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Compile Data Set for Download or QSAR

Found 638 hits with Last Name = 'baker' and Initial = 'l'   
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))
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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0.100n/an/an/an/an/an/an/an/a



The University of Memphis

Curated by ChEMBL


Assay Description
Noncompetitive type inhibition of human autotaxin at free state isolated from MDA-MB-231 cells assessed as blockade of FS3 substrate hydrolysis by FR...


J Med Chem 53: 1056-66 (2010)


Article DOI: 10.1021/jm9012328
BindingDB Entry DOI: 10.7270/Q2BP02VN
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50300224
PNG
(4-amino-4-(hydroxymethyl)-6-(4-octylphenyl)hexylph...)
Show SMILES CCCCCCCCc1ccc(CCC(N)(CO)CCCP(O)(O)=O)cc1
Show InChI InChI=1S/C21H38NO4P/c1-2-3-4-5-6-7-9-19-10-12-20(13-11-19)14-16-21(22,18-23)15-8-17-27(24,25)26/h10-13,23H,2-9,14-18,22H2,1H3,(H2,24,25,26)
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0.200n/an/an/an/an/an/an/an/a



The University of Memphis

Curated by ChEMBL


Assay Description
Noncompetitive type inhibition of human autotaxin at free state isolated from MDA-MB-231 cells assessed as blockade of FS3 substrate hydrolysis by FR...


J Med Chem 53: 1056-66 (2010)


Article DOI: 10.1021/jm9012328
BindingDB Entry DOI: 10.7270/Q2BP02VN
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50300212
PNG
(2-(4-{[(3-Trifluoromethylphenyl)amino]carbonothioy...)
Show SMILES CCn1cc(C(O)=O)c(=O)c2cnc(nc12)N1CCN(CC1)C(=S)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C22H21F3N6O3S/c1-2-29-12-16(19(33)34)17(32)15-11-26-20(28-18(15)29)30-6-8-31(9-7-30)21(35)27-14-5-3-4-13(10-14)22(23,24)25/h3-5,10-12H,2,6-9H2,1H3,(H,27,35)(H,33,34)
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0.700n/an/an/an/an/an/an/an/a



The University of Memphis

Curated by ChEMBL


Assay Description
Competitive inhibition of human autotaxin at free state isolated from MDA-MB-231 cells assessed as blockade of FS3 substrate hydrolysis by FRET assay


J Med Chem 53: 1056-66 (2010)


Article DOI: 10.1021/jm9012328
BindingDB Entry DOI: 10.7270/Q2BP02VN
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50133761
PNG
(3-[5-(3-Trifluoromethyl-phenyl)-1H-imidazol-2-yl]-...)
Show SMILES FC(F)(F)c1cccc(c1)-c1c[nH]c(n1)-c1cccnc1
Show InChI InChI=1S/C15H10F3N3/c16-15(17,18)12-5-1-3-10(7-12)13-9-20-14(21-13)11-4-2-6-19-8-11/h1-9H,(H,20,21)
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1.60n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity towards human neuropeptide Y receptor type 5 using [125I]-PYY as radiogigand in baculovirus-infected Sf9 cells


Bioorg Med Chem Lett 13: 3593-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DF6QKD
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50300214
PNG
(2-(4-((3,5-dichlorophenyl)carbamothioyl)piperazin-...)
Show SMILES CCn1cc(C(O)=O)c(=O)c2cnc(nc12)N1CCN(CC1)C(=S)Nc1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C21H20Cl2N6O3S/c1-2-27-11-16(19(31)32)17(30)15-10-24-20(26-18(15)27)28-3-5-29(6-4-28)21(33)25-14-8-12(22)7-13(23)9-14/h7-11H,2-6H2,1H3,(H,25,33)(H,31,32)
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1.90n/an/an/an/an/an/an/an/a



The University of Memphis

Curated by ChEMBL


Assay Description
Competitive inhibition of human autotaxin at free state isolated from MDA-MB-231 cells assessed as blockade of FS3 substrate hydrolysis by FRET assay


J Med Chem 53: 1056-66 (2010)


Article DOI: 10.1021/jm9012328
BindingDB Entry DOI: 10.7270/Q2BP02VN
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50300210
PNG
(2-(4-{[(3-Chlorophenyl)amino]carbonothioyl}-1-pipe...)
Show SMILES CCn1cc(C(O)=O)c(=O)c2cnc(nc12)N1CCN(CC1)C(=S)Nc1cccc(Cl)c1
Show InChI InChI=1S/C21H21ClN6O3S/c1-2-26-12-16(19(30)31)17(29)15-11-23-20(25-18(15)26)27-6-8-28(9-7-27)21(32)24-14-5-3-4-13(22)10-14/h3-5,10-12H,2,6-9H2,1H3,(H,24,32)(H,30,31)
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2.60n/an/an/an/an/an/an/an/a



The University of Memphis

Curated by ChEMBL


Assay Description
Mixed type inhibition of human autotaxin at free state isolated from MDA-MB-231 cells assessed as blockade of FS3 substrate hydrolysis by FRET assay


