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Compile Data Set for Download or QSAR

Found 117 hits with Last Name = 'van meeteren' and Initial = 'la'   
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
Lysophosphatidic acid receptor 3


(Homo sapiens (Human))
BDBM50170852
PNG
(CHEMBL187402 | Thiophosphoric acid (E)-tetradec-9-...)
Show SMILES CCCC\C=C\CCCCCCCCOP(O)(O)=S
Show InChI InChI=1S/C14H29O3PS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-18(15,16)19/h5-6H,2-4,7-14H2,1H3,(H2,15,16,19)/b6-5+
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14n/an/an/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Binding affinity for Lysophosphatidic acid receptor 3 expressed in RH7777 rat hepatoma cells


J Med Chem 48: 4919-30 (2005)


Article DOI: 10.1021/jm049609r
BindingDB Entry DOI: 10.7270/Q2HD7V5N
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 3


(Homo sapiens (Human))
BDBM50170860
PNG
(CHEMBL191365 | Thiophosphoric acid dodecyl ester)
Show SMILES CCCCCCCCCCCCOP(O)(O)=S
Show InChI InChI=1S/C12H27O3PS/c1-2-3-4-5-6-7-8-9-10-11-12-15-16(13,14)17/h2-12H2,1H3,(H2,13,14,17)
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14n/an/an/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Binding affinity for Lysophosphatidic acid receptor 3 expressed in RH7777 rat hepatoma cells


J Med Chem 48: 4919-30 (2005)


Article DOI: 10.1021/jm049609r
BindingDB Entry DOI: 10.7270/Q2HD7V5N
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 3


(Homo sapiens (Human))
BDBM50170847
PNG
(CHEMBL190484 | Thiophosphoric acid (E)-dodec-9-eny...)
Show SMILES CC\C=C\CCCCCCCCOP(O)(O)=S
Show InChI InChI=1S/C12H25O3PS/c1-2-3-4-5-6-7-8-9-10-11-12-15-16(13,14)17/h3-4H,2,5-12H2,1H3,(H2,13,14,17)/b4-3+
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14n/an/an/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Binding affinity for Lysophosphatidic acid receptor 3 expressed in RH7777 rat hepatoma cells


J Med Chem 48: 4919-30 (2005)


Article DOI: 10.1021/jm049609r
BindingDB Entry DOI: 10.7270/Q2HD7V5N
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 3


(Homo sapiens (Human))
BDBM50170858
PNG
(CHEMBL190349 | Phosphoric acid mono-((E)-dodec-9-e...)
Show SMILES CC\C=C\CCCCCCCCOP(O)(O)=O
Show InChI InChI=1S/C12H25O4P/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15/h3-4H,2,5-12H2,1H3,(H2,13,14,15)/b4-3+
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27n/an/an/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Binding affinity for Lysophosphatidic acid receptor 3 expressed in RH7777 rat hepatoma cells


J Med Chem 48: 4919-30 (2005)


Article DOI: 10.1021/jm049609r
BindingDB Entry DOI: 10.7270/Q2HD7V5N
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 3


(Homo sapiens (Human))
BDBM50170851
PNG
(CHEMBL188591 | Phosphoric acid mono-((E)-tetradec-...)
Show SMILES CC\C=C\CCCCCCCCCCOP(O)(O)=O
Show InChI InChI=1S/C14H29O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17/h3-4H,2,5-14H2,1H3,(H2,15,16,17)/b4-3+
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40n/an/an/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Binding affinity for Lysophosphatidic acid receptor 3 expressed in RH7777 rat hepatoma cells


J Med Chem 48: 4919-30 (2005)


Article DOI: 10.1021/jm049609r
BindingDB Entry DOI: 10.7270/Q2HD7V5N
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 3


(Homo sapiens (Human))
BDBM50170857
PNG
(CHEMBL187795 | Thiophosphoric acid decyl ester)
Show SMILES CCCCCCCCCCOP(O)(O)=S
Show InChI InChI=1S/C10H23O3PS/c1-2-3-4-5-6-7-8-9-10-13-14(11,12)15/h2-10H2,1H3,(H2,11,12,15)
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49n/an/an/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Binding affinity for Lysophosphatidic acid receptor 3 expressed in RH7777 rat hepatoma cells


J Med Chem 48: 4919-30 (2005)


Article DOI: 10.1021/jm049609r
BindingDB Entry DOI: 10.7270/Q2HD7V5N
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 3


