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PubMed code 28112925

Compile data set for download or QSAR
Found 44 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Autotaxin


(Homo sapiens (Human))
BDBM50233168
PNG
(CHEMBL4085965)
Show SMILES Fc1cc(NC(=O)c2cc(c(Cl)cc2Cl)S(=O)(=O)N2CCOCC2)cc(F)c1F
Show InChI InChI=1S/C17H13Cl2F3N2O4S/c18-11-8-12(19)15(29(26,27)24-1-3-28-4-2-24)7-10(11)17(25)23-9-5-13(20)16(22)14(21)6-9/h5-8H,1-4H2,(H,23,25)
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PubMed
n/an/a 9n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal FLAg-tagged ATX lysophospholipase D activity expressed in baculovirus infected sf9 cells using FRET based ...


J Med Chem 60: 1309-1324 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01270
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50233187
PNG
(CHEMBL4079588)
Show SMILES Fc1cc(NC(=O)c2cc(c(Cl)cc2Cl)S(=O)(=O)N2CCOCC2)c(Br)c(F)c1F
Show InChI InChI=1S/C17H12BrCl2F3N2O4S/c18-14-12(7-11(21)15(22)16(14)23)24-17(26)8-5-13(10(20)6-9(8)19)30(27,28)25-1-3-29-4-2-25/h5-7H,1-4H2,(H,24,26)
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n/an/a 18n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal FLAg-tagged ATX lysophospholipase D activity expressed in baculovirus infected sf9 cells using FRET based ...


J Med Chem 60: 1309-1324 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01270
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50233154
PNG
(CHEMBL4096134)
Show SMILES Fc1ccc(NC(=O)c2cc(c(Cl)cc2Cl)S(=O)(=O)N2CCOCC2)cc1F
Show InChI InChI=1S/C17H14Cl2F2N2O4S/c18-12-9-13(19)16(28(25,26)23-3-5-27-6-4-23)8-11(12)17(24)22-10-1-2-14(20)15(21)7-10/h1-2,7-9H,3-6H2,(H,22,24)
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n/an/a 32n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal FLAg-tagged ATX lysophospholipase D activity expressed in baculovirus infected sf9 cells using FRET based ...


J Med Chem 60: 1309-1324 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01270
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50233173
PNG
(CHEMBL4094366)
Show SMILES Fc1cc(NC(=S)c2cc(c(Cl)cc2Cl)S(=O)(=O)N2CCOCC2)cc(F)c1F
Show InChI InChI=1S/C17H13Cl2F3N2O3S2/c18-11-8-12(19)15(29(25,26)24-1-3-27-4-2-24)7-10(11)17(28)23-9-5-13(20)16(22)14(21)6-9/h5-8H,1-4H2,(H,23,28)
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n/an/a 35n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal FLAg-tagged ATX lysophospholipase D activity expressed in baculovirus infected sf9 cells using FRET based ...


J Med Chem 60: 1309-1324 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01270
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50233166
PNG
(CHEMBL4060128)
Show SMILES Fc1c(Cl)cc(NC(=O)c2cc(c(Cl)cc2Cl)S(=O)(=O)N2CCOCC2)cc1Cl
Show InChI InChI=1S/C17H13Cl4FN2O4S/c18-11-8-12(19)15(29(26,27)24-1-3-28-4-2-24)7-10(11)17(25)23-9-5-13(20)16(22)14(21)6-9/h5-8H,1-4H2,(H,23,25)
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n/an/a 40n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal FLAg-tagged ATX lysophospholipase D activity expressed in baculovirus infected sf9 cells using FRET based ...


J Med Chem 60: 1309-1324 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01270
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50233155
PNG
(CHEMBL4080953)
Show SMILES CN1CCN(CC1)S(=O)(=O)c1cc(C(=O)Nc2cc(Cl)c(F)c(Cl)c2)c(Cl)cc1Cl
Show InChI InChI=1S/C18H16Cl4FN3O3S/c1-25-2-4-26(5-3-25)30(28,29)16-8-11(12(19)9-13(16)20)18(27)24-10-6-14(21)17(23)15(22)7-10/h6-9H,2-5H2,1H3,(H,24,27)
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n/an/a 56n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of ATX (unknown origin) expressed in human A2058 cells assessed as inhibition of LPC-induced cell invasion after 20 hrs by calcein-AM dye ...