J Med Chem 53: 1056-66 (2010)


Article DOI: 10.1021/jm9012328
BindingDB Entry DOI: 10.7270/Q2BP02VN
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50300209
PNG
(2-(4-{[(2,5-Dichlorophenyl)amino]carbonothioyl}-1-...)
Show SMILES CCn1cc(C(O)=O)c(=O)c2cnc(nc12)N1CCN(CC1)C(=S)Nc1cc(Cl)ccc1Cl
Show InChI InChI=1S/C21H20Cl2N6O3S/c1-2-27-11-14(19(31)32)17(30)13-10-24-20(26-18(13)27)28-5-7-29(8-6-28)21(33)25-16-9-12(22)3-4-15(16)23/h3-4,9-11H,2,5-8H2,1H3,(H,25,33)(H,31,32)
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3.40n/an/an/an/an/an/an/an/a



The University of Memphis

Curated by ChEMBL


Assay Description
Mixed type inhibition of human autotaxin at free state isolated from MDA-MB-231 cells assessed as blockade of FS3 substrate hydrolysis by FRET assay


J Med Chem 53: 1056-66 (2010)


Article DOI: 10.1021/jm9012328
BindingDB Entry DOI: 10.7270/Q2BP02VN
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50133775
PNG
(4-[5-(3,4-Dichloro-phenyl)-1H-imidazol-2-yl]-pyrid...)
Show SMILES Clc1ccc(cc1Cl)-c1c[nH]c(n1)-c1ccncc1
Show InChI InChI=1S/C14H9Cl2N3/c15-11-2-1-10(7-12(11)16)13-8-18-14(19-13)9-3-5-17-6-4-9/h1-8H,(H,18,19)
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3.5n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity towards human neuropeptide Y receptor type 5 using [125I]-PYY as radiogigand in baculovirus-infected Sf9 cells


Bioorg Med Chem Lett 13: 3593-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DF6QKD
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50133780
PNG
(3-[5-(3,4-Dichloro-phenyl)-1H-imidazol-2-yl]-pyrid...)
Show SMILES Clc1ccc(cc1Cl)-c1c[nH]c(n1)-c1cccnc1
Show InChI InChI=1S/C14H9Cl2N3/c15-11-4-3-9(6-12(11)16)13-8-18-14(19-13)10-2-1-5-17-7-10/h1-8H,(H,18,19)
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4n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity towards human neuropeptide Y receptor type 5 using [125I]-PYY as radiogigand in baculovirus-infected Sf9 cells


Bioorg Med Chem Lett 13: 3593-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DF6QKD
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50300216
PNG
(2-(4-{[(3,5-Bis(trifluoromethyl)phenyl)amino]carbo...)
Show SMILES CCn1cc(C(O)=O)c(=O)c2cnc(nc12)N1CCN(CC1)C(=S)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C23H20F6N6O3S/c1-2-33-11-16(19(37)38)17(36)15-10-30-20(32-18(15)33)34-3-5-35(6-4-34)21(39)31-14-8-12(22(24,25)26)7-13(9-14)23(27,28)29/h7-11H,2-6H2,1H3,(H,31,39)(H,37,38)
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4n/an/an/an/an/an/an/an/a



The University of Memphis

Curated by ChEMBL


Assay Description
Competitive inhibition of human autotaxin at free state isolated from MDA-MB-231 cells assessed as blockade of FS3 substrate hydrolysis by FRET assay


J Med Chem 53: 1056-66 (2010)


Article DOI: 10.1021/jm9012328
BindingDB Entry DOI: 10.7270/Q2BP02VN
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50300221
PNG
(2-(4-{[(3,5-Dimethylphenyl)amino]carbonothioyl}-1-...)
Show SMILES CCn1cc(C(O)=O)c(=O)c2cnc(nc12)N1CCN(CC1)C(=S)Nc1cc(C)cc(C)c1
Show InChI InChI=1S/C23H26N6O3S/c1-4-27-13-18(21(31)32)19(30)17-12-24-22(26-20(17)27)28-5-7-29(8-6-28)23(33)25-16-10-14(2)9-15(3)11-16/h9-13H,4-8H2,1-3H3,(H,25,33)(H,31,32)
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4.20n/an/an/an/an/an/an/an/a



The University of Memphis

Curated by ChEMBL


Assay Description
Competitive inhibition of human autotaxin at free state isolated from MDA-MB-231 cells assessed as blockade of FS3 substrate hydrolysis by FRET assay


J Med Chem 53: 1056-66 (2010)