(Homo sapiens (Human))
BDBM50170843
PNG
(CHEMBL190430 | Phosphoric acid mono-((E)-tetradec-...)
Show SMILES CCCC\C=C\CCCCCCCCOP(O)(O)=O
Show InChI InChI=1S/C14H29O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17/h5-6H,2-4,7-14H2,1H3,(H2,15,16,17)/b6-5+
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58n/an/an/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Binding affinity for Lysophosphatidic acid receptor 3 expressed in RH7777 rat hepatoma cells


J Med Chem 48: 4919-30 (2005)


Article DOI: 10.1021/jm049609r
BindingDB Entry DOI: 10.7270/Q2HD7V5N
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 3


(Homo sapiens (Human))
BDBM50170849
PNG
(CHEMBL189296 | Thiophosphoric acid tetradecyl este...)
Show SMILES CCCCCCCCCCCCCCOP(O)(O)=S
Show InChI InChI=1S/C14H31O3PS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-18(15,16)19/h2-14H2,1H3,(H2,15,16,19)
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76n/an/an/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Binding affinity for Lysophosphatidic acid receptor 3 expressed in RH7777 rat hepatoma cells


J Med Chem 48: 4919-30 (2005)


Article DOI: 10.1021/jm049609r
BindingDB Entry DOI: 10.7270/Q2HD7V5N
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 3


(Homo sapiens (Human))
BDBM50170850
PNG
(CHEMBL361255 | Phosphoric acid monodecyl ester)
Show SMILES CCCCCCCCCCOP(O)(O)=O
Show InChI InChI=1S/C10H23O4P/c1-2-3-4-5-6-7-8-9-10-14-15(11,12)13/h2-10H2,1H3,(H2,11,12,13)
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121n/an/an/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Binding affinity for Lysophosphatidic acid receptor 3 expressed in RH7777 rat hepatoma cells


J Med Chem 48: 4919-30 (2005)


Article DOI: 10.1021/jm049609r
BindingDB Entry DOI: 10.7270/Q2HD7V5N
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 3


(Homo sapiens (Human))
BDBM50170854
PNG
(CHEMBL187711 | Phosphoric acid monododecyl ester)
Show SMILES CCCCCCCCCCCCOP(O)(O)=O
Show InChI InChI=1S/C12H27O4P/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15/h2-12H2,1H3,(H2,13,14,15)
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121n/an/an/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Binding affinity for Lysophosphatidic acid receptor 3 expressed in RH7777 rat hepatoma cells


J Med Chem 48: 4919-30 (2005)


Article DOI: 10.1021/jm049609r
BindingDB Entry DOI: 10.7270/Q2HD7V5N
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 3


(Homo sapiens (Human))
BDBM50170855
PNG
(CHEMBL363935 | Thiophosphoric acid dec-9-enyl este...)
Show SMILES OP(O)(=S)OCCCCCCCCC=C
Show InChI InChI=1S/C10H21O3PS/c1-2-3-4-5-6-7-8-9-10-13-14(11,12)15/h2H,1,3-10H2,(H2,11,12,15)
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128n/an/an/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Binding affinity for Lysophosphatidic acid receptor 3 expressed in RH7777 rat hepatoma cells


J Med Chem 48: 4919-30 (2005)


Article DOI: 10.1021/jm049609r
BindingDB Entry DOI: 10.7270/Q2HD7V5N
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 3


(Homo sapiens (Human))
BDBM50170859
PNG
(3-(4-(4-((1-(2-chlorophenyl)ethoxy)carbonyl)-3-met...)
Show SMILES CC(OC(=O)Nc1c(C)noc1-c1ccc(CSCCC(O)=O)cc1)c1ccccc1Cl
Show InChI InChI=1S/C23H23ClN2O5S/c1-14-21(25-23(29)30-15(2)18-5-3-4-6-19(18)24)22(31-26-14)17-9-7-16(8-10-17)13-32-12-11-20(27)28/h3-10,15H,11-13H2,1-2H3,(H,25,29)(H,27,28)
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148n/an/an/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Binding affinity for Lysophosphatidic acid receptor 3 expressed in RH7777 rat hepatoma cells


J Med Chem 48: 4919-30 (2005)


Article DOI: 10.1021/jm049609r
BindingDB Entry DOI: 10.7270/Q2HD7V5N
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 3


(Homo sapiens (Human))
BDBM50170862
PNG
(CHEMBL191055 | Octanoic acid (S)-1-methyl-2-octano...)
Show SMILES CCCCCCCC(=O)OC[C@H](COP(O)(=O)OP(O)(O)=O)OC(=O)CCCCCCC
Show InChI InChI=1S/C19H38O11P2/c1-3-5-7-9-11-13-18(20)27-15-17(16-28-32(25,26)30-31(22,23)24)29-19(21)14-12-10-8-6-4-2/h17H,3-16H2,1-2H3,(H,25,26)(H2,22,23,24)/t17-/m1/s1
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202n/an/an/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Binding affinity for Lysophosphatidic acid receptor 3 expressed in RH7777 rat hepatoma cells


J Med Chem 48: 4919-30 (2005)


Article DOI: 10.1021/jm049609r
BindingDB Entry DOI: 10.7270/Q2HD7V5N
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 3


(Homo sapiens (Human))
BDBM50170842
PNG
(CHEMBL187633 | Phosphoric acid monotetradecyl este...)
Show SMILES CCCCCCCCCCCCCCOP(O)(O)=O
Show InChI InChI=1S/C14H31O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17/h2-14H2,1H3,(H2,15,16,17)
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211n/an/an/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Binding affinity for Lysophosphatidic acid receptor 3 expressed in RH7777 rat hepatoma cells


J Med Chem 48: 4919-30 (2005)


Article DOI: 10.1021/jm049609r
BindingDB Entry DOI: 10.7270/Q2HD7V5N
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 3


(Homo sapiens (Human))
BDBM50170845
PNG
(CHEMBL363067 | Dodecyl-phosphonic acid)
Show SMILES CCCCCCCCCCCCP(O)(O)=O
Show InChI InChI=1S/C12H27O3P/c1-2-3-4-5-6-7-8-9-10-11-12-16(13,14)15/h2-12H2,1H3,(H2,13,14,15)
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303n/an/an/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Binding affinity for Lysophosphatidic acid receptor 3 expressed in RH7777 rat hepatoma cells


J Med Chem 48: 4919-30 (2005)


Article DOI: 10.1021/jm049609r
BindingDB Entry DOI: 10.7270/Q2HD7V5N
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 3


(Homo sapiens (Human))
BDBM50170856
PNG
(CHEMBL188081 | Phosphoric acid mono-((E)-dec-4-eny...)
Show SMILES CCCCC\C=C\CCCOP(O)(O)=O
Show InChI InChI=1S/C10H21O4P/c1-2-3-4-5-6-7-8-9-10-14-15(11,12)13/h6-7H,2-5,8-10H2,1H3,(H2,11,12,13)/b7-6+
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370n/an/an/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Binding affinity for Lysophosphatidic acid receptor 3 expressed in RH7777 rat hepatoma cells


J Med Chem 48: 4919-30 (2005)


Article DOI: 10.1021/jm049609r
BindingDB Entry DOI: 10.7270/Q2HD7V5N
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM50170859
PNG
(3-(4-(4-((1-(2-chlorophenyl)ethoxy)carbonyl)-3-met...)
Show SMILES CC(OC(=O)Nc1c(C)noc1-c1ccc(CSCCC(O)=O)cc1)c1ccccc1Cl
Show InChI InChI=1S/C23H23ClN2O5S/c1-14-21(25-23(29)30-15(2)18-5-3-4-6-19(18)24)22(31-26-14)17-9-7-16(8-10-17)13-32-12-11-20(27)28/h3-10,15H,11-13H2,1-2H3,(H,25,29)(H,27,28)
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425n/an/an/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Binding affinity for Lysophosphatidic acid receptor 1 expressed in RH7777 rat hepatoma cells


J Med Chem 48: 4919-30 (2005)


Article DOI: 10.1021/jm049609r
BindingDB Entry DOI: 10.7270/Q2HD7V5N
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM50170851
PNG
(CHEMBL188591 | Phosphoric acid mono-((E)-tetradec-...)
Show SMILES CC\C=C\CCCCCCCCCCOP(O)(O)=O
Show InChI InChI=1S/C14H29O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17/h3-4H,2,5-14H2,1H3,(H2,15,16,17)/b4-3+
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457n/an/an/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Binding affinity for Lysophosphatidic acid receptor 1 expressed in RH7777 rat hepatoma cells


J Med Chem 48: 4919-30 (2005)


Article DOI: 10.1021/jm049609r
BindingDB Entry DOI: 10.7270/Q2HD7V5N
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 3


(Homo sapiens (Human))
BDBM50170863
PNG
(CHEMBL363776 | Phosphoric acid monodec-9-enyl este...)
Show SMILES OP(O)(=O)OCCCCCCCCC=C
Show InChI InChI=1S/C10H21O4P/c1-2-3-4-5-6-7-8-9-10-14-15(11,12)13/h2H,1,3-10H2,(H2,11,12,13)
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504n/an/an/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Binding affinity for Lysophosphatidic acid receptor 3 expressed in RH7777 rat hepatoma cells


J Med Chem 48: 4919-30 (2005)


Article DOI: 10.1021/jm049609r
BindingDB Entry DOI: 10.7270/Q2HD7V5N
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 3


(Homo sapiens (Human))
BDBM50170861
PNG
((1,1-Difluoro-pentadecyl)-phosphonic acid | CHEMBL...)
Show SMILES CCCCCCCCCCCCCCC(F)(F)P(O)(O)=O
Show InChI InChI=1S/C15H31F2O3P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16,17)21(18,19)20/h2-14H2,1H3,(H2,18,19,20)
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575n/an/an/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Binding affinity for Lysophosphatidic acid receptor 3 expressed in RH7777 rat hepatoma cells


J Med Chem 48: 4919-30 (2005)


Article DOI: 10.1021/jm049609r
BindingDB Entry DOI: 10.7270/Q2HD7V5N
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 3


(Homo sapiens (Human))
BDBM50170841
PNG
(CHEMBL191411 | Phosphoric acid mono-[(S)-3-(4-benz...)
Show SMILES CCCCCCCCCCCCCCCCCC(=O)N[C@H](COP(O)(O)=O)Cc1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C34H54NO6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-34(36)35-32(29-41-42(37,38)39)27-30-23-25-33(26-24-30)40-28-31-20-17-16-18-21-31/h16-18,20-21,23-26,32H,2-15,19,22,27-29H2,1H3,(H,35,36)(H2,37,38,39)/t32-/m0/s1
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588n/an/an/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Binding affinity for Lysophosphatidic acid receptor 3 expressed in RH7777 rat hepatoma cells


J Med Chem 48: 4919-30 (2005)


Article DOI: 10.1021/jm049609r
BindingDB Entry DOI: 10.7270/Q2HD7V5N
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 3


(Homo sapiens (Human))
BDBM50170853
PNG
(CHEMBL188083 | Decyl-phosphonic acid)
Show SMILES CCCCCCCCCCP(O)(O)=O
Show InChI InChI=1S/C10H23O3P/c1-2-3-4-5-6-7-8-9-10-14(11,12)13/h2-10H2,1H3,(H2,11,12,13)
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680n/an/an/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Binding affinity for Lysophosphatidic acid receptor 3 expressed in RH7777 rat hepatoma cells


J Med Chem 48: 4919-30 (2005)


Article DOI: 10.1021/jm049609r
BindingDB Entry DOI: 10.7270/Q2HD7V5N
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM50170861
PNG
((1,1-Difluoro-pentadecyl)-phosphonic acid | CHEMBL...)
Show SMILES CCCCCCCCCCCCCCC(F)(F)P(O)(O)=O
Show InChI InChI=1S/C15H31F2O3P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16,17)21(18,19)20/h2-14H2,1H3,(H2,18,19,20)
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788n/an/an/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Binding affinity for Lysophosphatidic acid receptor 1 expressed in RH7777 rat hepatoma cells


J Med Chem 48: 4919-30 (2005)


Article DOI: 10.1021/jm049609r
BindingDB Entry DOI: 10.7270/Q2HD7V5N
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM50170842
PNG
(CHEMBL187633 | Phosphoric acid monotetradecyl este...)
Show SMILES CCCCCCCCCCCCCCOP(O)(O)=O
Show InChI InChI=1S/C14H31O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17/h2-14H2,1H3,(H2,15,16,17)
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1.08E+3n/an/an/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Binding affinity for Lysophosphatidic acid receptor 1 expressed in RH7777 rat hepatoma cells


J Med Chem 48: 4919-30 (2005)


Article DOI: 10.1021/jm049609r
BindingDB Entry DOI: 10.7270/Q2HD7V5N
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 3


(Homo sapiens (Human))
BDBM50170846
PNG
(CHEMBL190999 | Tetradecyl-phosphonic acid)
Show SMILES CCCCCCCCCCCCCCP(O)(O)=O
Show InChI InChI=1S/C14H31O3P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18(15,16)17/h2-14H2,1H3,(H2,15,16,17)
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1.12E+3n/an/an/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Binding affinity for Lysophosphatidic acid receptor 3 expressed in RH7777 rat hepatoma cells


J Med Chem 48: 4919-30 (2005)