J Med Chem 60: 1309-1324 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01270
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50233157
PNG
(CHEMBL4097500)
Show SMILES CN1CCN(CC1)S(=O)(=O)c1cc(C(=O)Nc2cc(F)c(F)c(F)c2)c(Cl)cc1Cl
Show InChI InChI=1S/C18H16Cl2F3N3O3S/c1-25-2-4-26(5-3-25)30(28,29)16-8-11(12(19)9-13(16)20)18(27)24-10-6-14(21)17(23)15(22)7-10/h6-9H,2-5H2,1H3,(H,24,27)
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n/an/a 67n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal FLAg-tagged ATX lysophospholipase D activity expressed in baculovirus infected sf9 cells using FRET based ...


J Med Chem 60: 1309-1324 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01270
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50233170
PNG
(CHEMBL4073772)
Show SMILES Fc1ccc(NC(=S)c2cc(c(Cl)cc2Cl)S(=O)(=O)N2CCOCC2)cc1F
Show InChI InChI=1S/C17H14Cl2F2N2O3S2/c18-12-9-13(19)16(28(24,25)23-3-5-26-6-4-23)8-11(12)17(27)22-10-1-2-14(20)15(21)7-10/h1-2,7-9H,3-6H2,(H,22,27)
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n/an/a 70n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal FLAg-tagged ATX lysophospholipase D activity expressed in baculovirus infected sf9 cells using FRET based ...


J Med Chem 60: 1309-1324 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01270
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50233169
PNG
(CHEMBL4082022)
Show SMILES Fc1cc(NC(=O)c2cc(c(Cl)cc2Cl)S(=O)(=O)N2CCOCC2)cc(F)c1Cl
Show InChI InChI=1S/C17H13Cl3F2N2O4S/c18-11-8-12(19)15(29(26,27)24-1-3-28-4-2-24)7-10(11)17(25)23-9-5-13(21)16(20)14(22)6-9/h5-8H,1-4H2,(H,23,25)
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n/an/a 84n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal FLAg-tagged ATX lysophospholipase D activity expressed in baculovirus infected sf9 cells using FRET based ...


J Med Chem 60: 1309-1324 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01270
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50233171
PNG
(CHEMBL4099620)
Show SMILES Fc1c(Cl)cc(NC(=S)c2cc(c(Cl)cc2Cl)S(=O)(=O)N2CCOCC2)cc1Cl
Show InChI InChI=1S/C17H13Cl4FN2O3S2/c18-11-8-12(19)15(29(25,26)24-1-3-27-4-2-24)7-10(11)17(28)23-9-5-13(20)16(22)14(21)6-9/h5-8H,1-4H2,(H,23,28)
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n/an/a 98n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal FLAg-tagged ATX lysophospholipase D activity expressed in baculovirus infected sf9 cells using FRET based ...


J Med Chem 60: 1309-1324 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01270
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50187686
PNG
(CHEMBL3828074 | US9670204, 2 2-((2-ethyl-6-(4-(2-(...)
Show SMILES CCc1nc2c(C)cc(cn2c1N(C)c1nc(c(s1)C#N)-c1ccc(F)cc1)N1CCN(CC(=O)N2CC(O)C2)CC1
Show InChI InChI=1S/C30H33FN8O2S/c1-4-24-29(35(3)30-34-27(25(14-32)42-30)20-5-7-21(31)8-6-20)39-15-22(13-19(2)28(39)33-24)37-11-9-36(10-12-37)18-26(41)38-16-23(40)17-38/h5-8,13,15,23,40H,4,9-12,16-18H2,1-3H3
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n/an/a 100n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of ATX (unknown origin)


J Med Chem 60: 1309-1324 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01270
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50233164
PNG
(CHEMBL4105201)
Show SMILES CN1CCN(CC1)S(=O)(=O)c1cc(C(=S)Nc2cc(Cl)c(F)c(Cl)c2)c(Cl)cc1Cl
Show InChI InChI=1S/C18H16Cl4FN3O2S2/c1-25-2-4-26(5-3-25)30(27,28)16-8-11(12(19)9-13(16)20)18(29)24-10-6-14(21)17(23)15(22)7-10/h6-9H,2-5H2,1H3,(H,24,29)
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n/an/a 100n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal FLAg-tagged ATX lysophospholipase D activity expressed in baculovirus infected sf9 cells using FRET based ...