Article DOI: 10.1021/jm9012328
BindingDB Entry DOI: 10.7270/Q2BP02VN
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50300215
PNG
(2-(4-{[(3-Methylphenyl)amino]carbonothioyl}-1-pipe...)
Show SMILES CCn1cc(C(O)=O)c(=O)c2cnc(nc12)N1CCN(CC1)C(=S)Nc1cccc(C)c1
Show InChI InChI=1S/C22H24N6O3S/c1-3-26-13-17(20(30)31)18(29)16-12-23-21(25-19(16)26)27-7-9-28(10-8-27)22(32)24-15-6-4-5-14(2)11-15/h4-6,11-13H,3,7-10H2,1-2H3,(H,24,32)(H,30,31)
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4.5n/an/an/an/an/an/an/an/a



The University of Memphis

Curated by ChEMBL


Assay Description
Competitive inhibition of human autotaxin at free state isolated from MDA-MB-231 cells assessed as blockade of FS3 substrate hydrolysis by FRET assay


J Med Chem 53: 1056-66 (2010)


Article DOI: 10.1021/jm9012328
BindingDB Entry DOI: 10.7270/Q2BP02VN
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50133762
PNG
(3-[5-(3-Trifluoromethoxy-phenyl)-1H-imidazol-2-yl]...)
Show SMILES FC(F)(F)Oc1cccc(c1)-c1c[nH]c(n1)-c1cccnc1
Show InChI InChI=1S/C15H10F3N3O/c16-15(17,18)22-12-5-1-3-10(7-12)13-9-20-14(21-13)11-4-2-6-19-8-11/h1-9H,(H,20,21)
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4.90n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity towards human neuropeptide Y receptor type 5 using [125I]-PYY as radiogigand in baculovirus-infected Sf9 cells


Bioorg Med Chem Lett 13: 3593-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DF6QKD
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 3 (LPAR3)


(Homo sapiens (Human))
BDBM50176394
PNG
(CHEMBL202361 | octanoic acid (R)-2-octanoyloxy-3-t...)
Show SMILES CCCCCCCC(=O)OC[C@H](COP(O)(O)=S)OC(=O)CCCCCCC
Show InChI InChI=1S/C19H37O7PS/c1-3-5-7-9-11-13-18(20)24-15-17(16-25-27(22,23)28)26-19(21)14-12-10-8-6-4-2/h17H,3-16H2,1-2H3,(H2,22,23,28)/t17-/m1/s1
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5n/an/an/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Activity at LPA3 receptor transfected RH7777 cells


Bioorg Med Chem Lett 16: 633-40 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.031
BindingDB Entry DOI: 10.7270/Q2ZC82DB
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50300222
PNG
(2-(4-{[(4-Chlorophenyl)amino]carbonothioyl}-1-pipe...)
Show SMILES CCn1cc(C(O)=O)c(=O)c2cnc(nc12)N1CCN(CC1)C(=S)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C21H21ClN6O3S/c1-2-26-12-16(19(30)31)17(29)15-11-23-20(25-18(15)26)27-7-9-28(10-8-27)21(32)24-14-5-3-13(22)4-6-14/h3-6,11-12H,2,7-10H2,1H3,(H,24,32)(H,30,31)
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5.70n/an/an/an/an/an/an/an/a



The University of Memphis

Curated by ChEMBL


Assay Description
Competitive inhibition of human autotaxin at free state isolated from MDA-MB-231 cells assessed as blockade of FS3 substrate hydrolysis by FRET assay


J Med Chem 53: 1056-66 (2010)


Article DOI: 10.1021/jm9012328
BindingDB Entry DOI: 10.7270/Q2BP02VN
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50300217
PNG
(2-(4-{[(3-Benzothiadiazolphenyl)amino]carbonothioy...)
Show SMILES CCn1cc(C(O)=O)c(=O)c2cnc(nc12)N1CCN(CC1)C(=S)Nc1ccc2nsnc2c1
Show InChI InChI=1S/C21H20N8O3S2/c1-2-27-11-14(19(31)32)17(30)13-10-22-20(24-18(13)27)28-5-7-29(8-6-28)21(33)23-12-3-4-15-16(9-12)26-34-25-15/h3-4,9-11H,2,5-8H2,1H3,(H,23,33)(H,31,32)
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7.10n/an/an/an/an/an/an/an/a



The University of Memphis

Curated by ChEMBL


Assay Description
Competitive inhibition of human autotaxin at free state isolated from MDA-MB-231 cells assessed as blockade of FS3 substrate hydrolysis by FRET assay


J Med Chem 53: 1056-66 (2010)


Article DOI: 10.1021/jm9012328
BindingDB Entry DOI: 10.7270/Q2BP02VN
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50300220
PNG
(2-(4-{[(3-Iodophenyl)amino]carbonothioyl}-1-pipera...)
Show SMILES CCn1cc(C(O)=O)c(=O)c2cnc(nc12)N1CCN(CC1)C(=S)Nc1cccc(I)c1
Show InChI InChI=1S/C21H21IN6O3S/c1-2-26-12-16(19(30)31)17(29)15-11-23-20(25-18(15)26)27-6-8-28(9-7-27)21(32)24-14-5-3-4-13(22)10-14/h3-5,10-12H,2,6-9H2,1H3,(H,24,32)(H,30,31)
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7.40n/an/an/an/an/an/an/an/a



The University of Memphis

Curated by ChEMBL


Assay Description
Mixed type inhibition of human autotaxin at free state isolated from MDA-MB-231 cells assessed as blockade of FS3 substrate hydrolysis by FRET assay


J Med Chem 53: 1056-66 (2010)


Article DOI: 10.1021/jm9012328
BindingDB Entry DOI: 10.7270/Q2BP02VN
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50133779
PNG
(3-[5-(3-Chloro-phenyl)-1H-imidazol-2-yl]-pyridine ...)
Show SMILES Clc1cccc(c1)-c1c[nH]c(n1)-c1cccnc1
Show InChI InChI=1S/C14H10ClN3/c15-12-5-1-3-10(7-12)13-9-17-14(18-13)11-4-2-6-16-8-11/h1-9H,(H,17,18)
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8n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity towards human neuropeptide Y receptor type 5 using [125I]-PYY as radiogigand in baculovirus-infected Sf9 cells


Bioorg Med Chem Lett 13: 3593-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DF6QKD
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50300220
PNG
(2-(4-{[(3-Iodophenyl)amino]carbonothioyl}-1-pipera...)
Show SMILES CCn1cc(C(O)=O)c(=O)c2cnc(nc12)N1CCN(CC1)C(=S)Nc1cccc(I)c1
Show InChI InChI=1S/C21H21IN6O3S/c1-2-26-12-16(19(30)31)17(29)15-11-23-20(25-18(15)26)27-6-8-28(9-7-27)21(32)24-14-5-3-4-13(22)10-14/h3-5,10-12H,2,6-9H2,1H3,(H,24,32)(H,30,31)
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11n/an/an/an/an/an/an/an/a



The University of Memphis

Curated by ChEMBL


Assay Description
Mixed type inhibition of human autotaxin at enzyme-substrate complex isolated from MDA-MB-231 cells assessed as blockade of FS3 substrate hydrolysis ...


J Med Chem 53: 1056-66 (2010)


Article DOI: 10.1021/jm9012328
BindingDB Entry DOI: 10.7270/Q2BP02VN
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50300208
PNG
(2-(4-{[(4-Trifluoromethylphenyl)amino]carbonothioy...)
Show SMILES CCn1cc(C(O)=O)c(=O)c2cnc(nc12)N1CCN(CC1)C(=S)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C22H21F3N6O3S/c1-2-29-12-16(19(33)34)17(32)15-11-26-20(28-18(15)29)30-7-9-31(10-8-30)21(35)27-14-5-3-13(4-6-14)22(23,24)25/h3-6,11-12H,2,7-10H2,1H3,(H,27,35)(H,33,34)
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13n/an/an/an/an/an/an/an/a



The University of Memphis

Curated by ChEMBL


Assay Description
Noncompetitive type inhibition of human autotaxin at free state isolated from MDA-MB-231 cells assessed as blockade of FS3 substrate hydrolysis by FR...


J Med Chem 53: 1056-66 (2010)


Article DOI: 10.1021/jm9012328
BindingDB Entry DOI: 10.7270/Q2BP02VN
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50300211
PNG
(2-(4-{[(4-Iodophenyl)amino]carbonothioyl}-1-pipera...)
Show SMILES CCn1cc(C(O)=O)c(=O)c2cnc(nc12)N1CCN(CC1)C(=S)Nc1ccc(I)cc1
Show InChI InChI=1S/C21H21IN6O3S/c1-2-26-12-16(19(30)31)17(29)15-11-23-20(25-18(15)26)27-7-9-28(10-8-27)21(32)24-14-5-3-13(22)4-6-14/h3-6,11-12H,2,7-10H2,1H3,(H,24,32)(H,30,31)
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13n/an/an/an/an/an/an/an/a



The University of Memphis

Curated by ChEMBL


Assay Description
Mixed type inhibition of human autotaxin at free state isolated from MDA-MB-231 cells assessed as blockade of FS3 substrate hydrolysis by FRET assay


J Med Chem 53: 1056-66 (2010)


Article DOI: 10.1021/jm9012328
BindingDB Entry DOI: 10.7270/Q2BP02VN
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50300208
PNG
(2-(4-{[(4-Trifluoromethylphenyl)amino]carbonothioy...)
Show SMILES CCn1cc(C(O)=O)c(=O)c2cnc(nc12)N1CCN(CC1)C(=S)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C22H21F3N6O3S/c1-2-29-12-16(19(33)34)17(32)15-11-26-20(28-18(15)29)30-7-9-31(10-8-30)21(35)27-14-5-3-13(4-6-14)22(23,24)25/h3-6,11-12H,2,7-10H2,1H3,(H,27,35)(H,33,34)
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13n/an/an/an/an/an/an/an/a



The University of Memphis

Curated by ChEMBL


Assay Description
Noncompetitive type inhibition of human autotaxin at enzyme-substrate complex isolated from MDA-MB-231 cells assessed as blockade of FS3 substrate hy...


