Compile Data Set for Download or QSAR

Found 93 hits with Last Name = 'wanjala' and Initial = 'iw'   

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))	BDBM50316078 ((5-amino-3-((4'-((8-amino-1-hydroxy-3,6-disulfo-2-...) Show SMILES COc1cc(ccc1N=Nc1c(O)c2c(N)cc(cc2cc1S(O)(=O)=O)S(O)(=O)=O)-c1ccc(N=Nc2c(O)c3c(N)cc(cc3cc2S(O)(=O)=O)S(O)(=O)=O)c(OC)c1 |w:8.8,34.36| Show InChI InChI=1S/C34H28N6O16S4/c1-55-25-9-15(3-5-23(25)37-39-31-27(59(49,50)51)11-17-7-19(57(43,44)45)13-21(35)29(17)33(31)41)16-4-6-24(26(10-16)56-2)38-40-32-28(60(52,53)54)12-18-8-20(58(46,47)48)14-22(36)30(18)34(32)42/h3-14,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	271	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 recombinant C-terminal FLAG-tagged autotaxin expressed in baculovirus-infected Sf9 cells assessed as FS-3 hydrolysis ...				J Med Chem 53: 3095-105 (2010) Article DOI: 10.1021/jm901718z BindingDB Entry DOI: 10.7270/Q2QZ2BXS
					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))	BDBM50366944 (Azovan Blue | Azovan sodium | EVANS BLUE) Show SMILES Cc1cc(ccc1N=Nc1ccc2c(cc(c(N)c2c1O)S([O-])(=O)=O)S([O-])(=O)=O)-c1ccc(N=Nc2ccc3c(cc(c(N)c3c2O)S([O-])(=O)=O)S([O-])(=O)=O)c(C)c1 |w:34.37,7.7| Show InChI InChI=1S/C34H28N6O14S4/c1-15-11-17(3-7-21(15)37-39-23-9-5-19-25(55(43,44)45)13-27(57(49,50)51)31(35)29(19)33(23)41)18-4-8-22(16(2)12-18)38-40-24-10-6-20-26(56(46,47)48)14-28(58(52,53)54)32(36)30(20)34(24)42/h3-14,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)/p-4	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	824	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 recombinant C-terminal FLAG-tagged autotaxin expressed in baculovirus-infected Sf9 cells assessed as FS-3 hydrolysis ...				J Med Chem 53: 3095-105 (2010) Article DOI: 10.1021/jm901718z BindingDB Entry DOI: 10.7270/Q2QZ2BXS
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50316087 (7-[(4-{[4-({4-[(6,8-disulfonaphthalen-2-yl)carbamo...) Show SMILES OC1=C(Nc2ccc(cc2)C(=O)Nc2ccc3cc(cc(c3c2)S(O)(=O)=O)S(O)(=O)=O)C(=O)C(O)=C(Nc2ccc(cc2)C(=O)Nc2ccc3cc(cc(c3c2)S(O)(=O)=O)S(O)(=O)=O)C1=O |c:1,t:37| Show InChI InChI=1S/C40H28N4O18S4/c45-35-33(41-23-7-1-19(2-8-23)39(49)43-25-11-5-21-13-27(63(51,52)53)17-31(29(21)15-25)65(57,58)59)36(46)38(48)34(37(35)47)42-24-9-3-20(4-10-24)40(50)44-26-12-6-22-14-28(64(54,55)56)18-32(30(22)16-26)66(60,61)62/h1-18,41-42,45,48H,(H,43,49)(H,44,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.14E+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 recombinant C-terminal FLAG-tagged autotaxin expressed in baculovirus-infected Sf9 cells assessed as FS-3 hydrolysis ...				J Med Chem 53: 3095-105 (2010) Article DOI: 10.1021/jm901718z BindingDB Entry DOI: 10.7270/Q2QZ2BXS
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50316081 (5-amino-2-((4'-((6-amino-3-hydroxy-1-sulfonaphthal...) Show SMILES Nc1ccc2c(c(N=Nc3ccc(cc3)-c3ccc(cc3)N=Nc3c(O)c4c(N)cc(cc4cc3S(O)(=O)=O)S(O)(=O)=O)c(O)cc2c1)S(O)(=O)=O |w:21.22,8.8| Show InChI InChI=1S/C32H24N6O11S3/c33-20-5-10-24-18(11-20)13-26(39)29(32(24)52(47,48)49)37-35-21-6-1-16(2-7-21)17-3-8-22(9-4-17)36-38-30-27(51(44,45)46)14-19-12-23(50(41,42)43)15-25(34)28(19)31(30)40/h1-15,39-40H,33-34H2,(H,41,42,43)(H,44,45,46)(H,47,48,49)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.46E+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 recombinant C-terminal FLAG-tagged autotaxin expressed in baculovirus-infected Sf9 cells assessed as FS-3 hydrolysis ...				J Med Chem 53: 3095-105 (2010) Article DOI: 10.1021/jm901718z BindingDB Entry DOI: 10.7270/Q2QZ2BXS
