEMBL					Assay Description Inhibition of human autotaxin isolated from MDA-MB-231 cells assessed as blockade of FS3 substrate hydrolysis by FRET assay				J Med Chem 53: 1056-66 (2010) Article DOI: 10.1021/jm9012328 BindingDB Entry DOI: 10.7270/Q2BP02VN
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50300211 (2-(4-{[(4-Iodophenyl)amino]carbonothioyl}-1-pipera...) Show SMILES CCn1cc(C(O)=O)c(=O)c2cnc(nc12)N1CCN(CC1)C(=S)Nc1ccc(I)cc1 Show InChI InChI=1S/C21H21IN6O3S/c1-2-26-12-16(19(30)31)17(29)15-11-23-20(25-18(15)26)27-7-9-28(10-8-27)21(32)24-14-5-3-13(22)4-6-14/h3-6,11-12H,2,7-10H2,1H3,(H,24,32)(H,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Memphis Curated by ChEMBL					Assay Description Inhibition of human autotaxin isolated from MDA-MB-231 cells assessed as blockade of FS3 substrate hydrolysis by FRET assay				J Med Chem 53: 1056-66 (2010) Article DOI: 10.1021/jm9012328 BindingDB Entry DOI: 10.7270/Q2BP02VN
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50300221 (2-(4-{[(3,5-Dimethylphenyl)amino]carbonothioyl}-1-...) Show SMILES CCn1cc(C(O)=O)c(=O)c2cnc(nc12)N1CCN(CC1)C(=S)Nc1cc(C)cc(C)c1 Show InChI InChI=1S/C23H26N6O3S/c1-4-27-13-18(21(31)32)19(30)17-12-24-22(26-20(17)27)28-5-7-29(8-6-28)23(33)25-16-10-14(2)9-15(3)11-16/h9-13H,4-8H2,1-3H3,(H,25,33)(H,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Memphis Curated by ChEMBL					Assay Description Inhibition of human autotaxin isolated from MDA-MB-231 cells assessed as blockade of FS3 substrate hydrolysis by FRET assay				J Med Chem 53: 1056-66 (2010) Article DOI: 10.1021/jm9012328 BindingDB Entry DOI: 10.7270/Q2BP02VN
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50300222 (2-(4-{[(4-Chlorophenyl)amino]carbonothioyl}-1-pipe...) Show SMILES CCn1cc(C(O)=O)c(=O)c2cnc(nc12)N1CCN(CC1)C(=S)Nc1ccc(Cl)cc1 Show InChI InChI=1S/C21H21ClN6O3S/c1-2-26-12-16(19(30)31)17(29)15-11-23-20(25-18(15)26)27-7-9-28(10-8-27)21(32)24-14-5-3-13(22)4-6-14/h3-6,11-12H,2,7-10H2,1H3,(H,24,32)(H,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.07E+4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Memphis Curated by ChEMBL					Assay Description Inhibition of human autotaxin isolated from MDA-MB-231 cells assessed as blockade of FS3 substrate hydrolysis by FRET assay				J Med Chem 53: 1056-66 (2010) Article DOI: 10.1021/jm9012328 BindingDB Entry DOI: 10.7270/Q2BP02VN
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50300217 (2-(4-{[(3-Benzothiadiazolphenyl)amino]carbonothioy...) Show SMILES CCn1cc(C(O)=O)c(=O)c2cnc(nc12)N1CCN(CC1)C(=S)Nc1ccc2nsnc2c1 Show InChI InChI=1S/C21H20N8O3S2/c1-2-27-11-14(19(31)32)17(30)13-10-22-20(24-18(13)27)28-5-7-29(8-6-28)21(33)23-12-3-4-15-16(9-12)26-34-25-15/h3-4,9-11H,2,5-8H2,1H3,(H,23,33)(H,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.21E+4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Memphis Curated by ChEMBL					Assay Description Inhibition of human autotaxin isolated from MDA-MB-231 cells assessed as blockade of FS3 substrate hydrolysis by FRET assay				J Med Chem 53: 1056-66 (2010) Article DOI: 10.1021/jm9012328 BindingDB Entry DOI: 10.7270/Q2BP02VN
