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There are 30 purchasable compounds for target: Autotaxin (ATX)

Wt: 650.6
BDBM50079267
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Wt: 436.5
BDBM50148348
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Wt: 934.9
BDBM50195138
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Wt: 506.5
BDBM50300212
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Wt: 507.3
BDBM50300214
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Wt: 452.5
BDBM50300218
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Wt: 472.9
BDBM50300222
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Wt: 456.4
BDBM50300223
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Wt: 490.4
BDBM50308957
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Wt: 513.4
BDBM50308958
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Wt: 588.5
BDBM50308959
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Wt: 570.6
BDBM50308960
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Wt: 463.4
BDBM50322701
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Wt: 479.9
BDBM50322704
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Wt: 379.4
BDBM50322705
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Displayed 1 to 15 (of 30 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 36 hits for monomerid = 50079267,50148348,50195138,50300212,50300214,50300218,50300222,50300223,50308957,50308958,50308959,50308960,50322701,50322704,50322705   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Autotaxin


(Homo sapiens (Human))
BDBM50148348
PNG
((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
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0.100n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50300212
PNG
(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)
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0.700n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50300214
PNG
(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)
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1.90n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50300222
PNG
(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)
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5.70n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50079267
PNG
(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+
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1.89E+3n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50300214
PNG
(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)
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1.90E+3n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50308960
PNG
(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)
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2.70E+3n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50308960
PNG
(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)
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2.70E+3n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50308959
PNG
(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)
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5.00E+3n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50308958
PNG
(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)
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5.80E+3n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50300214
PNG
(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)
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6.50E+3n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50300214
PNG
(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)
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6.50E+3n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50308957
PNG
(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+
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1.51E+4n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50308960
PNG
(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)
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1.98E+4n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50308958
PNG
(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)
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3.23E+4n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50308957
PNG
(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+
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4.03E+4n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50308959
PNG
(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)
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n/an/a 1.28E+4n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50308960
PNG
(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)
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n/an/a 1.50E+3n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50308960
PNG
(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)
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n/an/a 1.70E+3n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50308957
PNG
(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+
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n/an/a 1.28E+4n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50300218
PNG
(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)
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n/an/a 16n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50322705
PNG
(3-benzyl-5-((1,3-dimethyl-2-oxo-2,3-dihydro-1H-ben...)
Show SMILES Cn1c2ccc(\C=C3/SC(=O)N(Cc4ccccc4)C3=O)cc2n(C)c1=O
Show InChI InChI=1S/C20H17N3O3S/c1-21-15-9-8-14(10-16(15)22(2)19(21)25)11-17-18(24)23(20(26)27-17)12-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3/b17-11-
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n/an/a 111n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of 6x-histidine-tagged human recombinant ATX expressed in HEK293 cells using bisP-nitrophenyl phosphate as a substrate


J Med Chem 53: 4958-67 (2010)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50322701
PNG
(4-((4-((3-(4-fluorobenzyl)-2,4-dioxothiazolidin-5-...)
Show SMILES OC(=O)c1ccc(COc2ccc(\C=C3/SC(=O)N(Cc4ccc(F)cc4)C3=O)cc2)cc1
Show InChI InChI=1S/C25H18FNO5S/c26-20-9-3-17(4-10-20)14-27-23(28)22(33-25(27)31)13-16-5-11-21(12-6-16)32-15-18-1-7-19(8-2-18)24(29)30/h1-13H,14-15H2,(H,29,30)/b22-13-
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n/an/a 1.63E+3n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of 6x-histidine-tagged human recombinant ATX expressed in HEK293 cells assessed as lysophosphatidulcholine release


J Med Chem 53: 4958-67 (2010)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50322704
PNG
(CHEMBL1173377 | N-(3-chlorophenyl)-2-(6-(1,3-dioxo...)
Show SMILES Clc1cccc(NC(=O)CSc2nc3ccc(cc3s2)N2C(=O)c3ccccc3C2=O)c1
Show InChI InChI=1S/C23H14ClN3O3S2/c24-13-4-3-5-14(10-13)25-20(28)12-31-23-26-18-9-8-15(11-19(18)32-23)27-21(29)16-6-1-2-7-17(16)22(27)30/h1-11H,12H2,(H,25,28)
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n/an/a 261n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of 6x-histidine-tagged human recombinant ATX expressed in HEK293 cells using bisP-nitrophenyl phosphate as a substrate


J Med Chem 53: 4958-67 (2010)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50148348
PNG
((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
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n/an/a 442n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of 6x-histidine-tagged human recombinant ATX expressed in HEK293 cells using bisP-nitrophenyl phosphate as a substrate


J Med Chem 53: 4958-67 (2010)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50300212
PNG
(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)
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n/an/a 0.900n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50079267
PNG
(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+
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n/an/a 1.31E+3n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50195138
PNG
(4-[7,12,17-tris(4-sulfophenyl)-21,22,23,24-tetraaz...)
Show SMILES OS(=O)(=O)c1ccc(cc1)-c1c2ccc(n2)c(-c2ccc(cc2)S(O)(=O)=O)c2ccc([nH]2)c(-c2ccc(cc2)S(O)(=O)=O)c2ccc(n2)c(-c2ccc(cc2)S(O)(=O)=O)c2ccc1[nH]2
Show InChI InChI=1S/C44H30N4O12S4/c49-61(50,51)29-9-1-25(2-10-29)41-33-17-19-35(45-33)42(26-3-11-30(12-4-26)62(52,53)54)37-21-23-39(47-37)44(28-7-15-32(16-8-28)64(58,59)60)40-24-22-38(48-40)43(36-20-18-34(41)46-36)27-5-13-31(14-6-27)63(55,56)57/h1-24,45,48H,(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60)/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-
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n/an/a 7.80E+3n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50300223
PNG
(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)
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n/an/a 18n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50300214
PNG
(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)
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n/an/a 1.20E+3n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50300222
PNG
(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)
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n/an/a 11n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50148348
PNG
((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
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n/an/a 500n/an/an/an/an/an/a



Technical University of Lodz

Curated by ChEMBL


Assay Description
Inhibition of human recombinant autotaxin expressed in insect Sf9 cells using FS-3 as substrate preincubated for 10 mins prior substrate addition mea...


Bioorg Med Chem Lett 22: 2698-700 (2012)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50308958
PNG
(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)
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n/an/a 6.80E+3n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50300214
PNG
(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)
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n/an/a 1.60n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50308958
PNG
(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)
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n/an/a 6.80E+3n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50300214
PNG
(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)
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n/an/a 1.60E+3n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair