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Compile Data Set for Download or QSAR

Found 59 hits with Last Name = 'tigyi' and Initial = 'gj'   
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
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50233168
PNG
(CHEMBL4085965 | US11124490, Compound 11)
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 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
BindingDB Entry DOI: 10.7270/Q2K64MBD
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(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
BindingDB Entry DOI: 10.7270/Q2K64MBD
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50233154
PNG
(CHEMBL4096134 | US11124490, Compound 10)
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
BindingDB Entry DOI: 10.7270/Q2K64MBD
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50233173
PNG
(CHEMBL4094366 | US11124490, Compound 14)
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
BindingDB Entry DOI: 10.7270/Q2K64MBD
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50233166
PNG
(CHEMBL4060128 | US11124490, Compound 3g)
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
BindingDB Entry DOI: 10.7270/Q2K64MBD
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50233155
PNG
(CHEMBL4080953 | US11124490, Compound 28b)
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
BindingDB Entry DOI: 10.7270/Q2K64MBD
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50233157
PNG
(CHEMBL4097500 | US11124490, Compound 28a)
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
BindingDB Entry DOI: 10.7270/Q2K64MBD
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50233170
PNG
(CHEMBL4073772 | US11124490, Compound 13)
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
BindingDB Entry DOI: 10.7270/Q2K64MBD
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50233169
PNG
(CHEMBL4082022 | US11124490, Compound 3f)
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
BindingDB Entry DOI: 10.7270/Q2K64MBD
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50233171
PNG
(CHEMBL4099620 | US11124490, Compound 15)
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
BindingDB Entry DOI: 10.7270/Q2K64MBD
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50233164
PNG
(CHEMBL4105201 | US11124490, Compound 29)
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
BindingDB Entry DOI: 10.7270/Q2K64MBD
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50187686
PNG
(CHEMBL3828074 | US10526329, Compound 2 | US1107261...)
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
BindingDB Entry DOI: 10.7270/Q2K64MBD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50187687
PNG
(CHEMBL3828733 | US11124490, Compound 918013)
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
BindingDB Entry DOI: 10.7270/Q2K64MBD
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50187687
PNG
(CHEMBL3828733 | US11124490, Compound 918013)
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
BindingDB Entry DOI: 10.7270/Q2K64MBD
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50233163
PNG
(CHEMBL4102111 | US11124490, Compound 12)
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
BindingDB Entry DOI: 10.7270/Q2K64MBD
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50233160
PNG
(CHEMBL4071490 | US11124490, Compound 3h)
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
BindingDB Entry DOI: 10.7270/Q2K64MBD
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(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
BindingDB Entry DOI: 10.7270/Q2K64MBD
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50233173
PNG
(CHEMBL4094366 | US11124490, Compound 14)
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
BindingDB Entry DOI: 10.7270/Q2K64MBD
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50233154
PNG
(CHEMBL4096134 | US11124490, Compound 10)
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
BindingDB Entry DOI: 10.7270/Q2K64MBD
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50233169
PNG
(CHEMBL4082022 | US11124490, Compound 3f)
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 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
BindingDB Entry DOI: 10.7270/Q2K64MBD
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50233188
PNG
(CHEMBL4098521 | US11124490, Compound 3i)
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
BindingDB Entry DOI: 10.7270/Q2K64MBD
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50233186
PNG
(CHEMBL4070002 | US11124490, Compound 23)
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
BindingDB Entry DOI: 10.7270/Q2K64MBD
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50233156
PNG
(CHEMBL4070321 | US11124490, Compound 26a)
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
BindingDB Entry DOI: 10.7270/Q2K64MBD
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(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
BindingDB Entry DOI: 10.7270/Q2K64MBD
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50233167
PNG
(CHEMBL4091887 | US11124490, Compound 20)
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
BindingDB Entry DOI: 10.7270/Q2K64MBD
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(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
BindingDB Entry DOI: 10.7270/Q2K64MBD
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50233159
PNG
(CHEMBL4072723 | US11124490, Compound 19)
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
BindingDB Entry DOI: 10.7270/Q2K64MBD
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(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
BindingDB Entry DOI: 10.7270/Q2K64MBD
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50233184
PNG
(CHEMBL4064138 | US11124490, Compound 22)
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
BindingDB Entry DOI: 10.7270/Q2K64MBD
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(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
BindingDB Entry DOI: 10.7270/Q2K64MBD
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50233185
PNG
(CHEMBL4090985 | US11124490, Compound 25)
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
BindingDB Entry DOI: 10.7270/Q2K64MBD
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50233183
PNG
(CHEMBL4091756 | US11124490, Compound 3e)
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
BindingDB Entry DOI: 10.7270/Q2K64MBD
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50233177
PNG
(CHEMBL4070890 | US11124490, Compound 3d)
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
BindingDB Entry DOI: 10.7270/Q2K64MBD
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(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
BindingDB Entry DOI: 10.7270/Q2K64MBD
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(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
BindingDB Entry DOI: 10.7270/Q2K64MBD
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50233168
PNG
(CHEMBL4085965 | US11124490, Compound 11)
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
BindingDB Entry DOI: 10.7270/Q2K64MBD
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM50233169
PNG
(CHEMBL4082022 | US11124490, Compound 3f)
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
BindingDB Entry DOI: 10.7270/Q2K64MBD
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 3