J Med Chem 53: 1056-66 (2010)


Article DOI: 10.1021/jm9012328
BindingDB Entry DOI: 10.7270/Q2BP02VN
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50133769
PNG
(3-(5-m-Tolyl-1H-imidazol-2-yl)-pyridine | CHEMBL33...)
Show SMILES Cc1cccc(c1)-c1c[nH]c(n1)-c1cccnc1
Show InChI InChI=1S/C15H13N3/c1-11-4-2-5-12(8-11)14-10-17-15(18-14)13-6-3-7-16-9-13/h2-10H,1H3,(H,17,18)
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14n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity towards human neuropeptide Y receptor type 5 using [125I]-PYY as radiogigand in baculovirus-infected Sf9 cells


Bioorg Med Chem Lett 13: 3593-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DF6QKD
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50133782
PNG
(3-[5-(4-Chloro-phenyl)-1H-imidazol-2-yl]-pyridine ...)
Show SMILES Clc1ccc(cc1)-c1c[nH]c(n1)-c1cccnc1
Show InChI InChI=1S/C14H10ClN3/c15-12-5-3-10(4-6-12)13-9-17-14(18-13)11-2-1-7-16-8-11/h1-9H,(H,17,18)
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16n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity towards human neuropeptide Y receptor type 5 using [125I]-PYY as radiogigand in baculovirus-infected Sf9 cells


Bioorg Med Chem Lett 13: 3593-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DF6QKD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform/[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial


(Homo sapiens (Human))
BDBM50236511
PNG
(CHEMBL3718319)
Show SMILES C[C@H]1CCc2cc(ccc2N1C(=O)c1ccc(O)cc1O)C(=O)N(C)Cc1ccc2nccnc2c1 |r|
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16n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards human Dopamine receptor D2 (long) by [3H]-spiperone displacement.


J Med Chem 60: 2271-2286 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01478
BindingDB Entry DOI: 10.7270/Q2XG9TDJ
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50133773
PNG
(3-[5-(3-Chloro-phenyl)-4-methyl-1H-imidazol-2-yl]-...)
Show SMILES Cc1[nH]c(nc1-c1cccc(Cl)c1)-c1cccnc1
Show InChI InChI=1S/C15H12ClN3/c1-10-14(11-4-2-6-13(16)8-11)19-15(18-10)12-5-3-7-17-9-12/h2-9H,1H3,(H,18,19)
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19n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity towards human neuropeptide Y receptor type 5 using [125I]-PYY as radiogigand in baculovirus-infected Sf9 cells


Bioorg Med Chem Lett 13: 3593-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DF6QKD
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50133767
PNG
(3-[5-(2-Chloro-phenyl)-1H-imidazol-2-yl]-pyridine ...)
Show SMILES Clc1ccccc1-c1c[nH]c(n1)-c1cccnc1
Show InChI InChI=1S/C14H10ClN3/c15-12-6-2-1-5-11(12)13-9-17-14(18-13)10-4-3-7-16-8-10/h1-9H,(H,17,18)
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21n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity towards human neuropeptide Y receptor type 5 using [125I]-PYY as radiogigand in baculovirus-infected Sf9 cells


Bioorg Med Chem Lett 13: 3593-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DF6QKD
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50300209
PNG
(2-(4-{[(2,5-Dichlorophenyl)amino]carbonothioyl}-1-...)
Show SMILES CCn1cc(C(O)=O)c(=O)c2cnc(nc12)N1CCN(CC1)C(=S)Nc1cc(Cl)ccc1Cl
Show InChI InChI=1S/C21H20Cl2N6O3S/c1-2-27-11-14(19(31)32)17(30)13-10-24-20(26-18(13)27)28-5-7-29(8-6-28)21(33)25-16-9-12(22)3-4-15(16)23/h3-4,9-11H,2,5-8H2,1H3,(H,25,33)(H,31,32)
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22n/an/an/an/an/an/an/an/a



The University of Memphis

Curated by ChEMBL


Assay Description
Mixed type inhibition of human autotaxin at enzyme-substrate complex isolated from MDA-MB-231 cells assessed as blockade of FS3 substrate hydrolysis ...


J Med Chem 53: 1056-66 (2010)


Article DOI: 10.1021/jm9012328
BindingDB Entry DOI: 10.7270/Q2BP02VN
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform/[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial


(Homo sapiens (Human))
BDBM50236516
PNG
(CHEMBL3731789)
Show SMILES CN(Cc1ccc2nccnc2c1)C(=O)c1ccc(cc1)N(Cc1ccccc1)C(=O)c1ccc(O)cc1O
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26n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd.

