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Compile Data Set for Download or QSAR

Found 81 hits with Last Name = 'gerard waters' and Initial = 'm'   
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))
BDBM50298000
PNG
((+/-)-5-(2,3,5-trifluorophenyl)-4,5,6,7-tetrahydro...)
Show SMILES OC(=O)c1n[nH]c2CCC(Cc12)c1cc(F)cc(F)c1F
Show InChI InChI=1S/C14H11F3N2O2/c15-7-4-8(12(17)10(16)5-7)6-1-2-11-9(3-6)13(14(20)21)19-18-11/h4-6H,1-3H2,(H,18,19)(H,20,21)
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n/an/a 67n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]niacin from human niacin receptor expressed in CKO-K1 cells in absence of 5% human serum


Bioorg Med Chem Lett 19: 4768-72 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.054
BindingDB Entry DOI: 10.7270/Q2M909M3
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


(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))
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


(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))
BDBM50297999
PNG
((+/-)-5-(2,5-difluorophenyl)-4,5,6,7-tetrahydro-1H...)
Show SMILES OC(=O)c1n[nH]c2CCC(Cc12)c1cc(F)ccc1F
Show InChI InChI=1S/C14H12F2N2O2/c15-8-2-3-11(16)9(6-8)7-1-4-12-10(5-7)13(14(19)20)18-17-12/h2-3,6-7H,1,4-5H2,(H,17,18)(H,19,20)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]niacin from human niacin receptor expressed in CKO-K1 cells in absence of 5% human serum


Bioorg Med Chem Lett 19: 4768-72 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.054
BindingDB Entry DOI: 10.7270/Q2M909M3
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]niacin from human niacin receptor expressed in CKO-K1 cells in absence of 5% human serum


Bioorg Med Chem Lett 19: 4768-72 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.054
BindingDB Entry DOI: 10.7270/Q2M909M3
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]niacin from human niacin receptor expressed in CKO-K1 cells in presence of 5% human serum


Bioorg Med Chem Lett 19: 4768-72 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.054
BindingDB Entry DOI: 10.7270/Q2M909M3
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


(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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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))
BDBM50378119
PNG
(CHEMBL1204125)
Show SMILES Fc1ncccc1C1CCC2=C(C1)C(N=N2)=C1N=NN=N1 |c:11,16,20,22|
Show InChI InChI=1S/C13H10FN7/c14-12-8(2-1-5-15-12)7-3-4-10-9(6-7)11(17-16-10)13-18-20-21-19-13/h1-2,5,7H,3-4,6H2
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]niacin from human niacin receptor expressed in CKO-K1 cells in absence of 5% human serum


Bioorg Med Chem Lett 19: 4768-72 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.054
BindingDB Entry DOI: 10.7270/Q2M909M3
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50378119
PNG
(CHEMBL1204125)
Show SMILES Fc1ncccc1C1CCC2=C(C1)C(N=N2)=C1N=NN=N1 |c:11,16,20,22|
Show InChI InChI=1S/C13H10FN7/c14-12-8(2-1-5-15-12)7-3-4-10-9(6-7)11(17-16-10)13-18-20-21-19-13/h1-2,5,7H,3-4,6H2
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n/an/a 150n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]niacin from human niacin receptor expressed in CKO-K1 cells in presence of 5% human serum


Bioorg Med Chem Lett 19: 4768-72 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.054
BindingDB Entry DOI: 10.7270/Q2M909M3
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50298002
PNG
((+/-)-5-(2,5-difluorophenyl)-3-(1H-tetrazol-5-yl)-...)
Show SMILES Fc1ccc(F)c(c1)C1CCc2[nH]nc(c2C1)-c1nnn[nH]1
Show InChI InChI=1S/C14H12F2N6/c15-8-2-3-11(16)9(6-8)7-1-4-12-10(5-7)13(18-17-12)14-19-21-22-20-14/h2-3,6-7H,1,4-5H2,(H,17,18)(H,19,20,21,22)
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n/an/a 150n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]niacin from human niacin receptor expressed in CKO-K1 cells in absence of 5% human serum


Bioorg Med Chem Lett 19: 4768-72 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.054
BindingDB Entry DOI: 10.7270/Q2M909M3
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50298001
PNG
((+/-)-5-(2-fluoropyridin-3-yl)-4,5,6,7-tetrahydro-...)
Show SMILES OC(=O)c1n[nH]c2CCC(Cc12)c1cccnc1F
Show InChI InChI=1S/C13H12FN3O2/c14-12-8(2-1-5-15-12)7-3-4-10-9(6-7)11(13(18)19)17-16-10/h1-2,5,7H,3-4,6H2,(H,16,17)(H,18,19)
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n/an/a 200n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]niacin from human niacin receptor expressed in CKO-K1 cells in absence of 5% human serum


Bioorg Med Chem Lett 19: 4768-72 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.054
BindingDB Entry DOI: 10.7270/Q2M909M3
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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n/an/a 210n/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))
BDBM50297999
PNG
((+/-)-5-(2,5-difluorophenyl)-4,5,6,7-tetrahydro-1H...)
Show SMILES OC(=O)c1n[nH]c2CCC(Cc12)c1cc(F)ccc1F
Show InChI InChI=1S/C14H12F2N2O2/c15-8-2-3-11(16)9(6-8)7-1-4-12-10(5-7)13(14(19)20)18-17-12/h2-3,6-7H,1,4-5H2,(H,17,18)(H,19,20)
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n/an/a 220n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]niacin from human niacin receptor expressed in CKO-K1 cells in absence of 5% human serum