(Homo sapiens (Human))
BDBM50056345
PNG
(CHEMBL3322500)
Show SMILES OC(=O)c1ccccc1SCCCN1C(=O)c2cccc3cccc(C1=O)c23
Show InChI InChI=1S/C22H17NO4S/c24-20-16-9-3-6-14-7-4-10-17(19(14)16)21(25)23(20)12-5-13-28-18-11-2-1-8-15(18)22(26)27/h1-4,6-11H,5,12-13H2,(H,26,27)
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n/an/a 6.60E+3n/an/an/an/an/an/a



The University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Antagonist activity at human LPA3 expressed in LPA1xLPA2 double knockout mouse MEF cells assessed as reduction in LP18:1-induced calcium mobilization...


J Med Chem 57: 7136-40 (2014)


Article DOI: 10.1021/jm5007116
BindingDB Entry DOI: 10.7270/Q22V2HS4
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM50233168
PNG
(CHEMBL4085965 | US11124490, Compound 11)
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
BindingDB Entry DOI: 10.7270/Q2K64MBD
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM50233166
PNG
(CHEMBL4060128 | US11124490, Compound 3g)
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
BindingDB Entry DOI: 10.7270/Q2K64MBD
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(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/an/an/a 350n/an/an/an/a



The University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Agonist activity at human LPA1 expressed in LPA1xLPA2 double knockout mouse MEF cells up to 10 uM by Fura-2AM dye based Ca2+ mobilization assay


J Med Chem 57: 7136-40 (2014)


Article DOI: 10.1021/jm5007116
BindingDB Entry DOI: 10.7270/Q22V2HS4
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-
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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
BindingDB Entry DOI: 10.7270/Q2K64MBD
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 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-
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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
BindingDB Entry DOI: 10.7270/Q2K64MBD
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 2


(Homo sapiens (Human))
BDBM50056346
PNG
(CHEMBL3322501)
Show SMILES OC(=O)c1ccccc1S(=O)(=O)NCCCN1C(=O)c2cccc3cccc(C1=O)c23
Show InChI InChI=1S/C22H18N2O6S/c25-20-16-9-3-6-14-7-4-10-17(19(14)16)21(26)24(20)13-5-12-23-31(29,30)18-11-2-1-8-15(18)22(27)28/h1-4,6-11,23H,5,12-13H2,(H,27,28)
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n/an/an/an/a 2.16E+3n/an/an/an/a



The University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Agonist activity at human LPA2 expressed in LPA1xLPA2 double knockout mouse MEF cells by Fura-2AM dye based Ca2+ mobilization assay


J Med Chem 57: 7136-40 (2014)


Article DOI: 10.1021/jm5007116
BindingDB Entry DOI: 10.7270/Q22V2HS4
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 2


(Homo sapiens (Human))
BDBM50056343
PNG
(CHEMBL3322513)
Show SMILES OC(=O)c1cc(F)ccc1S(=O)(=O)NCCCCN1C(=O)c2cccc3cccc(C1=O)c23
Show InChI InChI=1S/C23H19FN2O6S/c24-15-9-10-19(18(13-15)23(29)30)33(31,32)25-11-1-2-12-26-21(27)16-7-3-5-14-6-4-8-17(20(14)16)22(26)28/h3-10,13,25H,1-2,11-12H2,(H,29,30)
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n/an/an/an/a 0.150n/an/an/an/a



The University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Agonist activity at human LPA2 expressed in LPA1xLPA2 double knockout mouse MEF cells by Fura-2AM dye based Ca2+ mobilization assay


J Med Chem 57: 7136-40 (2014)


Article DOI: 10.1021/jm5007116
BindingDB Entry DOI: 10.7270/Q22V2HS4
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 2