Curated by ChEMBL




J Med Chem 60: 2271-2286 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01478
BindingDB Entry DOI: 10.7270/Q2XG9TDJ
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50133765
PNG
(3-[5-(2-Trifluoromethyl-phenyl)-1H-imidazol-2-yl]-...)
Show SMILES FC(F)(F)c1ccccc1-c1c[nH]c(n1)-c1cccnc1
Show InChI InChI=1S/C15H10F3N3/c16-15(17,18)12-6-2-1-5-11(12)13-9-20-14(21-13)10-4-3-7-19-8-10/h1-9H,(H,20,21)
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27n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity towards human neuropeptide Y receptor type 5 using [125I]-PYY as radiogigand in baculovirus-infected Sf9 cells


Bioorg Med Chem Lett 13: 3593-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DF6QKD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform/[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial


(Homo sapiens (Human))
BDBM50236530
PNG
(CHEMBL3727577)
Show SMILES Cc1cnc(Cl)nc1-c1ccc(cc1)N(Cc1ccc(CNC(=O)C(F)F)cc1)C(=O)c1ccc(O)cc1O
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28n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd.

Curated by ChEMBL




J Med Chem 60: 2271-2286 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01478
BindingDB Entry DOI: 10.7270/Q2XG9TDJ
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50133783
PNG
(2-[5-(3,4-Dichloro-phenyl)-1H-imidazol-2-yl]-pyrid...)
Show SMILES Clc1ccc(cc1Cl)-c1c[nH]c(n1)-c1ccccn1
Show InChI InChI=1S/C14H9Cl2N3/c15-10-5-4-9(7-11(10)16)13-8-18-14(19-13)12-3-1-2-6-17-12/h1-8H,(H,18,19)
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30n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity towards human neuropeptide Y receptor type 5 using [125I]-PYY as radiogigand in baculovirus-infected Sf9 cells


Bioorg Med Chem Lett 13: 3593-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DF6QKD
More data for this
Ligand-Target Pair
Heat shock protein HSP90


(Homo sapiens (Human))
BDBM265209
PNG
(US9718793, 41j)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1C)-c1cc(Cl)c(O)cc1O |(3.1,-6.74,;2.33,-5.41,;3.1,-4.07,;2.33,-2.74,;3.1,-1.41,;.79,-2.74,;-.12,-3.99,;-1.58,-3.51,;-1.58,-1.97,;-.12,-1.49,;.28,-.01,;-.81,1.08,;-.41,2.57,;1.08,2.97,;1.48,4.46,;2.96,4.85,;4.05,3.77,;5.54,4.16,;5.94,5.65,;4.85,6.74,;3.36,6.34,;2.17,1.88,;1.77,.39,;2.86,-.7,;-2.67,-.88,;-2.27,.61,;-3.36,1.7,;-2.96,3.18,;-4.85,1.3,;-5.94,2.39,;-5.25,-.19,;-4.16,-1.28,;-4.56,-2.77,)|
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32n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd.

Curated by ChEMBL




J Med Chem 60: 2271-2286 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01478
BindingDB Entry DOI: 10.7270/Q2XG9TDJ
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50133778
PNG
(2,4(5)-Diphenylimidazole | 2,4-diphenyl-1H-imidazo...)
Show SMILES c1[nH]c(nc1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C15H12N2/c1-3-7-12(8-4-1)14-11-16-15(17-14)13-9-5-2-6-10-13/h1-11H,(H,16,17)
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34n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity towards human neuropeptide Y receptor type 5 using [125I]-PYY as radiogigand in baculovirus-infected Sf9 cells


Bioorg Med Chem Lett 13: 3593-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DF6QKD
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50300211
PNG
(2-(4-{[(4-Iodophenyl)amino]carbonothioyl}-1-pipera...)
Show SMILES CCn1cc(C(O)=O)c(=O)c2cnc(nc12)N1CCN(CC1)C(=S)Nc1ccc(I)cc1
Show InChI InChI=1S/C21H21IN6O3S/c1-2-26-12-16(19(30)31)17(29)15-11-23-20(25-18(15)26)27-7-9-28(10-8-27)21(32)24-14-5-3-13(22)4-6-14/h3-6,11-12H,2,7-10H2,1H3,(H,24,32)(H,30,31)
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34n/an/an/an/an/an/an/an/a



The University of Memphis

Curated by ChEMBL


Assay Description
Mixed type inhibition of human autotaxin at enzyme-substrate complex isolated from MDA-MB-231 cells assessed as blockade of FS3 substrate hydrolysis ...