Bioorg Med Chem Lett 19: 4768-72 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.054
BindingDB Entry DOI: 10.7270/Q2M909M3
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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n/an/a 260n/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))
BDBM50297995
PNG
((+/-)-5-(2-fluorophenyl)-4,5,6,7-tetrahydro-1H-ind...)
Show SMILES OC(=O)c1n[nH]c2CCC(Cc12)c1ccccc1F
Show InChI InChI=1S/C14H13FN2O2/c15-11-4-2-1-3-9(11)8-5-6-12-10(7-8)13(14(18)19)17-16-12/h1-4,8H,5-7H2,(H,16,17)(H,18,19)
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n/an/a 270n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]niacin from human niacin receptor expressed in CKO-K1 cells in absence of 5% human serum


Bioorg Med Chem Lett 19: 4768-72 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.054
BindingDB Entry DOI: 10.7270/Q2M909M3
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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n/an/a 290n/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)
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 310n/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))
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


(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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n/an/a 340n/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))
BDBM50298001
PNG
((+/-)-5-(2-fluoropyridin-3-yl)-4,5,6,7-tetrahydro-...)
Show SMILES OC(=O)c1n[nH]c2CCC(Cc12)c1cccnc1F
Show InChI InChI=1S/C13H12FN3O2/c14-12-8(2-1-5-15-12)7-3-4-10-9(6-7)11(13(18)19)17-16-10/h1-2,5,7H,3-4,6H2,(H,16,17)(H,18,19)
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n/an/a 370n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]niacin from human niacin receptor expressed in CKO-K1 cells in presence of 5% human serum


Bioorg Med Chem Lett 19: 4768-72 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.054
BindingDB Entry DOI: 10.7270/Q2M909M3
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50297999
PNG
((+/-)-5-(2,5-difluorophenyl)-4,5,6,7-tetrahydro-1H...)
Show SMILES OC(=O)c1n[nH]c2CCC(Cc12)c1cc(F)ccc1F
Show InChI InChI=1S/C14H12F2N2O2/c15-8-2-3-11(16)9(6-8)7-1-4-12-10(5-7)13(14(19)20)18-17-12/h2-3,6-7H,1,4-5H2,(H,17,18)(H,19,20)
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n/an/a 400n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]niacin from human niacin receptor expressed in CKO-K1 cells in presence of 5% human serum


Bioorg Med Chem Lett 19: 4768-72 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.054
BindingDB Entry DOI: 10.7270/Q2M909M3
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


(Homo sapiens (Human))
BDBM50297997
PNG
((+/-)-5-(2-chlorophenyl)-4,5,6,7-tetrahydro-1H-ind...)
Show SMILES OC(=O)c1n[nH]c2CCC(Cc12)c1ccccc1Cl
Show InChI InChI=1S/C14H13ClN2O2/c15-11-4-2-1-3-9(11)8-5-6-12-10(7-8)13(14(18)19)17-16-12/h1-4,8H,5-7H2,(H,16,17)(H,18,19)
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n/an/a 460n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]niacin from human niacin receptor expressed in CKO-K1 cells in absence of 5% human serum


Bioorg Med Chem Lett 19: 4768-72 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.054
BindingDB Entry DOI: 10.7270/Q2M909M3
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50298003
PNG
((+/-)-5-(2-fluoropyridin-3-yl)-3-(1H-tetrazol-5-yl...)
Show SMILES Fc1ncccc1C1CCc2[nH]nc(-c3nnn[nH]3)c2C1
Show InChI InChI=1S/C13H12FN7/c14-12-8(2-1-5-15-12)7-3-4-10-9(6-7)11(17-16-10)13-18-20-21-19-13/h1-2,5,7H,3-4,6H2,(H,16,17)(H,18,19,20,21)
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n/an/a 500n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]niacin from human niacin receptor expressed in CKO-K1 cells in absence of 5% human serum


Bioorg Med Chem Lett 19: 4768-72 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.054
BindingDB Entry DOI: 10.7270/Q2M909M3
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))
BDBM50298001
PNG
((+/-)-5-(2-fluoropyridin-3-yl)-4,5,6,7-tetrahydro-...)
Show SMILES OC(=O)c1n[nH]c2CCC(Cc12)c1cccnc1F
Show InChI InChI=1S/C13H12FN3O2/c14-12-8(2-1-5-15-12)7-3-4-10-9(6-7)11(13(18)19)17-16-10/h1-2,5,7H,3-4,6H2,(H,16,17)(H,18,19)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]niacin from human niacin receptor expressed in CKO-K1 cells in absence of 5% human serum


Bioorg Med Chem Lett 19: 4768-72 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.054
BindingDB Entry DOI: 10.7270/Q2M909M3
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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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


(Homo sapiens (Human))
BDBM50298001
PNG
((+/-)-5-(2-fluoropyridin-3-yl)-4,5,6,7-tetrahydro-...)
Show SMILES OC(=O)c1n[nH]c2CCC(Cc12)c1cccnc1F
Show InChI InChI=1S/C13H12FN3O2/c14-12-8(2-1-5-15-12)7-3-4-10-9(6-7)11(13(18)19)17-16-10/h1-2,5,7H,3-4,6H2,(H,16,17)(H,18,19)
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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]niacin from human niacin receptor expressed in CKO-K1 cells in presence of 5% human serum


Bioorg Med Chem Lett 19: 4768-72 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.054
BindingDB Entry DOI: 10.7270/Q2M909M3
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
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