Article DOI: 10.1021/jm049609r
BindingDB Entry DOI: 10.7270/Q2HD7V5N
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM50170843
PNG
(CHEMBL190430 | Phosphoric acid mono-((E)-tetradec-...)
Show SMILES CCCC\C=C\CCCCCCCCOP(O)(O)=O
Show InChI InChI=1S/C14H29O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17/h5-6H,2-4,7-14H2,1H3,(H2,15,16,17)/b6-5+
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1.15E+3n/an/an/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Binding affinity for Lysophosphatidic acid receptor 1 expressed in RH7777 rat hepatoma cells


J Med Chem 48: 4919-30 (2005)


Article DOI: 10.1021/jm049609r
BindingDB Entry DOI: 10.7270/Q2HD7V5N
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM50170854
PNG
(CHEMBL187711 | Phosphoric acid monododecyl ester)
Show SMILES CCCCCCCCCCCCOP(O)(O)=O
Show InChI InChI=1S/C12H27O4P/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15/h2-12H2,1H3,(H2,13,14,15)
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1.35E+3n/an/an/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Binding affinity for Lysophosphatidic acid receptor 1 expressed in RH7777 rat hepatoma cells


J Med Chem 48: 4919-30 (2005)


Article DOI: 10.1021/jm049609r
BindingDB Entry DOI: 10.7270/Q2HD7V5N
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 3


(Homo sapiens (Human))
BDBM50170840
PNG
(2-Hexadecanoylamino-3-(4-phosphonooxy-phenyl)-prop...)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(O)=O
Show InChI InChI=1S/C25H42NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24(27)26-23(25(28)29)20-21-16-18-22(19-17-21)33-34(30,31)32/h16-19,23H,2-15,20H2,1H3,(H,26,27)(H,28,29)(H2,30,31,32)/t23-/m0/s1
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2.33E+3n/an/an/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Binding affinity for Lysophosphatidic acid receptor 3 expressed in RH7777 rat hepatoma cells


J Med Chem 48: 4919-30 (2005)


Article DOI: 10.1021/jm049609r
BindingDB Entry DOI: 10.7270/Q2HD7V5N
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 2


(Homo sapiens (Human))
BDBM50170846
PNG
(CHEMBL190999 | Tetradecyl-phosphonic acid)
Show SMILES CCCCCCCCCCCCCCP(O)(O)=O
Show InChI InChI=1S/C14H31O3P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18(15,16)17/h2-14H2,1H3,(H2,15,16,17)
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3.55E+3n/an/an/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Binding affinity for Lysophosphatidic acid receptor 2 expressed in RH7777 rat hepatoma cells


J Med Chem 48: 4919-30 (2005)


Article DOI: 10.1021/jm049609r
BindingDB Entry DOI: 10.7270/Q2HD7V5N
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM50170862
PNG
(CHEMBL191055 | Octanoic acid (S)-1-methyl-2-octano...)
Show SMILES CCCCCCCC(=O)OC[C@H](COP(O)(=O)OP(O)(O)=O)OC(=O)CCCCCCC
Show InChI InChI=1S/C19H38O11P2/c1-3-5-7-9-11-13-18(20)27-15-17(16-28-32(25,26)30-31(22,23)24)29-19(21)14-12-10-8-6-4-2/h17H,3-16H2,1-2H3,(H,25,26)(H2,22,23,24)/t17-/m1/s1
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4.30E+3n/an/an/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Binding affinity for Lysophosphatidic acid receptor 1 expressed in RH7777 rat hepatoma cells


J Med Chem 48: 4919-30 (2005)


Article DOI: 10.1021/jm049609r
BindingDB Entry DOI: 10.7270/Q2HD7V5N
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50322727
PNG
(4-[(4-{[3-(4-Fluorobenzyl)-2,4-dioxo-1,3-thiazolan...)
Show SMILES OB(O)c1ccc(COc2ccc(\C=C3/SC(=O)N(Cc4ccc(F)cc4)C3=O)cc2)cc1
Show InChI InChI=1S/C24H19BFNO5S/c26-20-9-3-17(4-10-20)14-27-23(28)22(33-24(27)29)13-16-5-11-21(12-6-16)32-15-18-1-7-19(8-2-18)25(30)31/h1-13,30-31H,14-15H2/b22-13-
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n/an/a 5.70n/an/an/an/an/an/a



Institute

Curated by ChEMBL


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


J Med Chem 53: 4958-67 (2010)


