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Compile Data Set for Download or QSAR

Found 52 hits Enz. Inhib. hit(s) with all data for entry = 50038829   
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
Hydroxycarboxylic acid receptor 2


(Mus musculus)
BDBM50277789
PNG
(3-(1H-tetrazol-5-yl)-5-(2,3,5-trifluorophenyl)-1,4...)
Show SMILES Fc1cc(F)c(F)c(c1)C1Cc2[nH]nc(c2C1)-c1nnn[nH]1
Show InChI InChI=1S/C13H9F3N6/c14-6-3-7(11(16)9(15)4-6)5-1-8-10(2-5)17-18-12(8)13-19-21-22-20-13/h3-5H,1-2H2,(H,17,18)(H,19,20,21,22)
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n/an/a 40n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotinic acid from mouse GPR109a receptor


Bioorg Med Chem Lett 19: 2121-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.014
BindingDB Entry DOI: 10.7270/Q2G161RV
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50277789
PNG
(3-(1H-tetrazol-5-yl)-5-(2,3,5-trifluorophenyl)-1,4...)
Show SMILES Fc1cc(F)c(F)c(c1)C1Cc2[nH]nc(c2C1)-c1nnn[nH]1
Show InChI InChI=1S/C13H9F3N6/c14-6-3-7(11(16)9(15)4-6)5-1-8-10(2-5)17-18-12(8)13-19-21-22-20-13/h3-5H,1-2H2,(H,17,18)(H,19,20,21,22)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotinic acid from human GPR109a receptor


Bioorg Med Chem Lett 19: 2121-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.014
BindingDB Entry DOI: 10.7270/Q2G161RV
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Mus musculus)
BDBM50277672
PNG
(5-butyl-3-(1H-tetrazol-5-yl)-1,4,5,6-tetrahydrocyc...)
Show SMILES CCCCC1Cc2[nH]nc(-c3nnn[nH]3)c2C1
Show InChI InChI=1S/C11H16N6/c1-2-3-4-7-5-8-9(6-7)12-13-10(8)11-14-16-17-15-11/h7H,2-6H2,1H3,(H,12,13)(H,14,15,16,17)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotinic acid from mouse GPR109a receptor


Bioorg Med Chem Lett 19: 2121-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.014
BindingDB Entry DOI: 10.7270/Q2G161RV
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50277790
PNG
(5-(3,5-difluorophenyl)-3-(1H-tetrazol-5-yl)-1,4,5,...)
Show SMILES Fc1cc(F)cc(c1)C1Cc2[nH]nc(c2C1)-c1nnn[nH]1
Show InChI InChI=1S/C13H10F2N6/c14-8-1-6(2-9(15)5-8)7-3-10-11(4-7)16-17-12(10)13-18-20-21-19-13/h1-2,5,7H,3-4H2,(H,16,17)(H,18,19,20,21)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotinic acid from human GPR109a receptor


Bioorg Med Chem Lett 19: 2121-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.014
BindingDB Entry DOI: 10.7270/Q2G161RV
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Mus musculus)
BDBM50277789
PNG
(3-(1H-tetrazol-5-yl)-5-(2,3,5-trifluorophenyl)-1,4...)
Show SMILES Fc1cc(F)c(F)c(c1)C1Cc2[nH]nc(c2C1)-c1nnn[nH]1
Show InChI InChI=1S/C13H9F3N6/c14-6-3-7(11(16)9(15)4-6)5-1-8-10(2-5)17-18-12(8)13-19-21-22-20-13/h3-5H,1-2H2,(H,17,18)(H,19,20,21,22)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotinic acid from mouse GPR109a receptor


Bioorg Med Chem Lett 19: 2121-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.014
BindingDB Entry DOI: 10.7270/Q2G161RV
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Mus musculus)
BDBM50277790
PNG
(5-(3,5-difluorophenyl)-3-(1H-tetrazol-5-yl)-1,4,5,...)
Show SMILES Fc1cc(F)cc(c1)C1Cc2[nH]nc(c2C1)-c1nnn[nH]1
Show InChI InChI=1S/C13H10F2N6/c14-8-1-6(2-9(15)5-8)7-3-10-11(4-7)16-17-12(10)13-18-20-21-19-13/h1-2,5,7H,3-4H2,(H,16,17)(H,18,19,20,21)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotinic acid from mouse GPR109a receptor


Bioorg Med Chem Lett 19: 2121-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.014
BindingDB Entry DOI: 10.7270/Q2G161RV
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50277672
PNG
(5-butyl-3-(1H-tetrazol-5-yl)-1,4,5,6-tetrahydrocyc...)
Show SMILES CCCCC1Cc2[nH]nc(-c3nnn[nH]3)c2C1
Show InChI InChI=1S/C11H16N6/c1-2-3-4-7-5-8-9(6-7)12-13-10(8)11-14-16-17-15-11/h7H,2-6H2,1H3,(H,12,13)(H,14,15,16,17)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotinic acid from human GPR109a receptor


Bioorg Med Chem Lett 19: 2121-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.014
BindingDB Entry DOI: 10.7270/Q2G161RV
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Mus musculus)
BDBM50277788
PNG
(5-(3-fluorophenyl)-3-(1H-tetrazol-5-yl)-1,4,5,6-te...)
Show SMILES Fc1cccc(c1)C1Cc2[nH]nc(c2C1)-c1nnn[nH]1
Show InChI InChI=1S/C13H11FN6/c14-9-3-1-2-7(4-9)8-5-10-11(6-8)15-16-12(10)13-17-19-20-18-13/h1-4,8H,5-6H2,(H,15,16)(H,17,18,19,20)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotinic acid from mouse GPR109a receptor


Bioorg Med Chem Lett 19: 2121-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.014
BindingDB Entry DOI: 10.7270/Q2G161RV
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50277789
PNG
(3-(1H-tetrazol-5-yl)-5-(2,3,5-trifluorophenyl)-1,4...)
Show SMILES Fc1cc(F)c(F)c(c1)C1Cc2[nH]nc(c2C1)-c1nnn[nH]1
Show InChI InChI=1S/C13H9F3N6/c14-6-3-7(11(16)9(15)4-6)5-1-8-10(2-5)17-18-12(8)13-19-21-22-20-13/h3-5H,1-2H2,(H,17,18)(H,19,20,21,22)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotinic acid from human GPR109a receptor


Bioorg Med Chem Lett 19: 2121-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.014
BindingDB Entry DOI: 10.7270/Q2G161RV
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Mus musculus)
BDBM50277752
PNG
(5-(2,3-difluorophenyl)-3-(1H-tetrazol-5-yl)-1,4,5,...)
Show SMILES Fc1cccc(C2Cc3[nH]nc(c3C2)-c2nnn[nH]2)c1F
Show InChI InChI=1S/C13H10F2N6/c14-9-3-1-2-7(11(9)15)6-4-8-10(5-6)16-17-12(8)13-18-20-21-19-13/h1-3,6H,4-5H2,(H,16,17)(H,18,19,20,21)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotinic acid from mouse GPR109a receptor


Bioorg Med Chem Lett 19: 2121-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.014
BindingDB Entry DOI: 10.7270/Q2G161RV
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50277788
PNG
(5-(3-fluorophenyl)-3-(1H-tetrazol-5-yl)-1,4,5,6-te...)
Show SMILES Fc1cccc(c1)C1Cc2[nH]nc(c2C1)-c1nnn[nH]1
Show InChI InChI=1S/C13H11FN6/c14-9-3-1-2-7(4-9)8-5-10-11(6-8)15-16-12(10)13-17-19-20-18-13/h1-4,8H,5-6H2,(H,15,16)(H,17,18,19,20)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotinic acid from human GPR109a receptor


Bioorg Med Chem Lett 19: 2121-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.014
BindingDB Entry DOI: 10.7270/Q2G161RV
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Mus musculus)
BDBM23515
PNG
(CHEMBL573 | Niacin | Nicotinic Acid | [5, 6-3H]-ni...)
Show SMILES OC(=O)c1cccnc1
Show InChI InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotinic acid from mouse GPR109a receptor


Bioorg Med Chem Lett 19: 2121-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.014
BindingDB Entry DOI: 10.7270/Q2G161RV
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Mus musculus)
BDBM50277787
PNG
(5-(3-chlorophenyl)-3-(1H-tetrazol-5-yl)-1,4,5,6-te...)
Show SMILES Clc1cccc(c1)C1Cc2[nH]nc(c2C1)-c1nnn[nH]1
Show InChI InChI=1S/C13H11ClN6/c14-9-3-1-2-7(4-9)8-5-10-11(6-8)15-16-12(10)13-17-19-20-18-13/h1-4,8H,5-6H2,(H,15,16)(H,17,18,19,20)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotinic acid from mouse GPR109a receptor


Bioorg Med Chem Lett 19: 2121-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.014
BindingDB Entry DOI: 10.7270/Q2G161RV
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM23515
PNG
(CHEMBL573 | Niacin | Nicotinic Acid | [5, 6-3H]-ni...)
Show SMILES OC(=O)c1cccnc1
Show InChI InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)
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n/an/a 140n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotinic acid from human GPR109a receptor


Bioorg Med Chem Lett 19: 2121-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.014
BindingDB Entry DOI: 10.7270/Q2G161RV
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50277752
PNG
(5-(2,3-difluorophenyl)-3-(1H-tetrazol-5-yl)-1,4,5,...)
Show SMILES Fc1cccc(C2Cc3[nH]nc(c3C2)-c2nnn[nH]2)c1F
Show InChI InChI=1S/C13H10F2N6/c14-9-3-1-2-7(11(9)15)6-4-8-10(5-6)16-17-12(8)13-18-20-21-19-13/h1-3,6H,4-5H2,(H,16,17)(H,18,19,20,21)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotinic acid from human GPR109a receptor


Bioorg Med Chem Lett 19: 2121-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.014
BindingDB Entry DOI: 10.7270/Q2G161RV
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Mus musculus)
BDBM50277672
PNG
(5-butyl-3-(1H-tetrazol-5-yl)-1,4,5,6-tetrahydrocyc...)
Show SMILES CCCCC1Cc2[nH]nc(-c3nnn[nH]3)c2C1
Show InChI InChI=1S/C11H16N6/c1-2-3-4-7-5-8-9(6-7)12-13-10(8)11-14-16-17-15-11/h7H,2-6H2,1H3,(H,12,13)(H,14,15,16,17)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotinic acid from mouse GPR109a receptor


Bioorg Med Chem Lett 19: 2121-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.014
BindingDB Entry DOI: 10.7270/Q2G161RV
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Mus musculus)
BDBM50277671
PNG
(5-propyl-3-(1H-tetrazol-5-yl)-1,4,5,6-tetrahydrocy...)
Show SMILES CCCC1Cc2[nH]nc(-c3nnn[nH]3)c2C1
Show InChI InChI=1S/C10H14N6/c1-2-3-6-4-7-8(5-6)11-12-9(7)10-13-15-16-14-10/h6H,2-5H2,1H3,(H,11,12)(H,13,14,15,16)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotinic acid from mouse GPR109a receptor


Bioorg Med Chem Lett 19: 2121-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.014
BindingDB Entry DOI: 10.7270/Q2G161RV
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50277787
PNG
(5-(3-chlorophenyl)-3-(1H-tetrazol-5-yl)-1,4,5,6-te...)
Show SMILES Clc1cccc(c1)C1Cc2[nH]nc(c2C1)-c1nnn[nH]1
Show InChI InChI=1S/C13H11ClN6/c14-9-3-1-2-7(4-9)8-5-10-11(6-8)15-16-12(10)13-17-19-20-18-13/h1-4,8H,5-6H2,(H,15,16)(H,17,18,19,20)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotinic acid from human GPR109a receptor


Bioorg Med Chem Lett 19: 2121-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.014
BindingDB Entry DOI: 10.7270/Q2G161RV
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Mus musculus)
BDBM50277710
PNG
(5-phenyl-3-(1H-tetrazol-5-yl)-1,4,5,6-tetrahydrocy...)
Show SMILES C1C(Cc2c1[nH]nc2-c1nnn[nH]1)c1ccccc1
Show InChI InChI=1S/C13H12N6/c1-2-4-8(5-3-1)9-6-10-11(7-9)14-15-12(10)13-16-18-19-17-13/h1-5,9H,6-7H2,(H,14,15)(H,16,17,18,19)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotinic acid from mouse GPR109a receptor


Bioorg Med Chem Lett 19: 2121-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.014
BindingDB Entry DOI: 10.7270/Q2G161RV
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Mus musculus)
BDBM50277786
PNG
(5-(2-fluorophenyl)-3-(1H-tetrazol-5-yl)-1,4,5,6-te...)
Show SMILES Fc1ccccc1C1Cc2[nH]nc(c2C1)-c1nnn[nH]1
Show InChI InChI=1S/C13H11FN6/c14-10-4-2-1-3-8(10)7-5-9-11(6-7)15-16-12(9)13-17-19-20-18-13/h1-4,7H,5-6H2,(H,15,16)(H,17,18,19,20)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotinic acid from mouse GPR109a receptor


Bioorg Med Chem Lett 19: 2121-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.014
BindingDB Entry DOI: 10.7270/Q2G161RV
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50277672
PNG
(5-butyl-3-(1H-tetrazol-5-yl)-1,4,5,6-tetrahydrocyc...)
Show SMILES CCCCC1Cc2[nH]nc(-c3nnn[nH]3)c2C1
Show InChI InChI=1S/C11H16N6/c1-2-3-4-7-5-8-9(6-7)12-13-10(8)11-14-16-17-15-11/h7H,2-6H2,1H3,(H,12,13)(H,14,15,16,17)
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n/an/a 340n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotinic acid from human GPR109a receptor


Bioorg Med Chem Lett 19: 2121-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.014
BindingDB Entry DOI: 10.7270/Q2G161RV
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50277786
PNG
(5-(2-fluorophenyl)-3-(1H-tetrazol-5-yl)-1,4,5,6-te...)
Show SMILES Fc1ccccc1C1Cc2[nH]nc(c2C1)-c1nnn[nH]1
Show InChI InChI=1S/C13H11FN6/c14-10-4-2-1-3-8(10)7-5-9-11(6-7)15-16-12(9)13-17-19-20-18-13/h1-4,7H,5-6H2,(H,15,16)(H,17,18,19,20)
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n/an/a 410n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotinic acid from human GPR109a receptor


Bioorg Med Chem Lett 19: 2121-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.014
BindingDB Entry DOI: 10.7270/Q2G161RV
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50277710
PNG
(5-phenyl-3-(1H-tetrazol-5-yl)-1,4,5,6-tetrahydrocy...)
Show SMILES C1C(Cc2c1[nH]nc2-c1nnn[nH]1)c1ccccc1
Show InChI InChI=1S/C13H12N6/c1-2-4-8(5-3-1)9-6-10-11(7-9)14-15-12(10)13-16-18-19-17-13/h1-5,9H,6-7H2,(H,14,15)(H,16,17,18,19)
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n/an/a 430n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotinic acid from human GPR109a receptor


Bioorg Med Chem Lett 19: 2121-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.014
BindingDB Entry DOI: 10.7270/Q2G161RV
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Mus musculus)
BDBM50277751
PNG
(5-(3,4-difluorophenyl)-3-(1H-tetrazol-5-yl)-1,4,5,...)
Show SMILES Fc1ccc(cc1F)C1Cc2[nH]nc(c2C1)-c1nnn[nH]1
Show InChI InChI=1S/C13H10F2N6/c14-9-2-1-6(4-10(9)15)7-3-8-11(5-7)16-17-12(8)13-18-20-21-19-13/h1-2,4,7H,3,5H2,(H,16,17)(H,18,19,20,21)
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n/an/a 520n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotinic acid from mouse GPR109a receptor


Bioorg Med Chem Lett 19: 2121-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.014
BindingDB Entry DOI: 10.7270/Q2G161RV
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50277751
PNG
(5-(3,4-difluorophenyl)-3-(1H-tetrazol-5-yl)-1,4,5,...)
Show SMILES Fc1ccc(cc1F)C1Cc2[nH]nc(c2C1)-c1nnn[nH]1
Show InChI InChI=1S/C13H10F2N6/c14-9-2-1-6(4-10(9)15)7-3-8-11(5-7)16-17-12(8)13-18-20-21-19-13/h1-2,4,7H,3,5H2,(H,16,17)(H,18,19,20,21)
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n/an/a 610n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotinic acid from human GPR109a receptor


Bioorg Med Chem Lett 19: 2121-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.014
BindingDB Entry DOI: 10.7270/Q2G161RV
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50277671
PNG
(5-propyl-3-(1H-tetrazol-5-yl)-1,4,5,6-tetrahydrocy...)
Show SMILES CCCC1Cc2[nH]nc(-c3nnn[nH]3)c2C1
Show InChI InChI=1S/C10H14N6/c1-2-3-6-4-7-8(5-6)11-12-9(7)10-13-15-16-14-10/h6H,2-5H2,1H3,(H,11,12)(H,13,14,15,16)
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n/an/a 690n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotinic acid from human GPR109a receptor


Bioorg Med Chem Lett 19: 2121-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.014
BindingDB Entry DOI: 10.7270/Q2G161RV
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50277749
PNG
(5-(2,5-difluorophenyl)-3-(1H-tetrazol-5-yl)-1,4,5,...)
Show SMILES Fc1ccc(F)c(c1)C1Cc2[nH]nc(c2C1)-c1nnn[nH]1
Show InChI InChI=1S/C13H10F2N6/c14-7-1-2-10(15)8(5-7)6-3-9-11(4-6)16-17-12(9)13-18-20-21-19-13/h1-2,5-6H,3-4H2,(H,16,17)(H,18,19,20,21)
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n/an/a 760n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotinic acid from human GPR109a receptor


Bioorg Med Chem Lett 19: 2121-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.014
BindingDB Entry DOI: 10.7270/Q2G161RV
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Mus musculus)
BDBM50277707
PNG
(5-hexyl-3-(1H-tetrazol-5-yl)-1,4,5,6-tetrahydrocyc...)
Show SMILES CCCCCCC1Cc2[nH]nc(-c3nnn[nH]3)c2C1
Show InChI InChI=1S/C13H20N6/c1-2-3-4-5-6-9-7-10-11(8-9)14-15-12(10)13-16-18-19-17-13/h9H,2-8H2,1H3,(H,14,15)(H,16,17,18,19)
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n/an/a 800n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotinic acid from mouse GPR109a receptor


Bioorg Med Chem Lett 19: 2121-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.014
BindingDB Entry DOI: 10.7270/Q2G161RV
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Mus musculus)
BDBM50277749
PNG
(5-(2,5-difluorophenyl)-3-(1H-tetrazol-5-yl)-1,4,5,...)
Show SMILES Fc1ccc(F)c(c1)C1Cc2[nH]nc(c2C1)-c1nnn[nH]1
Show InChI InChI=1S/C13H10F2N6/c14-7-1-2-10(15)8(5-7)6-3-9-11(4-6)16-17-12(9)13-18-20-21-19-13/h1-2,5-6H,3-4H2,(H,16,17)(H,18,19,20,21)
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n/an/a 850n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotinic acid from mouse GPR109a receptor


Bioorg Med Chem Lett 19: 2121-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.014
BindingDB Entry DOI: 10.7270/Q2G161RV
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50277707
PNG
(5-hexyl-3-(1H-tetrazol-5-yl)-1,4,5,6-tetrahydrocyc...)
Show SMILES CCCCCCC1Cc2[nH]nc(-c3nnn[nH]3)c2C1
Show InChI InChI=1S/C13H20N6/c1-2-3-4-5-6-9-7-10-11(8-9)14-15-12(10)13-16-18-19-17-13/h9H,2-8H2,1H3,(H,14,15)(H,16,17,18,19)
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n/an/a 870n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotinic acid from human GPR109a receptor


Bioorg Med Chem Lett 19: 2121-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.014
BindingDB Entry DOI: 10.7270/Q2G161RV
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Mus musculus)
BDBM50273099
PNG
(3-(1H-tetrazol-5-yl)-1,4,5,6-tetrahydrocyclopenta[...)
Show SMILES C1Cc2[nH]nc(c2C1)-c1nnn[nH]1
Show InChI InChI=1S/C7H8N6/c1-2-4-5(3-1)8-9-6(4)7-10-12-13-11-7/h1-3H2,(H,8,9)(H,10,11,12,13)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotinic acid from mouse GPR109a receptor


Bioorg Med Chem Lett 19: 2121-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.014
BindingDB Entry DOI: 10.7270/Q2G161RV
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Mus musculus)
BDBM50277670
PNG
(5-ethyl-3-(1H-tetrazol-5-yl)-1,4,5,6-tetrahydrocyc...)
Show SMILES CCC1Cc2[nH]nc(-c3nnn[nH]3)c2C1
Show InChI InChI=1S/C9H12N6/c1-2-5-3-6-7(4-5)10-11-8(6)9-12-14-15-13-9/h5H,2-4H2,1H3,(H,10,11)(H,12,13,14,15)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotinic acid from mouse GPR109a receptor


Bioorg Med Chem Lett 19: 2121-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.014
BindingDB Entry DOI: 10.7270/Q2G161RV
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50273099
PNG
(3-(1H-tetrazol-5-yl)-1,4,5,6-tetrahydrocyclopenta[...)
Show SMILES C1Cc2[nH]nc(c2C1)-c1nnn[nH]1
Show InChI InChI=1S/C7H8N6/c1-2-4-5(3-1)8-9-6(4)7-10-12-13-11-7/h1-3H2,(H,8,9)(H,10,11,12,13)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotinic acid from human GPR109a receptor


Bioorg Med Chem Lett 19: 2121-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.014
BindingDB Entry DOI: 10.7270/Q2G161RV
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Mus musculus)
BDBM50277748
PNG
(5-(2,4-difluorophenyl)-3-(1H-tetrazol-5-yl)-1,4,5,...)
Show SMILES Fc1ccc(C2Cc3[nH]nc(c3C2)-c2nnn[nH]2)c(F)c1
Show InChI InChI=1S/C13H10F2N6/c14-7-1-2-8(10(15)5-7)6-3-9-11(4-6)16-17-12(9)13-18-20-21-19-13/h1-2,5-6H,3-4H2,(H,16,17)(H,18,19,20,21)
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n/an/a 1.60E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotinic acid from mouse GPR109a receptor


Bioorg Med Chem Lett 19: 2121-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.014
BindingDB Entry DOI: 10.7270/Q2G161RV
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Mus musculus)
BDBM50277747
PNG
(5-(4-fluorophenyl)-3-(1H-tetrazol-5-yl)-1,4,5,6-te...)
Show SMILES Fc1ccc(cc1)C1Cc2[nH]nc(c2C1)-c1nnn[nH]1
Show InChI InChI=1S/C13H11FN6/c14-9-3-1-7(2-4-9)8-5-10-11(6-8)15-16-12(10)13-17-19-20-18-13/h1-4,8H,5-6H2,(H,15,16)(H,17,18,19,20)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotinic acid from mouse GPR109a receptor


Bioorg Med Chem Lett 19: 2121-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.014
BindingDB Entry DOI: 10.7270/Q2G161RV
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50277750
PNG
(5-(2-chlorophenyl)-3-(1H-tetrazol-5-yl)-1,4,5,6-te...)
Show SMILES Clc1ccccc1C1Cc2[nH]nc(c2C1)-c1nnn[nH]1
Show InChI InChI=1S/C13H11ClN6/c14-10-4-2-1-3-8(10)7-5-9-11(6-7)15-16-12(9)13-17-19-20-18-13/h1-4,7H,5-6H2,(H,15,16)(H,17,18,19,20)
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n/an/a 1.90E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotinic acid from human GPR109a receptor


Bioorg Med Chem Lett 19: 2121-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.014
BindingDB Entry DOI: 10.7270/Q2G161RV
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50277748
PNG
(5-(2,4-difluorophenyl)-3-(1H-tetrazol-5-yl)-1,4,5,...)
Show SMILES Fc1ccc(C2Cc3[nH]nc(c3C2)-c2nnn[nH]2)c(F)c1
Show InChI InChI=1S/C13H10F2N6/c14-7-1-2-8(10(15)5-7)6-3-9-11(4-6)16-17-12(9)13-18-20-21-19-13/h1-2,5-6H,3-4H2,(H,16,17)(H,18,19,20,21)
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n/an/a 2.40E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotinic acid from human GPR109a receptor


Bioorg Med Chem Lett 19: 2121-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.014
BindingDB Entry DOI: 10.7270/Q2G161RV
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Mus musculus)
BDBM50277708
PNG
(5-cyclopropyl-3-(1H-tetrazol-5-yl)-1,4,5,6-tetrahy...)
Show SMILES C1CC1C1Cc2[nH]nc(-c3nnn[nH]3)c2C1
Show InChI InChI=1S/C10H12N6/c1-2-5(1)6-3-7-8(4-6)11-12-9(7)10-13-15-16-14-10/h5-6H,1-4H2,(H,11,12)(H,13,14,15,16)
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n/an/a 2.50E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotinic acid from mouse GPR109a receptor


