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Found 51 hits Enz. Inhib. hit(s) with Target = 'Autotaxin (mATX)' AND taxid = 10090   
Target
(Institution)
LigandTarget
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
pHTemp
°C
Autotaxin (mATX)


(Mus musculus)
BDBM103575
PNG
(ATX inhibitor 10 analogue 5 | US8551988, 65)
Show SMILES OB(O)c1cccc(CN2CCN(CC2)C2=NC(=O)\C(S2)=C\c2ccc(Cl)c(Cl)c2)c1
Show InChI InChI=1S/C21H20BCl2N3O3S/c23-17-5-4-14(11-18(17)24)12-19-20(28)25-21(31-19)27-8-6-26(7-9-27)13-15-2-1-3-16(10-15)22(29)30/h1-5,10-12,29-30H,6-9,13H2/b19-12-
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The University of Tokyo





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More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Autotaxin (mATX)


(Mus musculus)
BDBM103576
PNG
(ATX inhibitor 10 analogue 6)
Show SMILES OB(O)c1ccc(CN2CCN(CC2)C2=NC(=O)\C(S2)=C\c2ccc(Cl)c(Cl)c2)cc1
Show InChI InChI=1S/C21H20BCl2N3O3S/c23-17-6-3-15(11-18(17)24)12-19-20(28)25-21(31-19)27-9-7-26(8-10-27)13-14-1-4-16(5-2-14)22(29)30/h1-6,11-12,29-30H,7-10,13H2/b19-12-
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More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Autotaxin (mATX)


(Mus musculus)
BDBM103577
PNG
(ATX inhibitor 10 analogue 7)
Show SMILES OC(=O)c1ccc(CN2CCN(CC2)C2=NC(=O)\C(S2)=C\c2ccc(Cl)c(Cl)c2)cc1
Show InChI InChI=1S/C22H19Cl2N3O3S/c23-17-6-3-15(11-18(17)24)12-19-20(28)25-22(31-19)27-9-7-26(8-10-27)13-14-1-4-16(5-2-14)21(29)30/h1-6,11-12H,7-10,13H2,(H,29,30)/b19-12-
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More data for this
Ligand-Target Pair
Autotaxin (mATX)


(Mus musculus)
BDBM103568
PNG
(ATX inhibitor 16)
Show SMILES COc1cc(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(OC)c1
Show InChI InChI=1S/C34H28N6O16S4/c1-55-23-11-15(3-7-19(23)37-39-21-9-5-17-25(57(43,44)45)13-27(59(49,50)51)31(35)29(17)33(21)41)16-4-8-20(24(12-16)56-2)38-40-22-10-6-18-26(58(46,47)48)14-28(60(52,53)54)32(36)30(18)34(22)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
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More data for this
Ligand-Target Pair
Autotaxin (mATX)


(Mus musculus)
BDBM103980
PNG
(Disubstituted aryl-Me ATX inhibitor 8)
Show SMILES CN1CCN(CC1)C1=NC(=O)\C(S1)=C\c1cc(cc(c1)C(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C23H33N3OS/c1-22(2,3)17-12-16(13-18(15-17)23(4,5)6)14-19-20(27)24-21(28-19)26-10-8-25(7)9-11-26/h12-15H,8-11H2,1-7H3/b19-14-
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Assay Description
Inhibitory activities of hit compounds towards ENPP1-5 were calculated using pNP-TMP, and the inhibitory activities of hit compounds towards ENPP6 an...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin (mATX)


(Mus musculus)
BDBM103979
PNG
(Disubstituted aryl-Me ATX inhibitor 7)
Show SMILES CN1CCN(CC1)C1=NC(=O)\C(S1)=C\c1cc(Br)cc(Br)c1
Show InChI InChI=1S/C15H15Br2N3OS/c1-19-2-4-20(5-3-19)15-18-14(21)13(22-15)8-10-6-11(16)9-12(17)7-10/h6-9H,2-5H2,1H3/b13-8-
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Inhibitory activities of hit compounds towards ENPP1-5 were calculated using pNP-TMP, and the inhibitory activities of hit compounds towards ENPP6 an...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin (mATX)