Article DOI: 10.1021/jm1005012
BindingDB Entry DOI: 10.7270/Q2G73DXK
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50322725
PNG
(3-[(3-{[3-(4-Fluorobenzyl)-2,4-dioxo-1,3-thiazolan...)
Show SMILES OB(O)c1cccc(COc2cccc(\C=C3/SC(=O)N(Cc4ccc(F)cc4)C3=O)c2)c1
Show InChI InChI=1S/C24H19BFNO5S/c26-20-9-7-16(8-10-20)14-27-23(28)22(33-24(27)29)13-17-3-2-6-21(12-17)32-15-18-4-1-5-19(11-18)25(30)31/h1-13,30-31H,14-15H2/b22-13-
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n/an/a 12n/an/an/an/an/an/a



Institute

Curated by ChEMBL


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


J Med Chem 53: 4958-67 (2010)


Article DOI: 10.1021/jm1005012
BindingDB Entry DOI: 10.7270/Q2G73DXK
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 3


(Homo sapiens (Human))
BDBM50170847
PNG
(CHEMBL190484 | Thiophosphoric acid (E)-dodec-9-eny...)
Show SMILES CC\C=C\CCCCCCCCOP(O)(O)=S
Show InChI InChI=1S/C12H25O3PS/c1-2-3-4-5-6-7-8-9-10-11-12-15-16(13,14)17/h3-4H,2,5-12H2,1H3,(H2,13,14,17)/b4-3+
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n/an/a 27n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of LPA-induced calcium transients in RH7777 rat hepatoma cells expressing LPA3 receptor


J Med Chem 48: 4919-30 (2005)


Article DOI: 10.1021/jm049609r
BindingDB Entry DOI: 10.7270/Q2HD7V5N
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50322724
PNG
(3-[(4-{[3-(4-Fluorobenzyl)-2,4-dioxo-1,3-thiazolan...)
Show SMILES OB(O)c1cccc(COc2ccc(\C=C3/SC(=O)N(Cc4ccc(F)cc4)C3=O)cc2)c1
Show InChI InChI=1S/C24H19BFNO5S/c26-20-8-4-17(5-9-20)14-27-23(28)22(33-24(27)29)13-16-6-10-21(11-7-16)32-15-18-2-1-3-19(12-18)25(30)31/h1-13,30-31H,14-15H2/b22-13-
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n/an/a 28n/an/an/an/an/an/a



Institute

Curated by ChEMBL


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


J Med Chem 53: 4958-67 (2010)


Article DOI: 10.1021/jm1005012
BindingDB Entry DOI: 10.7270/Q2G73DXK
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 3


(Homo sapiens (Human))
BDBM50170860
PNG
(CHEMBL191365 | Thiophosphoric acid dodecyl ester)
Show SMILES CCCCCCCCCCCCOP(O)(O)=S
Show InChI InChI=1S/C12H27O3PS/c1-2-3-4-5-6-7-8-9-10-11-12-15-16(13,14)17/h2-12H2,1H3,(H2,13,14,17)
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n/an/a 28n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of LPA-induced calcium transients in RH7777 rat hepatoma cells expressing LPA3 receptor


J Med Chem 48: 4919-30 (2005)


Article DOI: 10.1021/jm049609r
BindingDB Entry DOI: 10.7270/Q2HD7V5N
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 3


(Homo sapiens (Human))
BDBM50170852
PNG
(CHEMBL187402 | Thiophosphoric acid (E)-tetradec-9-...)
Show SMILES CCCC\C=C\CCCCCCCCOP(O)(O)=S
Show InChI InChI=1S/C14H29O3PS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-18(15,16)19/h5-6H,2-4,7-14H2,1H3,(H2,15,16,19)/b6-5+
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n/an/a 28n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of LPA-induced calcium transients in RH7777 rat hepatoma cells expressing LPA3 receptor


J Med Chem 48: 4919-30 (2005)


Article DOI: 10.1021/jm049609r
BindingDB Entry DOI: 10.7270/Q2HD7V5N
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50322728
PNG
(4-[(3-{[3-(4-Fluorobenzyl)-2,4-dioxo-1,3-thiazolan...)
Show SMILES OB(O)c1ccc(COc2cccc(\C=C3/SC(=O)N(Cc4ccc(F)cc4)C3=O)c2)cc1
Show InChI InChI=1S/C24H19BFNO5S/c26-20-10-6-16(7-11-20)14-27-23(28)22(33-24(27)29)13-18-2-1-3-21(12-18)32-15-17-4-8-19(9-5-17)25(30)31/h1-13,30-31H,14-15H2/b22-13-
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n/an/a 30n/an/an/an/an/an/a