J Med Chem 60: 1309-1324 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01270
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50187687
PNG
(CHEMBL3828733)
Show SMILES Fc1cccc(NC(=O)c2cc(c(Cl)cc2Cl)S(=O)(=O)N2CCOCC2)c1
Show InChI InChI=1S/C17H15Cl2FN2O4S/c18-14-10-15(19)16(27(24,25)22-4-6-26-7-5-22)9-13(14)17(23)21-12-3-1-2-11(20)8-12/h1-3,8-10H,4-7H2,(H,21,23)
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n/an/a 116n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of ATX (unknown origin)


J Med Chem 60: 1309-1324 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01270
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50187687
PNG
(CHEMBL3828733)
Show SMILES Fc1cccc(NC(=O)c2cc(c(Cl)cc2Cl)S(=O)(=O)N2CCOCC2)c1
Show InChI InChI=1S/C17H15Cl2FN2O4S/c18-14-10-15(19)16(27(24,25)22-4-6-26-7-5-22)9-13(14)17(23)21-12-3-1-2-11(20)8-12/h1-3,8-10H,4-7H2,(H,21,23)
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n/an/a 117n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal FLAg-tagged ATX lysophospholipase D activity expressed in baculovirus infected sf9 cells using FRET based ...


J Med Chem 60: 1309-1324 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01270
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50233163
PNG
(CHEMBL4102111)
Show SMILES Fc1cccc(NC(=S)c2cc(c(Cl)cc2Cl)S(=O)(=O)N2CCOCC2)c1
Show InChI InChI=1S/C17H15Cl2FN2O3S2/c18-14-10-15(19)16(27(23,24)22-4-6-25-7-5-22)9-13(14)17(26)21-12-3-1-2-11(20)8-12/h1-3,8-10H,4-7H2,(H,21,26)
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n/an/a 121n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal FLAg-tagged ATX lysophospholipase D activity expressed in baculovirus infected sf9 cells using FRET based ...


J Med Chem 60: 1309-1324 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01270
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50233160
PNG
(CHEMBL4071490)
Show SMILES Fc1cc(NC(=O)c2cc(c(Cl)cc2Cl)S(=O)(=O)N2CCOCC2)cc(F)c1C#N
Show InChI InChI=1S/C18H13Cl2F2N3O4S/c19-13-8-14(20)17(30(27,28)25-1-3-29-4-2-25)7-11(13)18(26)24-10-5-15(21)12(9-23)16(22)6-10/h5-8H,1-4H2,(H,24,26)
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n/an/a 190n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal FLAg-tagged ATX lysophospholipase D activity expressed in baculovirus infected sf9 cells using FRET based ...


J Med Chem 60: 1309-1324 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01270
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50233161
PNG
(CHEMBL4084129)
Show SMILES Fc1cc(NCc2cc(c(Cl)cc2Cl)S(=O)(=O)N2CCOCC2)cc(F)c1F
Show InChI InChI=1S/C17H15Cl2F3N2O3S/c18-12-8-13(19)16(28(25,26)24-1-3-27-4-2-24)5-10(12)9-23-11-6-14(20)17(22)15(21)7-11/h5-8,23H,1-4,9H2
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n/an/a 396n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal FLAg-tagged ATX lysophospholipase D activity expressed in baculovirus infected sf9 cells using FRET based ...


J Med Chem 60: 1309-1324 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01270
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50233173
PNG
(CHEMBL4094366)
Show SMILES Fc1cc(NC(=S)c2cc(c(Cl)cc2Cl)S(=O)(=O)N2CCOCC2)cc(F)c1F
Show InChI InChI=1S/C17H13Cl2F3N2O3S2/c18-11-8-12(19)15(29(25,26)24-1-3-27-4-2-24)7-10(11)17(28)23-9-5-13(20)16(22)14(21)6-9/h5-8H,1-4H2,(H,23,28)
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n/an/a 403n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of ATX (unknown origin) expressed in human A2058 cells assessed as inhibition of LPC-induced cell invasion after 20 hrs by calcein-AM dye ...