(Mus musculus)
BDBM103902
PNG
(Disubstituted aryl-Me ATX inhibitor 9 | US8563583,...)
Show SMILES COc1cc(ccc1OCC(C)(C)O)-n1ccc(COc2ccccn2)cc1=O
Show InChI InChI=1S/C22H24N2O5/c1-22(2,26)15-29-18-8-7-17(13-19(18)27-3)24-11-9-16(12-21(24)25)14-28-20-6-4-5-10-23-20/h4-13,26H,14-15H2,1-3H3
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Inhibitory activities of hit compounds towards ENPP1-5 were calculated using pNP-TMP, and the inhibitory activities of hit compounds towards ENPP6 an...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin (mATX)


(Mus musculus)
BDBM103976
PNG
(Disubstituted aryl-Me ATX inhibitor 4)
Show SMILES CN1CCN(CC1)C1=NC(=O)\C(S1)=C\c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C15H15Cl2N3OS/c1-19-2-4-20(5-3-19)15-18-14(21)13(22-15)8-10-6-11(16)9-12(17)7-10/h6-9H,2-5H2,1H3/b13-8-
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Inhibitory activities of hit compounds towards ENPP1-5 were calculated using pNP-TMP, and the inhibitory activities of hit compounds towards ENPP6 an...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin (mATX)


(Mus musculus)
BDBM103969
PNG
(Monosubstituted aryl-Me ATX inhibitor 7)
Show SMILES CN1CCN(CC1)C1=NC(=O)\C(S1)=C\c1ccc(I)cc1
Show InChI InChI=1S/C15H16IN3OS/c1-18-6-8-19(9-7-18)15-17-14(20)13(21-15)10-11-2-4-12(16)5-3-11/h2-5,10H,6-9H2,1H3/b13-10-
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Assay Description
Inhibitory activities of hit compounds towards ENPP1-5 were calculated using pNP-TMP, and the inhibitory activities of hit compounds towards ENPP6 an...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin (mATX)


(Mus musculus)
BDBM103571
PNG
(ATX inhibitor 10 analogue 1)
Show SMILES Clc1ccc(\C=C2/SC(=NC2=O)N2CCNCC2)cc1Cl
Show InChI InChI=1S/C14H13Cl2N3OS/c15-10-2-1-9(7-11(10)16)8-12-13(20)18-14(21-12)19-5-3-17-4-6-19/h1-2,7-8,17H,3-6H2/b12-8-
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More data for this
Ligand-Target Pair
Autotaxin (mATX)


(Mus musculus)
BDBM103584
PNG
(ATX inhibitor 10 analogue 14)
Show SMILES Clc1ccc(\C=C2/SC(=NC2=O)N2CCN(Cc3ccncc3)CC2)cc1Cl
Show InChI InChI=1S/C20H18Cl2N4OS/c21-16-2-1-15(11-17(16)22)12-18-19(27)24-20(28-18)26-9-7-25(8-10-26)13-14-3-5-23-6-4-14/h1-6,11-12H,7-10,13H2/b18-12-
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More data for this
Ligand-Target Pair
Autotaxin (mATX)


(Mus musculus)
BDBM103961
PNG
(ATX inhibitor 10 | Disubstituted aryl-Me ATX inhib...)
Show SMILES CN1CCN(CC1)C1=NC(=O)\C(S1)=C\c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H15Cl2N3OS/c1-19-4-6-20(7-5-19)15-18-14(21)13(22-15)9-10-2-3-11(16)12(17)8-10/h2-3,8-9H,4-7H2,1H3/b13-9-
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More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Autotaxin (mATX)


(Mus musculus)
BDBM103978
PNG
(Disubstituted aryl-Me ATX inhibitor 6)
Show SMILES CN1CCN(CC1)C1=NC(=O)\C(S1)=C\c1ccc(Br)c(Br)c1
Show InChI InChI=1S/C15H15Br2N3OS/c1-19-4-6-20(7-5-19)15-18-14(21)13(22-15)9-10-2-3-11(16)12(17)8-10/h2-3,8-9H,4-7H2,1H3/b13-9-
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Assay Description
Inhibitory activities of hit compounds towards ENPP1-5 were calculated using pNP-TMP, and the inhibitory activities of hit compounds towards ENPP6 an...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin (mATX)