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50300215 (2-(4-{[(3-Methylphenyl)amino]carbonothioyl}-1-pipe...) Show SMILES CCn1cc(C(O)=O)c(=O)c2cnc(nc12)N1CCN(CC1)C(=S)Nc1cccc(C)c1 Show InChI InChI=1S/C22H24N6O3S/c1-3-26-13-17(20(30)31)18(29)16-12-23-21(25-19(16)26)27-7-9-28(10-8-27)22(32)24-15-6-4-5-14(2)11-15/h4-6,11-13H,3,7-10H2,1-2H3,(H,24,32)(H,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.35E+4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Memphis Curated by ChEMBL					Assay Description Inhibition of human autotaxin isolated from MDA-MB-231 cells assessed as blockade of FS3 substrate hydrolysis by FRET assay				J Med Chem 53: 1056-66 (2010) Article DOI: 10.1021/jm9012328 BindingDB Entry DOI: 10.7270/Q2BP02VN
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50300218 (2-(4-{[(4-Methylphenyl)amino]carbonothioyl}-1-pipe...) Show SMILES CCn1cc(C(O)=O)c(=O)c2cnc(nc12)N1CCN(CC1)C(=S)Nc1ccc(C)cc1 Show InChI InChI=1S/C22H24N6O3S/c1-3-26-13-17(20(30)31)18(29)16-12-23-21(25-19(16)26)27-8-10-28(11-9-27)22(32)24-15-6-4-14(2)5-7-15/h4-7,12-13H,3,8-11H2,1-2H3,(H,24,32)(H,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.61E+4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Memphis Curated by ChEMBL					Assay Description Inhibition of human autotaxin isolated from MDA-MB-231 cells assessed as blockade of FS3 substrate hydrolysis by FRET assay				J Med Chem 53: 1056-66 (2010) Article DOI: 10.1021/jm9012328 BindingDB Entry DOI: 10.7270/Q2BP02VN
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50300219 (2-(4-{[(3-Fluorophenyl)amino]carbonothioyl}-1-pipe...) Show SMILES CCn1cc(C(O)=O)c(=O)c2cnc(nc12)N1CCN(CC1)C(=S)Nc1cccc(F)c1 Show InChI InChI=1S/C21H21FN6O3S/c1-2-26-12-16(19(30)31)17(29)15-11-23-20(25-18(15)26)27-6-8-28(9-7-27)21(32)24-14-5-3-4-13(22)10-14/h3-5,10-12H,2,6-9H2,1H3,(H,24,32)(H,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.61E+4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Memphis Curated by ChEMBL					Assay Description Inhibition of human autotaxin isolated from MDA-MB-231 cells assessed as blockade of FS3 substrate hydrolysis by FRET assay				J Med Chem 53: 1056-66 (2010) Article DOI: 10.1021/jm9012328 BindingDB Entry DOI: 10.7270/Q2BP02VN
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50300213 (2-(4-{[(3-Methoxyphenyl)amino]carbonothioyl}-1-pip...) Show SMILES CCn1cc(C(O)=O)c(=O)c2cnc(nc12)N1CCN(CC1)C(=S)Nc1cccc(OC)c1 Show InChI InChI=1S/C22H24N6O4S/c1-3-26-13-17(20(30)31)18(29)16-12-23-21(25-19(16)26)27-7-9-28(10-8-27)22(33)24-14-5-4-6-15(11-14)32-2/h4-6,11-13H,3,7-10H2,1-2H3,(H,24,33)(H,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.77E+4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Memphis Curated by ChEMBL					Assay Description Inhibition of human autotaxin isolated from MDA-MB-231 cells assessed as blockade of FS3 substrate hydrolysis by FRET assay				J Med Chem 53: 1056-66 (2010) Article DOI: 10.1021/jm9012328 BindingDB Entry DOI: 10.7270/Q2BP02VN
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50300223 (2-(4-{[(4-Fluorophenyl)amino]carbonothioyl}-1-pipe...) Show SMILES CCn1cc(C(O)=O)c(=O)c2cnc(nc12)N1CCN(CC1)C(=S)Nc1ccc(F)cc1 Show InChI InChI=1S/C21H21FN6O3S/c1-2-26-12-16(19(30)31)17(29)15-11-23-20(25-18(15)26)27-7-9-28(10-8-27)21(32)24-14-5-3-13(22)4-6-14/h3-6,11-12H,2,7-10H2,1H3,(H,24,32)(H,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.77E+4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Memphis Curated by ChEMBL					Assay Description Inhibition of human autotaxin isolated from MDA-MB-231 cells assessed as blockade of FS3 substrate hydrolysis by FRET assay				J Med Chem 53: 1056-66 (2010) Article DOI: 10.1021/jm9012328 BindingDB Entry DOI: 10.7270/Q2BP02VN
					More data for this Ligand-Target Pair