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Compile Data Set for Download or QSAR

Found 331 hits of ic50 for UniProtKB: Q8TDS4   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50342524
PNG
((S)-2-(2-amino-3-(3-(5-hydroxypyridin-2-yl)-1,2,4-...)
Show SMILES N[C@@H](Cc1nc(no1)-c1ccc(O)cn1)C(=O)Nc1ccccc1C(O)=O |r|
Show InChI InChI=1S/C17H15N5O5/c18-11(16(24)20-12-4-2-1-3-10(12)17(25)26)7-14-21-15(22-27-14)13-6-5-9(23)8-19-13/h1-6,8,11,23H,7,18H2,(H,20,24)(H,25,26)/t11-/m0/s1
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n/an/a 1n/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 21: 2721-4 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.116
BindingDB Entry DOI: 10.7270/Q2N29X8C
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM23525
PNG
(2-{3-[2-(2-chloro-4-hydroxyphenyl)-1,3-thiazol-5-y...)
Show SMILES OC(=O)c1ccccc1NC(=O)CCc1cnc(s1)-c1ccc(O)cc1Cl
Show InChI InChI=1S/C19H15ClN2O4S/c20-15-9-11(23)5-7-13(15)18-21-10-12(27-18)6-8-17(24)22-16-4-2-1-3-14(16)19(25)26/h1-5,7,9-10,23H,6,8H2,(H,22,24)(H,25,26)
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n/an/a 1n/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 21: 2721-4 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.116
BindingDB Entry DOI: 10.7270/Q2N29X8C
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50277718
PNG
(2-(3-(7-hydroxypyrazolo[1,5-a]quinolin-3-yl)propan...)
Show SMILES OC(=O)C1=C(CCCC1)NC(=O)CCc1cnn2c1ccc1cc(O)ccc21 |t:3|
Show InChI InChI=1S/C21H21N3O4/c25-15-7-9-18-13(11-15)5-8-19-14(12-22-24(18)19)6-10-20(26)23-17-4-2-1-3-16(17)21(27)28/h5,7-9,11-12,25H,1-4,6,10H2,(H,23,26)(H,27,28)
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n/an/a 1n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]niacin from human GPR109A expressed in CHO cells


J Med Chem 52: 2587-602 (2009)


Article DOI: 10.1021/jm900151e
BindingDB Entry DOI: 10.7270/Q2RJ4JDG
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50277717
PNG
(2-(3-(6-chloro-7-hydroxynaphtho[2,1-d]isoxazol-3-y...)
Show SMILES OC(=O)C1=C(CCCC1)NC(=O)CCc1noc2c1ccc1c(Cl)c(O)ccc21 |t:3|
Show InChI InChI=1S/C21H19ClN2O5/c22-19-11-5-6-13-16(24-29-20(13)12(11)7-9-17(19)25)8-10-18(26)23-15-4-2-1-3-14(15)21(27)28/h5-7,9,25H,1-4,8,10H2,(H,23,26)(H,27,28)
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n/an/a 1n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]niacin from human GPR109A expressed in CHO cells


J Med Chem 52: 2587-602 (2009)


Article DOI: 10.1021/jm900151e
BindingDB Entry DOI: 10.7270/Q2RJ4JDG
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM23525
PNG
(2-{3-[2-(2-chloro-4-hydroxyphenyl)-1,3-thiazol-5-y...)
Show SMILES OC(=O)c1ccccc1NC(=O)CCc1cnc(s1)-c1ccc(O)cc1Cl
Show InChI InChI=1S/C19H15ClN2O4S/c20-15-9-11(23)5-7-13(15)18-21-10-12(27-18)6-8-17(24)22-16-4-2-1-3-14(16)19(25)26/h1-5,7,9-10,23H,6,8H2,(H,22,24)(H,25,26)
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n/an/a 1n/a 6n/an/a7.423



Merck Research Laboratories



Assay Description
Membranes were incubated in binding buffer with [5, 6-3H]-niacin in the presence of test compound. After 4 hours at room temperature, reactions were ...


J Med Chem 50: 6303-6 (2007)


Article DOI: 10.1021/jm700942d
BindingDB Entry DOI: 10.7270/Q29S1PBG
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50313977
PNG
(2-(3-(3-(5-hydroxypyridin-2-yl)-1,2,4-oxadiazol-5-...)
Show SMILES OC(=O)C1=C(CCCC1)NC(=O)CCc1nc(no1)-c1ccc(O)cn1 |t:3|
Show InChI InChI=1S/C17H18N4O5/c22-10-5-6-13(18-9-10)16-20-15(26-21-16)8-7-14(23)19-12-4-2-1-3-11(12)17(24)25/h5-6,9,22H,1-4,7-8H2,(H,19,23)(H,24,25)
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n/an/a 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 21: 2721-4 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.116
BindingDB Entry DOI: 10.7270/Q2N29X8C
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50319102
PNG
(5-(3,5-difluorophenyl)-2-(3-(6-hydroxynaphthalen-2...)
Show SMILES OC(=O)C1=C(CCC(C1)c1cc(F)cc(F)c1)NC(=O)CCc1ccc2cc(O)ccc2c1 |t:3|
Show InChI InChI=1S/C26H23F2NO4/c27-20-10-19(11-21(28)14-20)18-5-7-24(23(13-18)26(32)33)29-25(31)8-2-15-1-3-17-12-22(30)6-4-16(17)9-15/h1,3-4,6,9-12,14,18,30H,2,5,7-8,13H2,(H,29,31)(H,32,33)
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n/an/a 3n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [3H]niacin from human niacin receptor expressed in CHO-KI cells