Institute

Curated by ChEMBL


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


J Med Chem 53: 4958-67 (2010)


Article DOI: 10.1021/jm1005012
BindingDB Entry DOI: 10.7270/Q2G73DXK
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 3


(Homo sapiens (Human))
BDBM50170858
PNG
(CHEMBL190349 | Phosphoric acid mono-((E)-dodec-9-e...)
Show SMILES CC\C=C\CCCCCCCCOP(O)(O)=O
Show InChI InChI=1S/C12H25O4P/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15/h3-4H,2,5-12H2,1H3,(H2,13,14,15)/b4-3+
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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 LPA-induced calcium transients in RH7777 rat hepatoma cells expressing LPA3 receptor


J Med Chem 48: 4919-30 (2005)


Article DOI: 10.1021/jm049609r
BindingDB Entry DOI: 10.7270/Q2HD7V5N
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50322707
PNG
(6-amino-4-(4-(dimethylamino)phenyl)-3-(4-isobutylp...)
Show SMILES CC(C)Cc1ccc(cc1)-c1n[nH]c2OC(=N)C(C#N)C(c12)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C25H27N5O/c1-15(2)13-16-5-7-18(8-6-16)23-22-21(17-9-11-19(12-10-17)30(3)4)20(14-26)24(27)31-25(22)29-28-23/h5-12,15,20-21,27H,13H2,1-4H3,(H,28,29)
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n/an/a 46n/an/an/an/an/an/a



Institute

Curated by ChEMBL


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


J Med Chem 53: 4958-67 (2010)


Article DOI: 10.1021/jm1005012
BindingDB Entry DOI: 10.7270/Q2G73DXK
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50322708
PNG
(4-[(4-{[3-(4-Fluorobenzyl)-2,4-dioxo-1,3-thiazolan...)
Show SMILES COc1cc(\C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)ccc1OCc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C26H20FNO6S/c1-33-22-12-18(6-11-21(22)34-15-17-2-7-19(8-3-17)25(30)31)13-23-24(29)28(26(32)35-23)14-16-4-9-20(27)10-5-16/h2-13H,14-15H2,1H3,(H,30,31)/b23-13-
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n/an/a 56n/an/an/an/an/an/a



Institute

Curated by ChEMBL


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


J Med Chem 53: 4958-67 (2010)


Article DOI: 10.1021/jm1005012
BindingDB Entry DOI: 10.7270/Q2G73DXK
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50322706
PNG
(3-(4-chlorobenzyl)-5-(3-methoxy-4-(pyridin-4-ylmet...)
Show SMILES COc1cc(\C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)ccc1OCc1ccncc1
Show InChI InChI=1S/C24H19ClN2O4S/c1-30-21-12-18(4-7-20(21)31-15-17-8-10-26-11-9-17)13-22-23(28)27(24(29)32-22)14-16-2-5-19(25)6-3-16/h2-13H,14-15H2,1H3/b22-13-
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n/an/a 68n/an/an/an/an/an/a



Institute

Curated by ChEMBL


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


J Med Chem 53: 4958-67 (2010)


Article DOI: 10.1021/jm1005012
BindingDB Entry DOI: 10.7270/Q2G73DXK
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 3


(Homo sapiens (Human))
BDBM50170843
PNG
(CHEMBL190430 | Phosphoric acid mono-((E)-tetradec-...)
Show SMILES CCCC\C=C\CCCCCCCCOP(O)(O)=O
Show InChI InChI=1S/C14H29O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17/h5-6H,2-4,7-14H2,1H3,(H2,15,16,17)/b6-5+
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n/an/a 96n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of LPA-induced calcium transients in RH7777 rat hepatoma cells expressing LPA3 receptor


J Med Chem 48: 4919-30 (2005)


Article DOI: 10.1021/jm049609r
BindingDB Entry DOI: 10.7270/Q2HD7V5N
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 3


(Homo sapiens (Human))
BDBM50170851
PNG
(CHEMBL188591 | Phosphoric acid mono-((E)-tetradec-...)
Show SMILES CC\C=C\CCCCCCCCCCOP(O)(O)=O
Show InChI InChI=1S/C14H29O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17/h3-4H,2,5-14H2,1H3,(H2,15,16,17)/b4-3+
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n/an/a 103n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of LPA-induced calcium transients in RH7777 rat hepatoma cells expressing LPA3 receptor


J Med Chem 48: 4919-30 (2005)