(Mus musculus)
BDBM103972
PNG
(Monosubstituted aryl-Me ATX inhibitor 10)
Show SMILES CN1CCN(CC1)C1=NC(=O)\C(S1)=C\c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C16H16F3N3OS/c1-21-6-8-22(9-7-21)15-20-14(23)13(24-15)10-11-2-4-12(5-3-11)16(17,18)19/h2-5,10H,6-9H2,1H3/b13-10-
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Assay Description
Inhibitory activities of hit compounds towards ENPP1-5 were calculated using pNP-TMP, and the inhibitory activities of hit compounds towards ENPP6 an...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin (mATX)


(Mus musculus)
BDBM103573
PNG
(ATX inhibitor 10 analogue 3)
Show SMILES [O-]S(=O)(=O)CCCCN1CCN(CC1)C1=NC(=O)\C(S1)=C\c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C18H21Cl2N3O4S2/c19-14-4-3-13(11-15(14)20)12-16-17(24)21-18(28-16)23-8-6-22(7-9-23)5-1-2-10-29(25,26)27/h3-4,11-12H,1-2,5-10H2,(H,25,26,27)/p-1/b16-12-
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More data for this
Ligand-Target Pair
Autotaxin (mATX)


(Mus musculus)
BDBM103961
PNG
(ATX inhibitor 10 | Disubstituted aryl-Me ATX inhib...)
Show SMILES CN1CCN(CC1)C1=NC(=O)\C(S1)=C\c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H15Cl2N3OS/c1-19-4-6-20(7-5-19)15-18-14(21)13(22-15)9-10-2-3-11(16)12(17)8-10/h2-3,8-9H,4-7H2,1H3/b13-9-
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Assay Description
Inhibitory activities of hit compounds towards ENPP1-5 were calculated using pNP-TMP, and the inhibitory activities of hit compounds towards ENPP6 an...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Autotaxin (mATX)


(Mus musculus)
BDBM103959
PNG
(ATX inhibitor 7)
Show SMILES CCCCCCCN=Cc1c(O)n(-c2ccc(F)cc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C18H22FN3O3/c1-2-3-4-5-6-11-20-12-15-16(23)21-18(25)22(17(15)24)14-9-7-13(19)8-10-14/h7-10,12,24H,2-6,11H2,1H3,(H,21,23,25)
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More data for this
Ligand-Target Pair
Autotaxin (mATX)


(Mus musculus)
BDBM103971
PNG
(Monosubstituted aryl-Me ATX inhibitor 9)
Show SMILES CN1CCN(CC1)C1=NC(=O)\C(S1)=C\c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H15F6N3OS/c1-25-2-4-26(5-3-25)15-24-14(27)13(28-15)8-10-6-11(16(18,19)20)9-12(7-10)17(21,22)23/h6-9H,2-5H2,1H3/b13-8-
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Assay Description
Inhibitory activities of hit compounds towards ENPP1-5 were calculated using pNP-TMP, and the inhibitory activities of hit compounds towards ENPP6 an...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin (mATX)


(Mus musculus)
BDBM103583
PNG
(ATX inhibitor 10 analogue 13)
Show SMILES Clc1ccc(\C=C2/SC(=NC2=O)N2CCN(Cc3cccnc3)CC2)cc1Cl
Show InChI InChI=1S/C20H18Cl2N4OS/c21-16-4-3-14(10-17(16)22)11-18-19(27)24-20(28-18)26-8-6-25(7-9-26)13-15-2-1-5-23-12-15/h1-5,10-12H,6-9,13H2/b18-11-
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More data for this
Ligand-Target Pair
Autotaxin (mATX)


