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There are 16 purchasable compounds for target: Autotaxin (mATX)

Wt: 363.4
BDBM103561
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Wt: 335.8
BDBM103563
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Wt: 513.5
BDBM103564
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Wt: 900.8
BDBM103568
Wt: 347.4
BDBM103903
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Wt: 305.3
BDBM103964
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Wt: 321.8
BDBM103965
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Wt: 366.2
BDBM103968
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Wt: 301.4
BDBM103970
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Wt: 356.2
BDBM103977
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Wt: 410.8
BDBM103956
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Wt: 433.5
BDBM103957
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Wt: 347.3
BDBM103959
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Wt: 287.3
BDBM103963
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Wt: 356.2
BDBM103961
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Displayed 1 to 15 (of 16 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 103561,103563,103564,103568,103903,103964,103965,103968,103970,103977,103956,103957,103959,103963,103961   
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 (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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The University of Tokyo





ACS Chem Biol 8: 1713-21 (2013)

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


(Mus musculus)
BDBM103903
PNG
(Disubstituted aryl-Me ATX inhibitor 10 | US8563583...)
Show SMILES COc1ccc(\C=C2/SC(=NC2=O)N2CCN(C)CC2)cc1OC
Show InChI InChI=1S/C17H21N3O3S/c1-19-6-8-20(9-7-19)17-18-16(21)15(24-17)11-12-4-5-13(22-2)14(10-12)23-3/h4-5,10-11H,6-9H2,1-3H3/b15-11-
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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...


ACS Chem Biol 8: 1713-21 (2013)

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





ACS Chem Biol 8: 1713-21 (2013)

More data for this
Ligand-Target Pair
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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ACS Chem Biol 8: 1713-21 (2013)

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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ACS Chem Biol 8: 1713-21 (2013)

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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n/an/a 180n/an/an/an/an/an/a



The University of Tokyo





ACS Chem Biol 8: 1713-21 (2013)

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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ACS Chem Biol 8: 1713-21 (2013)

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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The University of Tokyo





ACS Chem Biol 8: 1713-21 (2013)

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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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...


ACS Chem Biol 8: 1713-21 (2013)

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...


ACS Chem Biol 8: 1713-21 (2013)

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...


ACS Chem Biol 8: 1713-21 (2013)

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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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...


ACS Chem Biol 8: 1713-21 (2013)

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


ACS Chem Biol 8: 1713-21 (2013)

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...


ACS Chem Biol 8: 1713-21 (2013)

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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n/an/a 240n/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...


ACS Chem Biol 8: 1713-21 (2013)

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


ACS Chem Biol 8: 1713-21 (2013)

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



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ACS Chem Biol 8: 1713-21 (2013)

More data for this
Ligand-Target Pair