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50079267 (Congo Red | Direct red 28 | Kongorot | Sodium diph...) Show SMILES Nc1c(cc(c2ccccc12)S([O-])(=O)=O)\N=N\c1ccc(cc1)-c1ccc(cc1)\N=N\c1cc(c2ccccc2c1N)S([O-])(=O)=O Show InChI InChI=1S/C32H24N6O6S2/c33-31-25-7-3-1-5-23(25)29(45(39,40)41)17-27(31)37-35-21-13-9-19(10-14-21)20-11-15-22(16-12-20)36-38-28-18-30(46(42,43)44)24-6-2-4-8-26(24)32(28)34/h1-18H,33-34H2,(H,39,40,41)(H,42,43,44)/p-2/b37-35+,38-36+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	1.89E+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 Noncompetitive inhibition of human recombinant C-terminal FLAG-tagged autotaxin expressed in baculovirus-infected Sf9 cells assessed as FS-3 hydrolys...				J Med Chem 53: 3095-105 (2010) Article DOI: 10.1021/jm901718z BindingDB Entry DOI: 10.7270/Q2QZ2BXS
					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))	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-type inhibition of autotaxin-mediated FS3 hydrolysis by Michaelis-Menton analysis				Bioorg Med Chem 18: 769-76 (2010) Article DOI: 10.1016/j.bmc.2009.11.056 BindingDB Entry DOI: 10.7270/Q2RR1ZBG
					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))	BDBM50308960 (2-(4-((9H-xanthene-9-carbonyl)carbamothioyl)pipera...) Show SMILES CCn1cc(C(O)=O)c(=O)c2cnc(nc12)N1CCN(CC1)C(=S)NC(=O)C1c2ccccc2Oc2ccccc12 Show InChI InChI=1S/C29H26N6O5S/c1-2-33-16-20(27(38)39)24(36)19-15-30-28(31-25(19)33)34-11-13-35(14-12-34)29(41)32-26(37)23-17-7-3-5-9-21(17)40-22-10-6-4-8-18(22)23/h3-10,15-16,23H,2,11-14H2,1H3,(H,38,39)(H,32,37,41)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	2.70E+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 Mixed-type inhibition of autotaxin-mediated FS3 hydrolysis by Michaelis-Menton analysis				Bioorg Med Chem 18: 769-76 (2010) Article DOI: 10.1016/j.bmc.2009.11.056 BindingDB Entry DOI: 10.7270/Q2RR1ZBG
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50308960 (2-(4-((9H-xanthene-9-carbonyl)carbamothioyl)pipera...) Show SMILES CCn1cc(C(O)=O)c(=O)c2cnc(nc12)N1CCN(CC1)C(=S)NC(=O)C1c2ccccc2Oc2ccccc12 Show InChI InChI=1S/C29H26N6O5S/c1-2-33-16-20(27(38)39)24(36)19-15-30-28(31-25(19)33)34-11-13-35(14-12-34)29(41)32-26(37)23-17-7-3-5-9-21(17)40-22-10-6-4-8-18(22)23/h3-10,15-16,23H,2,11-14H2,1H3,(H,38,39)(H,32,37,41)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	2.70E+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-type inhibition of autotaxin-mediated pNP-TMP hydrolysis by Michaelis-Menton analysis				Bioorg Med Chem 18: 769-76 (2010) Article DOI: 10.1016/j.bmc.2009.11.056 BindingDB Entry DOI: 10.7270/Q2RR1ZBG