(Mus musculus)
BDBM103960
PNG
(ATX inhibitor 8)
Show SMILES Cc1nc2ccccn2c(=O)c1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C16H13ClN2O/c1-11-14(10-12-5-7-13(17)8-6-12)16(20)19-9-3-2-4-15(19)18-11/h2-9H,10H2,1H3
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More data for this
Ligand-Target Pair
Autotaxin (mATX)


(Mus musculus)
BDBM103578
PNG
(ATX inhibitor 10 analogue 8)
Show SMILES OC(=O)CN1CCN(CC1)C1=NC(=O)\C(S1)=C\c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H15Cl2N3O3S/c17-11-2-1-10(7-12(11)18)8-13-15(24)19-16(25-13)21-5-3-20(4-6-21)9-14(22)23/h1-2,7-8H,3-6,9H2,(H,22,23)/b13-8-
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More data for this
Ligand-Target Pair
Autotaxin (mATX)


(Mus musculus)
BDBM103572
PNG
(ATX inhibitor 10 analogue 2)
Show SMILES OC(=O)CCCCN1CCN(CC1)C1=NC(=O)\C(S1)=C\c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C19H21Cl2N3O3S/c20-14-5-4-13(11-15(14)21)12-16-18(27)22-19(28-16)24-9-7-23(8-10-24)6-2-1-3-17(25)26/h4-5,11-12H,1-3,6-10H2,(H,25,26)/b16-12-
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Citation and Details
More data for this
Ligand-Target Pair
Autotaxin (mATX)


(Mus musculus)
BDBM103579
PNG
(ATX inhibitor 10 analogue 9 | ATX inhibitor 9)
Show SMILES OC(=O)CCCN1CCN(CC1)C1=NC(=O)\C(S1)=C\c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C18H19Cl2N3O3S/c19-13-4-3-12(10-14(13)20)11-15-17(26)21-18(27-15)23-8-6-22(7-9-23)5-1-2-16(24)25/h3-4,10-11H,1-2,5-9H2,(H,24,25)/b15-11-
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More data for this
Ligand-Target Pair
Autotaxin (mATX)


(Mus musculus)
BDBM103563
PNG
(ATX inhibitor 9)
Show SMILES CCN1CCN(CC1)C1=NC(=O)\C(S1)=C\c1ccc(Cl)cc1
Show InChI InChI=1S/C16H18ClN3OS/c1-2-19-7-9-20(10-8-19)16-18-15(21)14(22-16)11-12-3-5-13(17)6-4-12/h3-6,11H,2,7-10H2,1H3/b14-11-
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The University of Tokyo





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More data for this
Ligand-Target Pair
Autotaxin (mATX)


(Mus musculus)
BDBM103560
PNG
(ATX inhibitor 2)
Show SMILES COc1ccc(cc1CSCC(O)=O)C(=O)\C=C\c1ccc(ON=O)cc1
Show InChI InChI=1S/C19H17NO6S/c1-25-18-9-5-14(10-15(18)11-27-12-19(22)23)17(21)8-4-13-2-6-16(7-3-13)26-20-24/h2-10H,11-12H2,1H3,(H,22,23)/b8-4+
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n/an/a 420n/an/an/an/an/an/a



The University of Tokyo





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More data for this
Ligand-Target Pair
Autotaxin (mATX)


(Mus musculus)
BDBM103580
PNG
(ATX inhibitor 10 analogue 10)
Show SMILES [O-]S(=O)(=O)CCCN1CCN(CC1)C1=NC(=O)\C(S1)=C\c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H19Cl2N3O4S2/c18-13-3-2-12(10-14(13)19)11-15-16(23)20-17(27-15)22-7-5-21(6-8-22)4-1-9-28(24,25)26/h2-3,10-11H,1,4-9H2,(H,24,25,26)/p-1/b15-11-
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n/an/a 420n/an/an/an/an/an/a



The University of Tokyo





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More data for this
Ligand-Target Pair
Autotaxin (mATX)


(Mus musculus)
BDBM103559
PNG
(ATX inhibitor 1)
Show SMILES NS(=O)(=O)c1ccc(N2CCN(CC2)c2ccc(O)cc2)c(ON=O)c1
Show InChI InChI=1S/C16H18N4O5S/c17-26(23,24)14-5-6-15(16(11-14)25-18-22)20-9-7-19(8-10-20)12-1-3-13(21)4-2-12/h1-6,11,21H,7-10H2,(H2,17,23,24)
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n/an/a 450n/an/an/an/an/an/a