J Med Chem 60: 1309-1324 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01270
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50233154
PNG
(CHEMBL4096134)
Show SMILES Fc1ccc(NC(=O)c2cc(c(Cl)cc2Cl)S(=O)(=O)N2CCOCC2)cc1F
Show InChI InChI=1S/C17H14Cl2F2N2O4S/c18-12-9-13(19)16(28(25,26)23-3-5-27-6-4-23)8-11(12)17(24)22-10-1-2-14(20)15(21)7-10/h1-2,7-9H,3-6H2,(H,22,24)
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n/an/a 528n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of ATX (unknown origin) expressed in human A2058 cells assessed as inhibition of LPC-induced cell invasion after 20 hrs by calcein-AM dye ...


J Med Chem 60: 1309-1324 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01270
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50233169
PNG
(CHEMBL4082022)
Show SMILES Fc1cc(NC(=O)c2cc(c(Cl)cc2Cl)S(=O)(=O)N2CCOCC2)cc(F)c1Cl
Show InChI InChI=1S/C17H13Cl3F2N2O4S/c18-11-8-12(19)15(29(26,27)24-1-3-28-4-2-24)7-10(11)17(25)23-9-5-13(21)16(20)14(22)6-9/h5-8H,1-4H2,(H,23,25)
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PubMed
n/an/a 740n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of ATX (unknown origin) expressed in human A2058 cells assessed as inhibition of LPC-induced cell invasion after 20 hrs by calcein-AM dye ...


J Med Chem 60: 1309-1324 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01270
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50233188
PNG
(CHEMBL4098521)
Show SMILES COC(=O)c1c(F)cc(NC(=O)c2cc(c(Cl)cc2Cl)S(=O)(=O)N2CCOCC2)cc1F
Show InChI InChI=1S/C19H16Cl2F2N2O6S/c1-30-19(27)17-14(22)6-10(7-15(17)23)24-18(26)11-8-16(13(21)9-12(11)20)32(28,29)25-2-4-31-5-3-25/h6-9H,2-5H2,1H3,(H,24,26)
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n/an/a 864n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal FLAg-tagged ATX lysophospholipase D activity expressed in baculovirus infected sf9 cells using FRET based ...


J Med Chem 60: 1309-1324 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01270
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50233156
PNG
(CHEMBL4070321)
Show SMILES CS(=O)(=O)N(C(=O)c1cc(NN2CCOCC2)c(Cl)cc1Cl)c1cc(F)c(F)c(F)c1
Show InChI InChI=1S/C18H16Cl2F3N3O4S/c1-31(28,29)26(10-6-14(21)17(23)15(22)7-10)18(27)11-8-16(13(20)9-12(11)19)24-25-2-4-30-5-3-25/h6-9,24H,2-5H2,1H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal FLAg-tagged ATX lysophospholipase D activity expressed in baculovirus infected sf9 cells using FRET based ...


J Med Chem 60: 1309-1324 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01270
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50233184
PNG
(CHEMBL4064138)
Show SMILES Fc1cccc(NS(=O)(=O)c2cc(c(Cl)cc2Cl)S(=O)(=O)N2CCOCC2)c1
Show InChI InChI=1S/C16H15Cl2FN2O5S2/c17-13-9-14(18)16(28(24,25)21-4-6-26-7-5-21)10-15(13)27(22,23)20-12-3-1-2-11(19)8-12/h1-3,8-10,20H,4-7H2
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n/an/a>1.00E+3n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal FLAg-tagged ATX lysophospholipase D activity expressed in baculovirus infected sf9 cells using FRET based ...


J Med Chem 60: 1309-1324 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01270
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50233185
PNG
(CHEMBL4090985)
Show SMILES Fc1cc(NC(=O)c2cc(NN3CCOCC3)c(Cl)cc2Cl)cc(F)c1F
Show InChI InChI=1S/C17H14Cl2F3N3O2/c18-11-8-12(19)15(24-25-1-3-27-4-2-25)7-10(11)17(26)23-9-5-13(20)16(22)14(21)6-9/h5-8,24H,1-4H2,(H,23,26)
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n/an/a>1.00E+3n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal FLAg-tagged ATX lysophospholipase D activity expressed in baculovirus infected sf9 cells using FRET based ...