J Med Chem 53: 1056-66 (2010)


Article DOI: 10.1021/jm9012328
BindingDB Entry DOI: 10.7270/Q2BP02VN
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50133766
PNG
(3-[5-(3,4-Difluoro-phenyl)-1H-imidazol-2-yl]-pyrid...)
Show SMILES Fc1ccc(cc1F)-c1c[nH]c(n1)-c1cccnc1
Show InChI InChI=1S/C14H9F2N3/c15-11-4-3-9(6-12(11)16)13-8-18-14(19-13)10-2-1-5-17-7-10/h1-8H,(H,18,19)
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34n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity towards human neuropeptide Y receptor type 5 using [125I]-PYY as radiogigand in baculovirus-infected Sf9 cells


Bioorg Med Chem Lett 13: 3593-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DF6QKD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform/[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial


(Homo sapiens (Human))
BDBM50236519
PNG
(CHEMBL3727843)
Show SMILES Cc1cnc(Cl)nc1-c1ccc(cc1)N(Cc1ccc(CN2CCCC2)cc1)C(=O)c1ccc(O)cc1O
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37n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35428 binding to dopamine transporter (DAT) of cynomolgus monkey caudate-putamen


J Med Chem 60: 2271-2286 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01478
BindingDB Entry DOI: 10.7270/Q2XG9TDJ
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50133784
PNG
(3-[5-(4-Trifluoromethyl-phenyl)-1H-imidazol-2-yl]-...)
Show SMILES FC(F)(F)c1ccc(cc1)-c1c[nH]c(n1)-c1cccnc1
Show InChI InChI=1S/C15H10F3N3/c16-15(17,18)12-5-3-10(4-6-12)13-9-20-14(21-13)11-2-1-7-19-8-11/h1-9H,(H,20,21)
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37n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity towards human neuropeptide Y receptor type 5 using [125I]-PYY as radiogigand in baculovirus-infected Sf9 cells


Bioorg Med Chem Lett 13: 3593-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DF6QKD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform/[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial


(Homo sapiens (Human))
BDBM50236514
PNG
(CHEMBL4100504)
Show SMILES C[C@H]1CCc2cc(ccc2N1C(=O)c1ccc(O)cc1O)-c1nc(Cl)ncc1C |r|
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37n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd.

Curated by ChEMBL




J Med Chem 60: 2271-2286 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01478
BindingDB Entry DOI: 10.7270/Q2XG9TDJ
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 3 (LPAR3)


(Homo sapiens (Human))
BDBM50176391
PNG
(CHEMBL202185 | octanoic acid (R)-2-octanoyloxy-3-p...)
Show SMILES CCCCCCCC(=O)OC[C@H](COP(O)(O)=O)OC(=O)CCCCCCC
Show InChI InChI=1S/C19H37O8P/c1-3-5-7-9-11-13-18(20)25-15-17(16-26-28(22,23)24)27-19(21)14-12-10-8-6-4-2/h17H,3-16H2,1-2H3,(H2,22,23,24)/t17-/m1/s1
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39n/an/an/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Activity at LPA3 receptor transfected RH7777 cells


Bioorg Med Chem Lett 16: 633-40 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.031
BindingDB Entry DOI: 10.7270/Q2ZC82DB
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50133759
PNG
(3-(5-o-Tolyl-1H-imidazol-2-yl)-pyridine | CHEMBL33...)
Show SMILES Cc1ccccc1-c1c[nH]c(n1)-c1cccnc1
Show InChI InChI=1S/C15H13N3/c1-11-5-2-3-7-13(11)14-10-17-15(18-14)12-6-4-8-16-9-12/h2-10H,1H3,(H,17,18)
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40n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity towards human neuropeptide Y receptor type 5 using [125I]-PYY as radiogigand in baculovirus-infected Sf9 cells


Bioorg Med Chem Lett 13: 3593-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DF6QKD
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50133776
PNG
(2-[5-(3,4-Dichloro-phenyl)-1H-imidazol-2-yl]-pyraz...)
Show SMILES Clc1ccc(cc1Cl)-c1c[nH]c(n1)-c1cnccn1
Show InChI InChI=1S/C13H8Cl2N4/c14-9-2-1-8(5-10(9)15)11-7-18-13(19-11)12-6-16-3-4-17-12/h1-7H,(H,18,19)
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40n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity towards human neuropeptide Y receptor type 5 using [125I]-PYY as radiogigand in baculovirus-infected Sf9 cells


Bioorg Med Chem Lett 13: 3593-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DF6QKD
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50300210
PNG
(2-(4-{[(3-Chlorophenyl)amino]carbonothioyl}-1-pipe...)
Show SMILES CCn1cc(C(O)=O)c(=O)c2cnc(nc12)N1CCN(CC1)C(=S)Nc1cccc(Cl)c1
Show InChI InChI=1S/C21H21ClN6O3S/c1-2-26-12-16(19(30)31)17(29)15-11-23-20(25-18(15)26)27-6-8-28(9-7-27)21(32)24-14-5-3-4-13(22)10-14/h3-5,10-12H,2,6-9H2,1H3,(H,24,32)(H,30,31)
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47n/an/an/an/an/an/an/an/a



The University of Memphis

Curated by ChEMBL


Assay Description
Mixed type inhibition of human autotaxin at enzyme-substrate complex isolated from MDA-MB-231 cells assessed as blockade of FS3 substrate hydrolysis ...