The University of Tokyo





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More data for this
Ligand-Target Pair
Autotaxin (mATX)


(Mus musculus)
BDBM103968
PNG
(Monosubstituted aryl-Me ATX inhibitor 6)
Show SMILES CN1CCN(CC1)C1=NC(=O)\C(S1)=C\c1ccc(Br)cc1
Show InChI InChI=1S/C15H16BrN3OS/c1-18-6-8-19(9-7-18)15-17-14(20)13(21-15)10-11-2-4-12(16)5-3-11/h2-5,10H,6-9H2,1H3/b13-10-
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n/an/a 450n/an/an/an/an/an/a



The University of Tokyo



Assay Description
Inhibitory activities of hit compounds towards ENPP1-5 were calculated using pNP-TMP, and the inhibitory activities of hit compounds towards ENPP6 an...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin (mATX)


(Mus musculus)
BDBM103585
PNG
(ATX inhibitor 10 analogue 15)
Show SMILES Clc1ccc(\C=C2/SC(=NC2=O)N2CCN(CCCc3ccccn3)CC2)cc1Cl
Show InChI InChI=1S/C22H22Cl2N4OS/c23-18-7-6-16(14-19(18)24)15-20-21(29)26-22(30-20)28-12-10-27(11-13-28)9-3-5-17-4-1-2-8-25-17/h1-2,4,6-8,14-15H,3,5,9-13H2/b20-15-
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n/an/a 450n/an/an/an/an/an/a



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More data for this
Ligand-Target Pair
Autotaxin (mATX)


(Mus musculus)
BDBM103582
PNG
(ATX inhibitor 10 analogue 12)
Show SMILES Clc1ccc(\C=C2/SC(=NC2=O)N2CCN(Cc3ccccn3)CC2)cc1Cl
Show InChI InChI=1S/C20H18Cl2N4OS/c21-16-5-4-14(11-17(16)22)12-18-19(27)24-20(28-18)26-9-7-25(8-10-26)13-15-3-1-2-6-23-15/h1-6,11-12H,7-10,13H2/b18-12-
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n/an/a 480n/an/an/an/an/an/a



The University of Tokyo





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More data for this
Ligand-Target Pair
Autotaxin (mATX)


(Mus musculus)
BDBM103956
PNG
(ATX inhibitor 3)
Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)OCc1ncc(o1)-c1ccc(F)cc1
Show InChI InChI=1S/C17H12ClFN2O5S/c18-13-6-3-11(7-15(13)27(20,23)24)17(22)25-9-16-21-8-14(26-16)10-1-4-12(19)5-2-10/h1-8H,9H2,(H2,20,23,24)
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n/an/a 560n/an/an/an/an/an/a



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More data for this
Ligand-Target Pair
Autotaxin (mATX)


(Mus musculus)
BDBM103574
PNG
(US8551988, 64)
Show SMILES OB(O)c1ccccc1CN1CCN(CC1)C1=NC(=O)\C(S1)=C\c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C21H20BCl2N3O3S/c23-17-6-5-14(11-18(17)24)12-19-20(28)25-21(31-19)27-9-7-26(8-10-27)13-15-3-1-2-4-16(15)22(29)30/h1-6,11-12,29-30H,7-10,13H2/b19-12-
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n/an/a 580n/an/an/an/an/an/a



The University of Tokyo





Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Autotaxin (mATX)


(Mus musculus)
BDBM103961
PNG
(ATX inhibitor 10 | Disubstituted aryl-Me ATX inhib...)
Show SMILES CN1CCN(CC1)C1=NC(=O)\C(S1)=C\c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H15Cl2N3OS/c1-19-4-6-20(7-5-19)15-18-14(21)13(22-15)9-10-2-3-11(16)12(17)8-10/h2-3,8-9H,4-7H2,1H3/b13-9-
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n/an/a 640n/an/an/an/an/an/a