J Med Chem 60: 1309-1324 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01270
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50233172
PNG
(CHEMBL4093264)
Show SMILES CN(C(=O)c1cc(c(Cl)cc1Cl)S(=O)(=O)N1CCOCC1)c1cccc(F)c1
Show InChI InChI=1S/C18H17Cl2FN2O4S/c1-22(13-4-2-3-12(21)9-13)18(24)14-10-17(16(20)11-15(14)19)28(25,26)23-5-7-27-8-6-23/h2-4,9-11H,5-8H2,1H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal FLAg-tagged ATX lysophospholipase D activity expressed in baculovirus infected sf9 cells using FRET based ...


J Med Chem 60: 1309-1324 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01270
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50233176
PNG
(CHEMBL4068789)
Show SMILES Fc1cc2nc([nH]c2cc1F)-c1cc(c(Cl)cc1Cl)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C17H13Cl2F2N3O3S/c18-10-6-11(19)16(28(25,26)24-1-3-27-4-2-24)5-9(10)17-22-14-7-12(20)13(21)8-15(14)23-17/h5-8H,1-4H2,(H,22,23)
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n/an/a>1.00E+3n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal FLAg-tagged ATX lysophospholipase D activity expressed in baculovirus infected sf9 cells using FRET based ...


J Med Chem 60: 1309-1324 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01270
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50233162
PNG
(CHEMBL4089884)
Show SMILES Fc1cccc2nc(oc12)-c1cc(c(Cl)cc1Cl)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C17H13Cl2FN2O4S/c18-11-9-12(19)15(27(23,24)22-4-6-25-7-5-22)8-10(11)17-21-14-3-1-2-13(20)16(14)26-17/h1-3,8-9H,4-7H2
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n/an/a>1.00E+3n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal FLAg-tagged ATX lysophospholipase D activity expressed in baculovirus infected sf9 cells using FRET based ...


J Med Chem 60: 1309-1324 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01270
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50233158
PNG
(CHEMBL4097621)
Show SMILES COc1cc(Cl)c(cc1S(=O)(=O)N1CCOCC1)C(=O)Nc1cc(F)c(C(O)=O)c(F)c1
Show InChI InChI=1S/C19H17ClF2N2O7S/c1-30-15-9-12(20)11(8-16(15)32(28,29)24-2-4-31-5-3-24)18(25)23-10-6-13(21)17(19(26)27)14(22)7-10/h6-9H,2-5H2,1H3,(H,23,25)(H,26,27)
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n/an/a>1.00E+3n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal FLAg-tagged ATX lysophospholipase D activity expressed in baculovirus infected sf9 cells using FRET based ...


J Med Chem 60: 1309-1324 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01270
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50233183
PNG
(CHEMBL4091756)
Show SMILES COc1cc(NC(=O)c2cc(c(Cl)cc2Cl)S(=O)(=O)N2CCOCC2)cc(OC)c1OC
Show InChI InChI=1S/C20H22Cl2N2O7S/c1-28-16-8-12(9-17(29-2)19(16)30-3)23-20(25)13-10-18(15(22)11-14(13)21)32(26,27)24-4-6-31-7-5-24/h8-11H,4-7H2,1-3H3,(H,23,25)
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n/an/a>1.00E+3n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal FLAg-tagged ATX lysophospholipase D activity expressed in baculovirus infected sf9 cells using FRET based ...


J Med Chem 60: 1309-1324 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01270
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50233175
PNG
(CHEMBL4072530)
Show SMILES Fc1ccc(NCc2cc(c(Cl)cc2Cl)S(=O)(=O)N2CCOCC2)cc1F
Show InChI InChI=1S/C17H16Cl2F2N2O3S/c18-13-9-14(19)17(27(24,25)23-3-5-26-6-4-23)7-11(13)10-22-12-1-2-15(20)16(21)8-12/h1-2,7-9,22H,3-6,10H2
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n/an/a>1.00E+3n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal FLAg-tagged ATX lysophospholipase D activity expressed in baculovirus infected sf9 cells using FRET based ...