Article DOI: 10.1021/jm049609r
BindingDB Entry DOI: 10.7270/Q2HD7V5N
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


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



Institute

Curated by ChEMBL


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


J Med Chem 53: 4958-67 (2010)


Article DOI: 10.1021/jm1005012
BindingDB Entry DOI: 10.7270/Q2G73DXK
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 3


(Homo sapiens (Human))
BDBM50170857
PNG
(CHEMBL187795 | Thiophosphoric acid decyl ester)
Show SMILES CCCCCCCCCCOP(O)(O)=S
Show InChI InChI=1S/C10H23O3PS/c1-2-3-4-5-6-7-8-9-10-13-14(11,12)15/h2-10H2,1H3,(H2,11,12,15)
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n/an/a 122n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of LPA-induced calcium transients in RH7777 rat hepatoma cells expressing LPA3 receptor


J Med Chem 48: 4919-30 (2005)


Article DOI: 10.1021/jm049609r
BindingDB Entry DOI: 10.7270/Q2HD7V5N
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50322709
PNG
(4-((4-((3-benzyl-2,4-dioxothiazolidin-5-ylidene)me...)
Show SMILES CCOc1cc(\C=C2/SC(=O)N(Cc3ccccc3)C2=O)ccc1OCc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C27H23NO6S/c1-2-33-23-14-20(10-13-22(23)34-17-19-8-11-21(12-9-19)26(30)31)15-24-25(29)28(27(32)35-24)16-18-6-4-3-5-7-18/h3-15H,2,16-17H2,1H3,(H,30,31)/b24-15-
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KEGG

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n/an/a 161n/an/an/an/an/an/a



Institute

Curated by ChEMBL


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


J Med Chem 53: 4958-67 (2010)


Article DOI: 10.1021/jm1005012
BindingDB Entry DOI: 10.7270/Q2G73DXK
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 3


(Homo sapiens (Human))
BDBM50170849
PNG
(CHEMBL189296 | Thiophosphoric acid tetradecyl este...)
Show SMILES CCCCCCCCCCCCCCOP(O)(O)=S
Show InChI InChI=1S/C14H31O3PS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-18(15,16)19/h2-14H2,1H3,(H2,15,16,19)
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n/an/a 162n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of LPA-induced calcium transients in RH7777 rat hepatoma cells expressing LPA3 receptor


J Med Chem 48: 4919-30 (2005)


Article DOI: 10.1021/jm049609r
BindingDB Entry DOI: 10.7270/Q2HD7V5N
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50322710
PNG
(4-((4-((3-benzyl-2,4-dioxothiazolidin-5-ylidene)me...)
Show SMILES COc1cc(\C=C2/SC(=O)N(Cc3ccccc3)C2=O)ccc1OCc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C26H21NO6S/c1-32-22-13-19(9-12-21(22)33-16-18-7-10-20(11-8-18)25(29)30)14-23-24(28)27(26(31)34-23)15-17-5-3-2-4-6-17/h2-14H,15-16H2,1H3,(H,29,30)/b23-14-
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KEGG

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n/an/a 248n/an/an/an/an/an/a



Institute

Curated by ChEMBL


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


J Med Chem 53: 4958-67 (2010)


Article DOI: 10.1021/jm1005012
BindingDB Entry DOI: 10.7270/Q2G73DXK
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


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



Institute

Curated by ChEMBL


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


J Med Chem 53: 4958-67 (2010)


Article DOI: 10.1021/jm1005012
BindingDB Entry DOI: 10.7270/Q2G73DXK
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 3


(Homo sapiens (Human))
BDBM50170859
PNG
(3-(4-(4-((1-(2-chlorophenyl)ethoxy)carbonyl)-3-met...)
Show SMILES CC(OC(=O)Nc1c(C)noc1-c1ccc(CSCCC(O)=O)cc1)c1ccccc1Cl
Show InChI InChI=1S/C23H23ClN2O5S/c1-14-21(25-23(29)30-15(2)18-5-3-4-6-19(18)24)22(31-26-14)17-9-7-16(8-10-17)13-32-12-11-20(27)28/h3-10,15H,11-13H2,1-2H3,(H,25,29)(H,27,28)
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n/an/a 301n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of LPA-induced calcium transients in RH7777 rat hepatoma cells expressing LPA3 receptor


J Med Chem 48: 4919-30 (2005)


Article DOI: 10.1021/jm049609r
BindingDB Entry DOI: 10.7270/Q2HD7V5N
More data for this
Ligand-Target Pair
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