The University of Tokyo



Assay Description
Inhibitory activities of hit compounds towards ENPP1-5 were calculated using pNP-TMP, and the inhibitory activities of hit compounds towards ENPP6 an...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Autotaxin (mATX)


(Mus musculus)
BDBM103564
PNG
(ATX inhibitor 11)
Show SMILES COC(=O)C1=C(N)N(C2=C(C1c1ccc(OC)c(OC)c1)C(=O)CCC2)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C25H27N3O7S/c1-33-19-12-7-14(13-20(19)34-2)21-22-17(5-4-6-18(22)29)28(24(26)23(21)25(30)35-3)15-8-10-16(11-9-15)36(27,31)32/h7-13,21H,4-6,26H2,1-3H3,(H2,27,31,32)
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n/an/a 670n/an/an/an/an/an/a



The University of Tokyo





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More data for this
Ligand-Target Pair
Autotaxin (mATX)


(Mus musculus)
BDBM103567
PNG
(ATX inhibitor 15)
Show SMILES CN(C)P(=NC(=S)Nc1cccc(c1)S(N)(=O)=O)(N(C)C)c1ccncc1
Show InChI InChI=1S/C16H23N6O2PS2/c1-21(2)25(22(3)4,14-8-10-18-11-9-14)20-16(26)19-13-6-5-7-15(12-13)27(17,23)24/h5-12H,1-4H3,(H,19,26)(H2,17,23,24)
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n/an/a 790n/an/an/an/an/an/a



The University of Tokyo





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More data for this
Ligand-Target Pair
Autotaxin (mATX)


(Mus musculus)
BDBM103581
PNG
(ATX inhibitor 10 analogue 11)
Show SMILES Clc1ccc(\C=C2/SC(=NC2=O)N2CCN(Cc3ccccc3)CC2)cc1Cl
Show InChI InChI=1S/C21H19Cl2N3OS/c22-17-7-6-16(12-18(17)23)13-19-20(27)24-21(28-19)26-10-8-25(9-11-26)14-15-4-2-1-3-5-15/h1-7,12-13H,8-11,14H2/b19-13-
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n/an/a 840n/an/an/an/an/an/a



The University of Tokyo





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More data for this
Ligand-Target Pair
Autotaxin (mATX)


(Mus musculus)
BDBM103561
PNG
(ATX inhibitor 6)
Show SMILES NS(=O)(=O)c1ccc(Nc2nc(cs2)-c2ccc(O)c(O)c2)cc1
Show InChI InChI=1S/C15H13N3O4S2/c16-24(21,22)11-4-2-10(3-5-11)17-15-18-12(8-23-15)9-1-6-13(19)14(20)7-9/h1-8,19-20H,(H,17,18)(H2,16,21,22)
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n/an/a 1.00E+3n/an/an/an/an/an/a



The University of Tokyo





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More data for this
Ligand-Target Pair
Autotaxin (mATX)


(Mus musculus)
BDBM103957
PNG
(ATX inhibitor 4)
Show SMILES Cc1cc(C)c(C)c(c1C)S(=O)(=O)N1CCN(CC1)C(=O)NCCCn1ccnc1
Show InChI InChI=1S/C21H31N5O3S/c1-16-14-17(2)19(4)20(18(16)3)30(28,29)26-12-10-25(11-13-26)21(27)23-6-5-8-24-9-7-22-15-24/h7,9,14-15H,5-6,8,10-13H2,1-4H3,(H,23,27)
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n/an/a 1.10E+3n/an/an/an/an/an/a



The University of Tokyo





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More data for this
Ligand-Target Pair
Autotaxin (mATX)


(Mus musculus)
BDBM103566
PNG
(US8551988, 54)
Show SMILES Oc1ccc(CN=Nc2ccc(ON=O)cc2S(=O)(=O)Nc2ccc(Cl)cc2)cc1O
Show InChI InChI=1S/C19H15ClN4O6S/c20-13-2-4-14(5-3-13)23-31(28,29)19-10-15(30-24-27)6-7-16(19)22-21-11-12-1-8-17(25)18(26)9-12/h1-10,23,25-26H,11H2
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n/an/a 1.10E+3n/an/an/an/an/an/a