J Med Chem 60: 1309-1324 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01270
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50233177
PNG
(CHEMBL4070890)
Show SMILES Clc1cc(NC(=O)c2cc(c(Cl)cc2Cl)S(=O)(=O)N2CCOCC2)cc(Cl)c1Cl
Show InChI InChI=1S/C17H13Cl5N2O4S/c18-11-8-12(19)15(29(26,27)24-1-3-28-4-2-24)7-10(11)17(25)23-9-5-13(20)16(22)14(21)6-9/h5-8H,1-4H2,(H,23,25)
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n/an/a>1.00E+3n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal FLAg-tagged ATX lysophospholipase D activity expressed in baculovirus infected sf9 cells using FRET based ...


J Med Chem 60: 1309-1324 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01270
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50233167
PNG
(CHEMBL4091887)
Show SMILES Fc1cccc(c1)S(=O)(=O)N(c1cc(c(Cl)cc1Cl)S(=O)(=O)N1CCOCC1)S(=O)(=O)c1cccc(F)c1
Show InChI InChI=1S/C22H18Cl2F2N2O7S3/c23-19-13-20(24)22(38(33,34)27-7-9-35-10-8-27)14-21(19)28(36(29,30)17-5-1-3-15(25)11-17)37(31,32)18-6-2-4-16(26)12-18/h1-6,11-14H,7-10H2
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n/an/a>1.00E+3n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal FLAg-tagged ATX lysophospholipase D activity expressed in baculovirus infected sf9 cells using FRET based ...


J Med Chem 60: 1309-1324 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01270
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50233159
PNG
(CHEMBL4072723)
Show SMILES Fc1cccc(c1)S(=O)(=O)Nc1cc(c(Cl)cc1Cl)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C16H15Cl2FN2O5S2/c17-13-9-14(18)16(28(24,25)21-4-6-26-7-5-21)10-15(13)20-27(22,23)12-3-1-2-11(19)8-12/h1-3,8-10,20H,4-7H2
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n/an/a>1.00E+3n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal FLAg-tagged ATX lysophospholipase D activity expressed in baculovirus infected sf9 cells using FRET based ...


J Med Chem 60: 1309-1324 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01270
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50233186
PNG
(CHEMBL4070002)
Show SMILES Fc1cc(NS(=O)(=O)c2cc(c(Cl)cc2Cl)S(=O)(=O)N2CCOCC2)cc(F)c1F
Show InChI InChI=1S/C16H13Cl2F3N2O5S2/c17-10-7-11(18)15(30(26,27)23-1-3-28-4-2-23)8-14(10)29(24,25)22-9-5-12(19)16(21)13(20)6-9/h5-8,22H,1-4H2
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n/an/a>1.00E+3n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal FLAg-tagged ATX lysophospholipase D activity expressed in baculovirus infected sf9 cells using FRET based ...


J Med Chem 60: 1309-1324 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01270
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50233174
PNG
(CHEMBL4103892)
Show SMILES Fc1c(F)c(F)c(NC(=O)c2cc(c(Cl)cc2Cl)S(=O)(=O)N2CCOCC2)c(F)c1F
Show InChI InChI=1S/C17H11Cl2F5N2O4S/c18-8-6-9(19)10(31(28,29)26-1-3-30-4-2-26)5-7(8)17(27)25-16-14(23)12(21)11(20)13(22)15(16)24/h5-6H,1-4H2,(H,25,27)
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n/an/a 1.03E+3n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal FLAg-tagged ATX lysophospholipase D activity expressed in baculovirus infected sf9 cells using FRET based ...


J Med Chem 60: 1309-1324 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01270
More data for this
Ligand-Target Pair
Autotaxin


(Homo sapiens (Human))
BDBM50233168
PNG
(CHEMBL4085965)
Show SMILES Fc1cc(NC(=O)c2cc(c(Cl)cc2Cl)S(=O)(=O)N2CCOCC2)cc(F)c1F
Show InChI InChI=1S/C17H13Cl2F3N2O4S/c18-11-8-12(19)15(29(26,27)24-1-3-28-4-2-24)7-10(11)17(25)23-9-5-13(20)16(22)14(21)6-9/h5-8H,1-4H2,(H,23,25)
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n/an/a 1.48E+3n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of ATX (unknown origin) expressed in human A2058 cells assessed as inhibition of LPC-induced cell invasion after 20 hrs by calcein-AM dye ...