J Med Chem 53: 1056-66 (2010)


Article DOI: 10.1021/jm9012328
BindingDB Entry DOI: 10.7270/Q2BP02VN
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 3 (LPAR3)


(Homo sapiens (Human))
BDBM50176397
PNG
(CHEMBL203986 | nonanoic acid (S)-2-nonanoyloxy-3-p...)
Show SMILES CCCCCCCCOC[C@@H](COP(O)(O)=O)OCCCCCCCC
Show InChI InChI=1S/C19H41O6P/c1-3-5-7-9-11-13-15-23-17-19(18-25-26(20,21)22)24-16-14-12-10-8-6-4-2/h19H,3-18H2,1-2H3,(H2,20,21,22)/t19-/m0/s1
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50n/an/an/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Activity at LPA3 receptor transfected RH7777 cells


Bioorg Med Chem Lett 16: 633-40 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.031
BindingDB Entry DOI: 10.7270/Q2ZC82DB
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50133777
PNG
(3-[5-(3-Methoxy-phenyl)-1H-imidazol-2-yl]-pyridine...)
Show SMILES COc1cccc(c1)-c1c[nH]c(n1)-c1cccnc1
Show InChI InChI=1S/C15H13N3O/c1-19-13-6-2-4-11(8-13)14-10-17-15(18-14)12-5-3-7-16-9-12/h2-10H,1H3,(H,17,18)
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56n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity towards human neuropeptide Y receptor type 5 using [125I]-PYY as radiogigand in baculovirus-infected Sf9 cells


Bioorg Med Chem Lett 13: 3593-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DF6QKD
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform/[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial


(Homo sapiens (Human))
BDBM50236518
PNG
(CHEMBL3732469)
Show SMILES Cc1cnc(Cl)nc1-c1ccc(cc1)N(Cc1ccccc1)C(=O)c1ccc(O)cc1O
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67n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd.

Curated by ChEMBL




J Med Chem 60: 2271-2286 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01478
BindingDB Entry DOI: 10.7270/Q2XG9TDJ
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50133785
PNG
(3-[5-(4-Chloro-phenyl)-4-methyl-1H-imidazol-2-yl]-...)
Show SMILES Cc1[nH]c(nc1-c1ccc(Cl)cc1)-c1cccnc1
Show InChI InChI=1S/C15H12ClN3/c1-10-14(11-4-6-13(16)7-5-11)19-15(18-10)12-3-2-8-17-9-12/h2-9H,1H3,(H,18,19)
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69n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity towards human neuropeptide Y receptor type 5 using [125I]-PYY as radiogigand in baculovirus-infected Sf9 cells


Bioorg Med Chem Lett 13: 3593-6 (2003)


BindingDB Entry DOI: 10.7270/Q2DF6QKD
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1/lysophosphatidic acid receptor 3


(Rattus norvegicus)
BDBM50177339
PNG
(CHEMBL436763 | potassium ((2R,4R)-2-(heptadec-9-en...)
Show SMILES CCCCCCC\C=C\CCCCCCCC[C@@H]1OC[C@H](COP(O)([O-])=O)O1
Show InChI InChI=1S/C21H41O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-25-18-20(27-21)19-26-28(22,23)24/h8-9,20-21H,2-7,10-19H2,1H3,(H2,22,23,24)/p-1/b9-8+/t20-,21-/m1/s1
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83n/an/an/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Activity at LPA3 receptor in RH7777 rat hepatoma cell line


Bioorg Med Chem Lett 16: 451-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.096
BindingDB Entry DOI: 10.7270/Q2Z89C01
More data for this
Ligand-Target Pair
Pyruvate dehydrogenase kinase isoenzyme 1 (PDK1)


(Homo sapiens (Human))
BDBM50236521
PNG
(CHEMBL3715843)
Show SMILES C[C@H]1CCc2cc(F)ccc2N1C(=O)c1ccc(O)cc1O |r|
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90n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd.

Curated by ChEMBL




J Med Chem 60: 2271-2286 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01478
BindingDB Entry DOI: 10.7270/Q2XG9TDJ
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50439703
PNG
(CHEMBL2418930)
Show SMILES CC(C)C1CCC(C)CC1OCC(=O)N1CCC(CCCC2CCN(CC2)c2ccc(cc2)C(=O)N2CCCC2C(N)=O)CC1
Show InChI InChI=1S/C37H58N4O4/c1-26(2)32-14-9-27(3)24-34(32)45-25-35(42)40-22-17-29(18-23-40)7-4-6-28-15-20-39(21-16-28)31-12-10-30(11-13-31)37(44)41-19-5-8-33(41)36(38)43/h10-13,26-29,32-34H,4-9,14-25H2,1-3H3,(H2,38,43)
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100n/an/an/an/an/an/an/an/a



The University of Memphis

Curated by ChEMBL


Assay Description
Competitive inhibition of C-terminal FLAG-tagged human recombinant autotaxin using synthetic substrate FS-3 by Michaelis-Menten equation analysis


Bioorg Med Chem 21: 5548-60 (2013)


Article DOI: 10.1016/j.bmc.2013.05.061
BindingDB Entry DOI: 10.7270/Q2SF2XKS
More data for this
Ligand-Target Pair
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