The University of Tokyo





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More data for this
Ligand-Target Pair
Autotaxin (mATX)


(Mus musculus)
BDBM103970
PNG
(Monosubstituted aryl-Me ATX inhibitor 8)
Show SMILES CN1CCN(CC1)C1=NC(=O)\C(S1)=C\c1ccc(C)cc1
Show InChI InChI=1S/C16H19N3OS/c1-12-3-5-13(6-4-12)11-14-15(20)17-16(21-14)19-9-7-18(2)8-10-19/h3-6,11H,7-10H2,1-2H3/b14-11-
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n/an/a 1.40E+3n/an/an/an/an/an/a



The University of Tokyo



Assay Description
Inhibitory activities of hit compounds towards ENPP1-5 were calculated using pNP-TMP, and the inhibitory activities of hit compounds towards ENPP6 an...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin (mATX)


(Mus musculus)
BDBM103565
PNG
(ATX inhibitor 12)
Show SMILES C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@H](OC(=O)CCC(=O)NCCc4cnc[nH]4)C3CC[C@H]21
Show InChI InChI=1S/C27H37N3O4/c1-27-12-10-19(31)14-17(27)2-3-21-20-5-7-24(22(20)4-6-23(21)27)34-26(33)9-8-25(32)29-13-11-18-15-28-16-30-18/h14-16,20-24H,2-13H2,1H3,(H,28,30)(H,29,32)/t20-,21-,22?,23-,24-,27-/m0/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



The University of Tokyo





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More data for this
Ligand-Target Pair
Autotaxin (mATX)


(Mus musculus)
BDBM103958
PNG
(ATX inhibitor 5)
Show SMILES NS(=O)(=O)c1cc(ON=O)c(s1)N1CCNCC1
Show InChI InChI=1S/C8H12N4O4S2/c9-18(14,15)7-5-6(16-11-13)8(17-7)12-3-1-10-2-4-12/h5,10H,1-4H2,(H2,9,14,15)
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n/an/a 1.70E+3n/an/an/an/an/an/a



The University of Tokyo





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More data for this
Ligand-Target Pair
Autotaxin (mATX)


(Mus musculus)
BDBM103966
PNG
(Monosubstituted aryl-Me ATX inhibitor 4)
Show SMILES CN1CCN(CC1)C1=NC(=O)\C(S1)=C\c1cccc(Cl)c1
Show InChI InChI=1S/C15H16ClN3OS/c1-18-5-7-19(8-6-18)15-17-14(20)13(21-15)10-11-3-2-4-12(16)9-11/h2-4,9-10H,5-8H2,1H3/b13-10-
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n/an/a 1.90E+3n/an/an/an/an/an/a



The University of Tokyo



Assay Description
Inhibitory activities of hit compounds towards ENPP1-5 were calculated using pNP-TMP, and the inhibitory activities of hit compounds towards ENPP6 an...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin (mATX)


(Mus musculus)
BDBM103962
PNG
(ATX inhibitor 13)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1ccc(C=C2C(=O)NC(=S)NC2=O)o1
Show InChI InChI=1S/C15H11N3O5S2/c16-25(21,22)10-4-1-8(2-5-10)12-6-3-9(23-12)7-11-13(19)17-15(24)18-14(11)20/h1-7H,(H2,16,21,22)(H2,17,18,19,20,24)
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n/an/a 2.30E+3n/an/an/an/an/an/a



The University of Tokyo





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More data for this
Ligand-Target Pair
Autotaxin (mATX)


(Mus musculus)
BDBM103974
PNG
(Disubstituted aryl-Me ATX inhibitor 2)
Show SMILES CN1CCN(CC1)C1=NC(=O)\C(S1)=C\c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C15H15Cl2N3OS/c1-19-4-6-20(7-5-19)15-18-14(21)13(22-15)8-10-2-3-11(16)9-12(10)17/h2-3,8-9H,4-7H2,1H3/b13-8-
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n/an/a 3.00E+3n/an/an/an/an/an/a