					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))	BDBM50308959 (4,4'-(5,5'-carbonylbis(1,3-dioxoisoindoline-5,2-di...) Show SMILES OC(=O)c1ccc(CN2C(=O)c3ccc(cc3C2=O)C(=O)c2ccc3C(=O)N(Cc4ccc(cc4)C(O)=O)C(=O)c3c2)cc1 Show InChI InChI=1S/C33H20N2O9/c36-27(21-9-11-23-25(13-21)30(39)34(28(23)37)15-17-1-5-19(6-2-17)32(41)42)22-10-12-24-26(14-22)31(40)35(29(24)38)16-18-3-7-20(8-4-18)33(43)44/h1-14H,15-16H2,(H,41,42)(H,43,44)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	5.00E+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-type inhibition of autotaxin-mediated FS3 hydrolysis by Michaelis-Menton analysis				Bioorg Med Chem 18: 769-76 (2010) Article DOI: 10.1016/j.bmc.2009.11.056 BindingDB Entry DOI: 10.7270/Q2RR1ZBG
					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))	BDBM50308958 (4-(4-(2-(naphthalen-1-yl)-1,3-dioxoisoindoline-5-c...) Show SMILES OC(=O)c1ccc(Oc2ccc(cc2)C(=O)c2ccc3C(=O)N(C(=O)c3c2)c2cccc3ccccc23)cc1 Show InChI InChI=1S/C32H19NO6/c34-29(20-8-13-23(14-9-20)39-24-15-10-21(11-16-24)32(37)38)22-12-17-26-27(18-22)31(36)33(30(26)35)28-7-3-5-19-4-1-2-6-25(19)28/h1-18H,(H,37,38)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	5.80E+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 autotaxin-mediated FS3 hydrolysis by Michaelis-Menton analysis				Bioorg Med Chem 18: 769-76 (2010) Article DOI: 10.1016/j.bmc.2009.11.056 BindingDB Entry DOI: 10.7270/Q2RR1ZBG
					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	6.50E+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 Noncompetitive inhibition of autotaxin-mediated pNP-TMP hydrolysis by Michaelis-Menton analysis				Bioorg Med Chem 18: 769-76 (2010) Article DOI: 10.1016/j.bmc.2009.11.056 BindingDB Entry DOI: 10.7270/Q2RR1ZBG
					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	6.50E+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 Noncompetitive inhibition of autotaxin-mediated pNP-TMP hydrolysis by Michaelis-Menton analysis for enzyme-substrate complex				Bioorg Med Chem 18: 769-76 (2010) Article DOI: 10.1016/j.bmc.2009.11.056 BindingDB Entry DOI: 10.7270/Q2RR1ZBG
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50308961 (4-(2-(3-ethyl-4-oxo-3,4,6,7,8,9-hexahydropyrimido[...) Show SMILES CCn1c(SCC(=O)Nc2ccc(cc2)C(O)=O)nc2nc3CCCCc3cc2c1=O Show InChI InChI=1S/C22H22N4O4S/c1-2-26-20(28)16-11-14-5-3-4-6-17(14)24-19(16)25-22(26)31-12-18(27)23-15-9-7-13(8-10-15)21(29)30/h7-11H,2-6,12H2,1H3,(H,23,27)(H,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.50E+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 Noncompetitive inhibition of autotaxin-mediated FS3 hydrolysis by Michaelis-Menton analysis				Bioorg Med Chem 18: 769-76 (2010) Article DOI: 10.1016/j.bmc.2009.11.056 BindingDB Entry DOI: 10.7270/Q2RR1ZBG
					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))	BDBM50308961 (4-(2-(3-ethyl-4-oxo-3,4,6,7,8,9-hexahydropyrimido[...) Show SMILES CCn1c(SCC(=O)Nc2ccc(cc2)C(O)=O)nc2nc3CCCCc3cc2c1=O Show InChI InChI=1S/C22H22N4O4S/c1-2-26-20(28)16-11-14-5-3-4-6-17(14)24-19(16)25-22(26)31-12-18(27)23-15-9-7-13(8-10-15)21(29)30/h7-11H,2-6,12H2,1H3,(H,23,27)(H,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.30E+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 Noncompetitive inhibition of autotaxin-mediated FS3 hydrolysis by Michaelis-Menton analysis for enzyme-substrate complex				Bioorg Med Chem 18: 769-76 (2010) Article DOI: 10.1016/j.bmc.2009.11.056 BindingDB Entry DOI: 10.7270/Q2RR1ZBG