Bioorg Med Chem Lett 19: 2121-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.014
BindingDB Entry DOI: 10.7270/Q2G161RV
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50277709
PNG
(5-cyclopentyl-3-(1H-tetrazol-5-yl)-1,4,5,6-tetrahy...)
Show SMILES C1CCC(C1)C1Cc2[nH]nc(-c3nnn[nH]3)c2C1
Show InChI InChI=1S/C12H16N6/c1-2-4-7(3-1)8-5-9-10(6-8)13-14-11(9)12-15-17-18-16-12/h7-8H,1-6H2,(H,13,14)(H,15,16,17,18)
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n/an/a 2.50E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotinic acid from human GPR109a receptor


Bioorg Med Chem Lett 19: 2121-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.014
BindingDB Entry DOI: 10.7270/Q2G161RV
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50277747
PNG
(5-(4-fluorophenyl)-3-(1H-tetrazol-5-yl)-1,4,5,6-te...)
Show SMILES Fc1ccc(cc1)C1Cc2[nH]nc(c2C1)-c1nnn[nH]1
Show InChI InChI=1S/C13H11FN6/c14-9-3-1-7(2-4-9)8-5-10-11(6-8)15-16-12(10)13-17-19-20-18-13/h1-4,8H,5-6H2,(H,15,16)(H,17,18,19,20)
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n/an/a 2.70E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotinic acid from human GPR109a receptor


Bioorg Med Chem Lett 19: 2121-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.014
BindingDB Entry DOI: 10.7270/Q2G161RV
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Mus musculus)
BDBM50277750
PNG
(5-(2-chlorophenyl)-3-(1H-tetrazol-5-yl)-1,4,5,6-te...)
Show SMILES Clc1ccccc1C1Cc2[nH]nc(c2C1)-c1nnn[nH]1
Show InChI InChI=1S/C13H11ClN6/c14-10-4-2-1-3-8(10)7-5-9-11(6-7)15-16-12(9)13-17-19-20-18-13/h1-4,7H,5-6H2,(H,15,16)(H,17,18,19,20)
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n/an/a 3.10E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotinic acid from mouse GPR109a receptor


Bioorg Med Chem Lett 19: 2121-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.014
BindingDB Entry DOI: 10.7270/Q2G161RV
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Mus musculus)
BDBM50277673
PNG
(5-pentyl-3-(1H-tetrazol-5-yl)-1,4,5,6-tetrahydrocy...)
Show SMILES CCCCCC1Cc2[nH]nc(-c3nnn[nH]3)c2C1
Show InChI InChI=1S/C12H18N6/c1-2-3-4-5-8-6-9-10(7-8)13-14-11(9)12-15-17-18-16-12/h8H,2-7H2,1H3,(H,13,14)(H,15,16,17,18)
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n/an/a 3.60E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotinic acid from mouse GPR109a receptor


Bioorg Med Chem Lett 19: 2121-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.014
BindingDB Entry DOI: 10.7270/Q2G161RV
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Mus musculus)
BDBM50277713
PNG
(5-(4-chlorophenyl)-3-(1H-tetrazol-5-yl)-1,4,5,6-te...)
Show SMILES Clc1ccc(cc1)C1Cc2[nH]nc(c2C1)-c1nnn[nH]1
Show InChI InChI=1S/C13H11ClN6/c14-9-3-1-7(2-4-9)8-5-10-11(6-8)15-16-12(10)13-17-19-20-18-13/h1-4,8H,5-6H2,(H,15,16)(H,17,18,19,20)
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n/an/a 4.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotinic acid from mouse GPR109a receptor


Bioorg Med Chem Lett 19: 2121-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.014
BindingDB Entry DOI: 10.7270/Q2G161RV
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Mus musculus)
BDBM50277712
PNG
(3-(1H-tetrazol-5-yl)-5-o-tolyl-1,4,5,6-tetrahydroc...)
Show SMILES Cc1ccccc1C1Cc2[nH]nc(c2C1)-c1nnn[nH]1
Show InChI InChI=1S/C14H14N6/c1-8-4-2-3-5-10(8)9-6-11-12(7-9)15-16-13(11)14-17-19-20-18-14/h2-5,9H,6-7H2,1H3,(H,15,16)(H,17,18,19,20)
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n/an/a 4.20E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotinic acid from mouse GPR109a receptor