The University of Tokyo



Assay Description
Inhibitory activities of hit compounds towards ENPP1-5 were calculated using pNP-TMP, and the inhibitory activities of hit compounds towards ENPP6 an...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin (mATX)


(Mus musculus)
BDBM103973
PNG
(Disubstituted aryl-Me ATX inhibitor 1)
Show SMILES CN1CCN(CC1)C1=NC(=O)\C(S1)=C\c1ccc(F)c(F)c1
Show InChI InChI=1S/C15H15F2N3OS/c1-19-4-6-20(7-5-19)15-18-14(21)13(22-15)9-10-2-3-11(16)12(17)8-10/h2-3,8-9H,4-7H2,1H3/b13-9-
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n/an/a 4.20E+3n/an/an/an/an/an/a



The University of Tokyo



Assay Description
Inhibitory activities of hit compounds towards ENPP1-5 were calculated using pNP-TMP, and the inhibitory activities of hit compounds towards ENPP6 an...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin (mATX)


(Mus musculus)
BDBM103977
PNG
(Disubstituted aryl-Me ATX inhibitor 5)
Show SMILES CN1CCN(CC1)C1=NC(=O)\C(S1)=C\c1c(Cl)cccc1Cl
Show InChI InChI=1S/C15H15Cl2N3OS/c1-19-5-7-20(8-6-19)15-18-14(21)13(22-15)9-10-11(16)3-2-4-12(10)17/h2-4,9H,5-8H2,1H3/b13-9-
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n/an/a 1.10E+4n/an/an/an/an/an/a



The University of Tokyo



Assay Description
Inhibitory activities of hit compounds towards ENPP1-5 were calculated using pNP-TMP, and the inhibitory activities of hit compounds towards ENPP6 an...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin (mATX)


(Mus musculus)
BDBM103964
PNG
(Monosubstituted aryl-Me ATX inhibitor 2)
Show SMILES CN1CCN(CC1)C1=NC(=O)\C(S1)=C\c1ccc(F)cc1
Show InChI InChI=1S/C15H16FN3OS/c1-18-6-8-19(9-7-18)15-17-14(20)13(21-15)10-11-2-4-12(16)5-3-11/h2-5,10H,6-9H2,1H3/b13-10-
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n/an/a 1.60E+4n/an/an/an/an/an/a



The University of Tokyo



Assay Description
Inhibitory activities of hit compounds towards ENPP1-5 were calculated using pNP-TMP, and the inhibitory activities of hit compounds towards ENPP6 an...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin (mATX)


(Mus musculus)
BDBM103965
PNG
(Monosubstituted aryl-Me ATX inhibitor 3)
Show SMILES CN1CCN(CC1)C1=NC(=O)\C(S1)=C\c1ccccc1Cl
Show InChI InChI=1S/C15H16ClN3OS/c1-18-6-8-19(9-7-18)15-17-14(20)13(21-15)10-11-4-2-3-5-12(11)16/h2-5,10H,6-9H2,1H3/b13-10-
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n/an/a 2.00E+4n/an/an/an/an/an/a



The University of Tokyo



Assay Description
Inhibitory activities of hit compounds towards ENPP1-5 were calculated using pNP-TMP, and the inhibitory activities of hit compounds towards ENPP6 an...


Citation and Details
More data for this
Ligand-Target Pair
Autotaxin (mATX)


(Mus musculus)
BDBM103963
PNG
(Monosubstituted aryl-Me ATX inhibitor 1)
Show SMILES CN1CCN(CC1)C1=NC(=O)\C(S1)=C\c1ccccc1
Show InChI InChI=1S/C15H17N3OS/c1-17-7-9-18(10-8-17)15-16-14(19)13(20-15)11-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3/b13-11-
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KEGG

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Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



The University of Tokyo



Assay Description
Inhibitory activities of hit compounds towards ENPP1-5 were calculated using pNP-TMP, and the inhibitory activities of hit compounds towards ENPP6 an...


Citation and Details
More data for this
Ligand-Target Pair
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