					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 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))	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))	BDBM50308957 (3-(1,3-dioxo-2-(4-(phenyldiazenyl)phenyl)isoindoli...) Show SMILES OC(=O)c1cccc(NC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2ccc(cc2)\N=N\c2ccccc2)c1 Show InChI InChI=1S/C28H18N4O5/c33-25(29-21-8-4-5-18(15-21)28(36)37)17-9-14-23-24(16-17)27(35)32(26(23)34)22-12-10-20(11-13-22)31-30-19-6-2-1-3-7-19/h1-16H,(H,29,33)(H,36,37)/b31-30+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.51E+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 autotaxin-mediated FS3 hydrolysis by Michaelis-Menton analysis				Bioorg Med Chem 18: 769-76 (2010) Article DOI: 10.1016/j.bmc.2009.11.056 BindingDB Entry DOI: 10.7270/Q2RR1ZBG
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50308960 (2-(4-((9H-xanthene-9-carbonyl)carbamothioyl)pipera...) Show SMILES CCn1cc(C(O)=O)c(=O)c2cnc(nc12)N1CCN(CC1)C(=S)NC(=O)C1c2ccccc2Oc2ccccc12 Show InChI InChI=1S/C29H26N6O5S/c1-2-33-16-20(27(38)39)24(36)19-15-30-28(31-25(19)33)34-11-13-35(14-12-34)29(41)32-26(37)23-17-7-3-5-9-21(17)40-22-10-6-4-8-18(22)23/h3-10,15-16,23H,2,11-14H2,1H3,(H,38,39)(H,32,37,41)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	1.98E+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 autotaxin-mediated FS3 hydrolysis by Michaelis-Menton analysis for enzyme-substrate complex				Bioorg Med Chem 18: 769-76 (2010) Article DOI: 10.1016/j.bmc.2009.11.056 BindingDB Entry DOI: 10.7270/Q2RR1ZBG
					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))	BDBM50308958 (4-(4-(2-(naphthalen-1-yl)-1,3-dioxoisoindoline-5-c...) Show SMILES OC(=O)c1ccc(Oc2ccc(cc2)C(=O)c2ccc3C(=O)N(C(=O)c3c2)c2cccc3ccccc23)cc1 Show InChI InChI=1S/C32H19NO6/c34-29(20-8-13-23(14-9-20)39-24-15-10-21(11-16-24)32(37)38)22-12-17-26-27(18-22)31(36)33(30(26)35)28-7-3-5-19-4-1-2-6-25(19)28/h1-18H,(H,37,38)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	3.23E+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 autotaxin-mediated FS3 hydrolysis by Michaelis-Menton analysis for enzyme-substrate complex				Bioorg Med Chem 18: 769-76 (2010) Article DOI: 10.1016/j.bmc.2009.11.056 BindingDB Entry DOI: 10.7270/Q2RR1ZBG
					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))	BDBM50308957 (3-(1,3-dioxo-2-(4-(phenyldiazenyl)phenyl)isoindoli...) Show SMILES OC(=O)c1cccc(NC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2ccc(cc2)\N=N\c2ccccc2)c1 Show InChI InChI=1S/C28H18N4O5/c33-25(29-21-8-4-5-18(15-21)28(36)37)17-9-14-23-24(16-17)27(35)32(26(23)34)22-12-10-20(11-13-22)31-30-19-6-2-1-3-7-19/h1-16H,(H,29,33)(H,36,37)/b31-30+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.03E+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 autotaxin-mediated FS3 hydrolysis by Michaelis-Menton analysis for enzyme-substrate complex				Bioorg Med Chem 18: 769-76 (2010) Article DOI: 10.1016/j.bmc.2009.11.056 BindingDB Entry DOI: 10.7270/Q2RR1ZBG