(Homo sapiens (Human))
BDBM50056347
PNG
(CHEMBL3322502)
Show SMILES OC(=O)c1ccccc1S(=O)(=O)NCCCCN1C(=O)c2cccc3cccc(C1=O)c23
Show InChI InChI=1S/C23H20N2O6S/c26-21-17-10-5-7-15-8-6-11-18(20(15)17)22(27)25(21)14-4-3-13-24-32(30,31)19-12-2-1-9-16(19)23(28)29/h1-2,5-12,24H,3-4,13-14H2,(H,28,29)
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n/an/an/an/a 110n/an/an/an/a



The University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Agonist activity at human LPA2 expressed in LPA1xLPA2 double knockout mouse MEF cells by Fura-2AM dye based Ca2+ mobilization assay


J Med Chem 57: 7136-40 (2014)


Article DOI: 10.1021/jm5007116
BindingDB Entry DOI: 10.7270/Q22V2HS4
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 2


(Homo sapiens (Human))
BDBM50056344
PNG
(CHEMBL3322514)
Show SMILES OC(=O)c1cc(Cl)ccc1S(=O)(=O)NCCCCN1C(=O)c2cccc3cccc(C1=O)c23
Show InChI InChI=1S/C23H19ClN2O6S/c24-15-9-10-19(18(13-15)23(29)30)33(31,32)25-11-1-2-12-26-21(27)16-7-3-5-14-6-4-8-17(20(14)16)22(26)28/h3-10,13,25H,1-2,11-12H2,(H,29,30)
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n/an/an/an/a 0.00500n/an/an/an/a



The University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Agonist activity at human LPA2 expressed in LPA1xLPA2 double knockout mouse MEF cells by Fura-2AM dye based Ca2+ mobilization assay


J Med Chem 57: 7136-40 (2014)


Article DOI: 10.1021/jm5007116
BindingDB Entry DOI: 10.7270/Q22V2HS4
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 2


(Homo sapiens (Human))
BDBM50056348
PNG
(CHEMBL3322503)
Show SMILES OC(=O)c1ccccc1S(=O)(=O)NCCCCCN1C(=O)c2cccc3cccc(C1=O)c23
Show InChI InChI=1S/C24H22N2O6S/c27-22-18-11-6-8-16-9-7-12-19(21(16)18)23(28)26(22)15-5-1-4-14-25-33(31,32)20-13-3-2-10-17(20)24(29)30/h2-3,6-13,25H,1,4-5,14-15H2,(H,29,30)
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n/an/an/an/a 1.42E+3n/an/an/an/a



The University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Agonist activity at human LPA2 expressed in LPA1xLPA2 double knockout mouse MEF cells by Fura-2AM dye based Ca2+ mobilization assay


J Med Chem 57: 7136-40 (2014)


Article DOI: 10.1021/jm5007116
BindingDB Entry DOI: 10.7270/Q22V2HS4
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 2


(Homo sapiens (Human))
BDBM50056349
PNG
(CHEMBL3322507)
Show SMILES OC(=O)c1ccc(Br)cc1S(=O)(=O)NCCCCN1C(=O)c2cccc3cccc(C1=O)c23
Show InChI InChI=1S/C23H19BrN2O6S/c24-15-9-10-16(23(29)30)19(13-15)33(31,32)25-11-1-2-12-26-21(27)17-7-3-5-14-6-4-8-18(20(14)17)22(26)28/h3-10,13,25H,1-2,11-12H2,(H,29,30)
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n/an/an/an/a 50n/an/an/an/a



The University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Agonist activity at human LPA2 expressed in LPA1xLPA2 double knockout mouse MEF cells by Fura-2AM dye based Ca2+ mobilization assay


J Med Chem 57: 7136-40 (2014)


Article DOI: 10.1021/jm5007116
BindingDB Entry DOI: 10.7270/Q22V2HS4
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 2


(Homo sapiens (Human))
BDBM50056350
PNG
(CHEMBL3322508)
Show SMILES OC(=O)c1cc(Br)ccc1S(=O)(=O)NCCCCN1C(=O)c2cccc3cccc(C1=O)c23
Show InChI InChI=1S/C23H19BrN2O6S/c24-15-9-10-19(18(13-15)23(29)30)33(31,32)25-11-1-2-12-26-21(27)16-7-3-5-14-6-4-8-17(20(14)16)22(26)28/h3-10,13,25H,1-2,11-12H2,(H,29,30)
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n/an/an/an/a 60n/an/an/an/a



The University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Agonist activity at human LPA2 expressed in LPA1xLPA2 double knockout mouse MEF cells by Fura-2AM dye based Ca2+ mobilization assay


J Med Chem 57: 7136-40 (2014)


Article DOI: 10.1021/jm5007116
BindingDB Entry DOI: 10.7270/Q22V2HS4
More data for this
Ligand-Target Pair
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