J Med Chem 60: 1309-1324 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01270
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM50233169
PNG
(CHEMBL4082022)
Show SMILES Fc1cc(NC(=O)c2cc(c(Cl)cc2Cl)S(=O)(=O)N2CCOCC2)cc(F)c1Cl
Show InChI InChI=1S/C17H13Cl3F2N2O4S/c18-11-8-12(19)15(29(26,27)24-1-3-28-4-2-24)7-10(11)17(25)23-9-5-13(21)16(20)14(22)6-9/h5-8H,1-4H2,(H,23,25)
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n/an/a 6.00E+3n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Antagonist activity at LPA1 receptor (unknown origin) expressed in rat RH7777 cells assessed as inhibition of LPA-induced intracellular calcium level...


J Med Chem 60: 1309-1324 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01270
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM50233168
PNG
(CHEMBL4085965)
Show SMILES Fc1cc(NC(=O)c2cc(c(Cl)cc2Cl)S(=O)(=O)N2CCOCC2)cc(F)c1F
Show InChI InChI=1S/C17H13Cl2F3N2O4S/c18-11-8-12(19)15(29(26,27)24-1-3-28-4-2-24)7-10(11)17(25)23-9-5-13(20)16(22)14(21)6-9/h5-8H,1-4H2,(H,23,25)
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n/an/a 1.40E+4n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Antagonist activity at LPA1 receptor (unknown origin) expressed in rat RH7777 cells assessed as inhibition of LPA-induced intracellular calcium level...


J Med Chem 60: 1309-1324 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01270
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM50233166
PNG
(CHEMBL4060128)
Show SMILES Fc1c(Cl)cc(NC(=O)c2cc(c(Cl)cc2Cl)S(=O)(=O)N2CCOCC2)cc1Cl
Show InChI InChI=1S/C17H13Cl4FN2O4S/c18-11-8-12(19)15(29(26,27)24-1-3-28-4-2-24)7-10(11)17(25)23-9-5-13(20)16(22)14(21)6-9/h5-8H,1-4H2,(H,23,25)
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n/an/a 1.80E+4n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Antagonist activity at LPA1 receptor (unknown origin) expressed in rat RH7777 cells assessed as inhibition of LPA-induced intracellular calcium level...


J Med Chem 60: 1309-1324 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01270
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 5 (LPA5)


(Homo sapiens (Human))
BDBM50233165
PNG
(CHEMBL1222042)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)OCC(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-
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n/an/an/an/a 140n/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Agonist activity at FLAG-tagged LPA5 receptor (unknown origin) expressed in rat B103 cells assessed as increase in intracellular calcium level measur...


J Med Chem 60: 1309-1324 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01270
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor Edg-4


(Homo sapiens (Human))
BDBM50233165
PNG
(CHEMBL1222042)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)OCC(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-
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n/an/an/an/a 3n/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Agonist activity at LPA2 receptor (unknown origin) expressed in MEF cells assessed as increase in intracellular calcium level measured every 3.42 sec...


J Med Chem 60: 1309-1324 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01270
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 4


(Homo sapiens (Human))
BDBM50233165
PNG
(CHEMBL1222042)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)OCC(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-
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n/an/an/an/a 570n/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Agonist activity at LPA4 receptor (unknown origin) expressed in CHO cells assessed as increase in intracellular calcium level measured every 3.42 sec...


J Med Chem 60: 1309-1324 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01270
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM50233165
PNG
(CHEMBL1222042)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)OCC(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-
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 80n/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Agonist activity at LPA1 receptor (unknown origin) expressed in rat RH7777 cells assessed as increase in intracellular calcium level measured every 3...


J Med Chem 60: 1309-1324 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01270
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1/3


(Homo sapiens (Human))
BDBM50233165
PNG
(CHEMBL1222042)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)OCC(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-
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 290n/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Agonist activity at LPA3 receptor (unknown origin) expressed in rat RH7777 cells assessed as increase in intracellular calcium level measured every 3...


J Med Chem 60: 1309-1324 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01270
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%