					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))	BDBM50316078 ((5-amino-3-((4'-((8-amino-1-hydroxy-3,6-disulfo-2-...) Show SMILES COc1cc(ccc1N=Nc1c(O)c2c(N)cc(cc2cc1S(O)(=O)=O)S(O)(=O)=O)-c1ccc(N=Nc2c(O)c3c(N)cc(cc3cc2S(O)(=O)=O)S(O)(=O)=O)c(OC)c1 |w:8.8,34.36| Show InChI InChI=1S/C34H28N6O16S4/c1-55-25-9-15(3-5-23(25)37-39-31-27(59(49,50)51)11-17-7-19(57(43,44)45)13-21(35)29(17)33(31)41)16-4-6-24(26(10-16)56-2)38-40-32-28(60(52,53)54)12-18-8-20(58(46,47)48)14-22(36)30(18)34(32)42/h3-14,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	372	n/a	n/a	n/a	n/a	n/a	n/a
The University of Memphis Curated by ChEMBL					Assay Description Inhibition of human recombinant C-terminal FLAG-tagged autotaxin expressed in baculovirus-infected Sf9 cells assessed as FS-3 hydrolysis				J Med Chem 53: 3095-105 (2010) Article DOI: 10.1021/jm901718z BindingDB Entry DOI: 10.7270/Q2QZ2BXS
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50316087 (7-[(4-{[4-({4-[(6,8-disulfonaphthalen-2-yl)carbamo...) Show SMILES OC1=C(Nc2ccc(cc2)C(=O)Nc2ccc3cc(cc(c3c2)S(O)(=O)=O)S(O)(=O)=O)C(=O)C(O)=C(Nc2ccc(cc2)C(=O)Nc2ccc3cc(cc(c3c2)S(O)(=O)=O)S(O)(=O)=O)C1=O |c:1,t:37| Show InChI InChI=1S/C40H28N4O18S4/c45-35-33(41-23-7-1-19(2-8-23)39(49)43-25-11-5-21-13-27(63(51,52)53)17-31(29(21)15-25)65(57,58)59)36(46)38(48)34(37(35)47)42-24-9-3-20(4-10-24)40(50)44-26-12-6-22-14-28(64(54,55)56)18-32(30(22)16-26)66(60,61)62/h1-18,41-42,45,48H,(H,43,49)(H,44,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	805	n/a	n/a	n/a	n/a	n/a	n/a
The University of Memphis Curated by ChEMBL					Assay Description Inhibition of human recombinant C-terminal FLAG-tagged autotaxin expressed in baculovirus-infected Sf9 cells assessed as FS-3 hydrolysis				J Med Chem 53: 3095-105 (2010) Article DOI: 10.1021/jm901718z BindingDB Entry DOI: 10.7270/Q2QZ2BXS
					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))	BDBM50366944 (Azovan Blue | Azovan sodium | EVANS BLUE) Show SMILES Cc1cc(ccc1N=Nc1ccc2c(cc(c(N)c2c1O)S([O-])(=O)=O)S([O-])(=O)=O)-c1ccc(N=Nc2ccc3c(cc(c(N)c3c2O)S([O-])(=O)=O)S([O-])(=O)=O)c(C)c1 |w:34.37,7.7| Show InChI InChI=1S/C34H28N6O14S4/c1-15-11-17(3-7-21(15)37-39-23-9-5-19-25(55(43,44)45)13-27(57(49,50)51)31(35)29(19)33(23)41)18-4-8-22(16(2)12-18)38-40-24-10-6-20-26(56(46,47)48)14-28(58(52,53)54)32(36)30(20)34(24)42/h3-14,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)/p-4	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	922	n/a	n/a	n/a	n/a	n/a	n/a
The University of Memphis Curated by ChEMBL					Assay Description Inhibition of human recombinant C-terminal FLAG-tagged autotaxin expressed in baculovirus-infected Sf9 cells assessed as FS-3 hydrolysis				J Med Chem 53: 3095-105 (2010) Article DOI: 10.1021/jm901718z BindingDB Entry DOI: 10.7270/Q2QZ2BXS
					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	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Memphis Curated by ChEMBL					Assay Description Inhibition of autotaxin-mediated pNP-TMP hydrolysis in human MDA-MB-435 cells by amplex red protocol				Bioorg Med Chem 18: 769-76 (2010) Article DOI: 10.1016/j.bmc.2009.11.056 BindingDB Entry DOI: 10.7270/Q2RR1ZBG