Bioorg Med Chem Lett 19: 2121-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.014
BindingDB Entry DOI: 10.7270/Q2G161RV
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50277670
PNG
(5-ethyl-3-(1H-tetrazol-5-yl)-1,4,5,6-tetrahydrocyc...)
Show SMILES CCC1Cc2[nH]nc(-c3nnn[nH]3)c2C1
Show InChI InChI=1S/C9H12N6/c1-2-5-3-6-7(4-5)10-11-8(6)9-12-14-15-13-9/h5H,2-4H2,1H3,(H,10,11)(H,12,13,14,15)
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n/an/a 4.60E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotinic acid from human GPR109a receptor


Bioorg Med Chem Lett 19: 2121-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.014
BindingDB Entry DOI: 10.7270/Q2G161RV
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50277673
PNG
(5-pentyl-3-(1H-tetrazol-5-yl)-1,4,5,6-tetrahydrocy...)
Show SMILES CCCCCC1Cc2[nH]nc(-c3nnn[nH]3)c2C1
Show InChI InChI=1S/C12H18N6/c1-2-3-4-5-8-6-9-10(7-8)13-14-11(9)12-15-17-18-16-12/h8H,2-7H2,1H3,(H,13,14)(H,15,16,17,18)
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n/an/a 4.80E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotinic acid from human GPR109a receptor


Bioorg Med Chem Lett 19: 2121-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.014
BindingDB Entry DOI: 10.7270/Q2G161RV
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50277713
PNG
(5-(4-chlorophenyl)-3-(1H-tetrazol-5-yl)-1,4,5,6-te...)
Show SMILES Clc1ccc(cc1)C1Cc2[nH]nc(c2C1)-c1nnn[nH]1
Show InChI InChI=1S/C13H11ClN6/c14-9-3-1-7(2-4-9)8-5-10-11(6-8)15-16-12(10)13-17-19-20-18-13/h1-4,8H,5-6H2,(H,15,16)(H,17,18,19,20)
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n/an/a 5.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotinic acid from human GPR109a receptor


Bioorg Med Chem Lett 19: 2121-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.014
BindingDB Entry DOI: 10.7270/Q2G161RV
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50277708
PNG
(5-cyclopropyl-3-(1H-tetrazol-5-yl)-1,4,5,6-tetrahy...)
Show SMILES C1CC1C1Cc2[nH]nc(-c3nnn[nH]3)c2C1
Show InChI InChI=1S/C10H12N6/c1-2-5(1)6-3-7-8(4-6)11-12-9(7)10-13-15-16-14-10/h5-6H,1-4H2,(H,11,12)(H,13,14,15,16)
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n/an/a 5.20E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotinic acid from human GPR109a receptor


Bioorg Med Chem Lett 19: 2121-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.014
BindingDB Entry DOI: 10.7270/Q2G161RV
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50277712
PNG
(3-(1H-tetrazol-5-yl)-5-o-tolyl-1,4,5,6-tetrahydroc...)
Show SMILES Cc1ccccc1C1Cc2[nH]nc(c2C1)-c1nnn[nH]1
Show InChI InChI=1S/C14H14N6/c1-8-4-2-3-5-10(8)9-6-11-12(7-9)15-16-13(11)14-17-19-20-18-14/h2-5,9H,6-7H2,1H3,(H,15,16)(H,17,18,19,20)
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n/an/a 7.70E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotinic acid from human GPR109a receptor


Bioorg Med Chem Lett 19: 2121-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.014
BindingDB Entry DOI: 10.7270/Q2G161RV
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Mus musculus)
BDBM50277709
PNG
(5-cyclopentyl-3-(1H-tetrazol-5-yl)-1,4,5,6-tetrahy...)
Show SMILES C1CCC(C1)C1Cc2[nH]nc(-c3nnn[nH]3)c2C1
Show InChI InChI=1S/C12H16N6/c1-2-4-7(3-1)8-5-9-10(6-8)13-14-11(9)12-15-17-18-16-12/h7-8H,1-6H2,(H,13,14)(H,15,16,17,18)
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n/an/a 9.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotinic acid from mouse GPR109a receptor


Bioorg Med Chem Lett 19: 2121-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.014
BindingDB Entry DOI: 10.7270/Q2G161RV
More data for this
Ligand-Target Pair
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