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50316081 (5-amino-2-((4'-((6-amino-3-hydroxy-1-sulfonaphthal...) Show SMILES Nc1ccc2c(c(N=Nc3ccc(cc3)-c3ccc(cc3)N=Nc3c(O)c4c(N)cc(cc4cc3S(O)(=O)=O)S(O)(=O)=O)c(O)cc2c1)S(O)(=O)=O |w:21.22,8.8| Show InChI InChI=1S/C32H24N6O11S3/c33-20-5-10-24-18(11-20)13-26(39)29(32(24)52(47,48)49)37-35-21-6-1-16(2-7-21)17-3-8-22(9-4-17)36-38-30-27(51(44,45)46)14-19-12-23(50(41,42)43)15-25(34)28(19)31(30)40/h1-15,39-40H,33-34H2,(H,41,42,43)(H,44,45,46)(H,47,48,49)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.26E+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 recombinant C-terminal FLAG-tagged autotaxin expressed in baculovirus-infected Sf9 cells assessed as FS-3 hydrolysis				J Med Chem 53: 3095-105 (2010) Article DOI: 10.1021/jm901718z BindingDB Entry DOI: 10.7270/Q2QZ2BXS
					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))	BDBM50079267 (Congo Red | Direct red 28 | Kongorot | Sodium diph...) Show SMILES Nc1c(cc(c2ccccc12)S([O-])(=O)=O)\N=N\c1ccc(cc1)-c1ccc(cc1)\N=N\c1cc(c2ccccc2c1N)S([O-])(=O)=O Show InChI InChI=1S/C32H24N6O6S2/c33-31-25-7-3-1-5-23(25)29(45(39,40)41)17-27(31)37-35-21-13-9-19(10-14-21)20-11-15-22(16-12-20)36-38-28-18-30(46(42,43)44)24-6-2-4-8-26(24)32(28)34/h1-18H,33-34H2,(H,39,40,41)(H,42,43,44)/p-2/b37-35+,38-36+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.31E+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 recombinant C-terminal FLAG-tagged autotaxin expressed in baculovirus-infected Sf9 cells assessed as FS-3 hydrolysis				J Med Chem 53: 3095-105 (2010) Article DOI: 10.1021/jm901718z BindingDB Entry DOI: 10.7270/Q2QZ2BXS
					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))	BDBM50308960 (2-(4-((9H-xanthene-9-carbonyl)carbamothioyl)pipera...) Show SMILES CCn1cc(C(O)=O)c(=O)c2cnc(nc12)N1CCN(CC1)C(=S)NC(=O)C1c2ccccc2Oc2ccccc12 Show InChI InChI=1S/C29H26N6O5S/c1-2-33-16-20(27(38)39)24(36)19-15-30-28(31-25(19)33)34-11-13-35(14-12-34)29(41)32-26(37)23-17-7-3-5-9-21(17)40-22-10-6-4-8-18(22)23/h3-10,15-16,23H,2,11-14H2,1H3,(H,38,39)(H,32,37,41)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	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 autotaxin-mediated FS3 hydrolysis in human MDA-MB-435 cells by amplex red protocol				Bioorg Med Chem 18: 769-76 (2010) Article DOI: 10.1016/j.bmc.2009.11.056 BindingDB Entry DOI: 10.7270/Q2RR1ZBG
					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))	BDBM50308961 (4-(2-(3-ethyl-4-oxo-3,4,6,7,8,9-hexahydropyrimido[...) Show SMILES CCn1c(SCC(=O)Nc2ccc(cc2)C(O)=O)nc2nc3CCCCc3cc2c1=O Show InChI InChI=1S/C22H22N4O4S/c1-2-26-20(28)16-11-14-5-3-4-6-17(14)24-19(16)25-22(26)31-12-18(27)23-15-9-7-13(8-10-15)21(29)30/h7-11H,2-6,12H2,1H3,(H,23,27)(H,29,30)	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 autotaxin-mediated FS3 hydrolysis in human MDA-MB-435 cells by amplex red protocol				Bioorg Med Chem 18: 769-76 (2010) Article DOI: 10.1016/j.bmc.2009.11.056 BindingDB Entry DOI: 10.7270/Q2RR1ZBG
					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 autotaxin-mediated FS3 hydrolysis in human MDA-MB-435 cells by amplex red protocol				Bioorg Med Chem 18: 769-76 (2010) Article DOI: 10.1016/j.bmc.2009.11.056 BindingDB Entry DOI: 10.7270/Q2RR1ZBG
					More data for this Ligand-Target Pair

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