Bioorg Med Chem Lett 20: 3426-30 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.001
BindingDB Entry DOI: 10.7270/Q2W0963X
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50277715
PNG
(2-(3-(7-hydroxynaphtho[2,1-d]isoxazol-3-yl)propana...)
Show SMILES OC(=O)C1=C(CCCC1)NC(=O)CCc1noc2c1ccc1cc(O)ccc21 |t:3|
Show InChI InChI=1S/C21H20N2O5/c24-13-6-8-14-12(11-13)5-7-15-18(23-28-20(14)15)9-10-19(25)22-17-4-2-1-3-16(17)21(26)27/h5-8,11,24H,1-4,9-10H2,(H,22,25)(H,26,27)
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n/an/a 3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]niacin from human GPR109A expressed in CHO cells


J Med Chem 52: 2587-602 (2009)


Article DOI: 10.1021/jm900151e
BindingDB Entry DOI: 10.7270/Q2RJ4JDG
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50277581
PNG
(2-(3-(7-hydroxynaphtho[2,1-d]isoxazol-3-yl)propana...)
Show SMILES OC(=O)c1ccccc1NC(=O)CCc1noc2c1ccc1cc(O)ccc21
Show InChI InChI=1S/C21H16N2O5/c24-13-6-8-14-12(11-13)5-7-15-18(23-28-20(14)15)9-10-19(25)22-17-4-2-1-3-16(17)21(26)27/h1-8,11,24H,9-10H2,(H,22,25)(H,26,27)
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n/an/a 3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]niacin from human GPR109A expressed in CHO cells


J Med Chem 52: 2587-602 (2009)


Article DOI: 10.1021/jm900151e
BindingDB Entry DOI: 10.7270/Q2RJ4JDG
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM23520
PNG
(2-{3-[4-(2-chloro-4-hydroxyphenyl)phenyl]propanami...)
Show SMILES OC(=O)c1ccccc1NC(=O)CCc1ccc(cc1)-c1ccc(O)cc1Cl
Show InChI InChI=1S/C22H18ClNO4/c23-19-13-16(25)10-11-17(19)15-8-5-14(6-9-15)7-12-21(26)24-20-4-2-1-3-18(20)22(27)28/h1-6,8-11,13,25H,7,12H2,(H,24,26)(H,27,28)
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n/an/a 4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]niacin from GRP109A receptor


Bioorg Med Chem Lett 20: 3372-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.013
BindingDB Entry DOI: 10.7270/Q2C24WM2
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50342525
PNG
((R)-2-(2-amino-3-(3-(5-hydroxypyridin-2-yl)-1,2,4-...)
Show SMILES N[C@H](Cc1nc(no1)-c1ccc(O)cn1)C(=O)Nc1ccccc1C(O)=O |r|
Show InChI InChI=1S/C17H15N5O5/c18-11(16(24)20-12-4-2-1-3-10(12)17(25)26)7-14-21-15(22-27-14)13-6-5-9(23)8-19-13/h1-6,8,11,23H,7,18H2,(H,20,24)(H,25,26)/t11-/m1/s1
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n/an/a 4n/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 21: 2721-4 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.116
BindingDB Entry DOI: 10.7270/Q2N29X8C
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM23520
PNG
(2-{3-[4-(2-chloro-4-hydroxyphenyl)phenyl]propanami...)
Show SMILES OC(=O)c1ccccc1NC(=O)CCc1ccc(cc1)-c1ccc(O)cc1Cl
Show InChI InChI=1S/C22H18ClNO4/c23-19-13-16(25)10-11-17(19)15-8-5-14(6-9-15)7-12-21(26)24-20-4-2-1-3-18(20)22(27)28/h1-6,8-11,13,25H,7,12H2,(H,24,26)(H,27,28)
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n/an/a 4n/a 45n/an/a7.423



Merck Research Laboratories



Assay Description
Membranes were incubated in binding buffer with [5, 6-3H]-niacin in the presence of test compound. After 4 hours at room temperature, reactions were ...


J Med Chem 50: 6303-6 (2007)


Article DOI: 10.1021/jm700942d
BindingDB Entry DOI: 10.7270/Q29S1PBG
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50319109
PNG
(2-(3-(3-(5-hydroxypyridin-2-yl)-1,2,4-oxadiazol-5-...)
Show SMILES CCCC1CCC(NC(=O)CCc2nc(no2)-c2ccc(O)cn2)=C(C1)C(O)=O |c:25|
Show InChI InChI=1S/C20H24N4O5/c1-2-3-12-4-6-15(14(10-12)20(27)28)22-17(26)8-9-18-23-19(24-29-18)16-7-5-13(25)11-21-16/h5,7,11-12,25H,2-4,6,8-10H2,1H3,(H,22,26)(H,27,28)
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n/an/a 4n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [3H]niacin from human niacin receptor expressed in CHO-KI cells


Bioorg Med Chem Lett 20: 3426-30 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.001
BindingDB Entry DOI: 10.7270/Q2W0963X
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50277580
PNG
(2-(3-(7-hydroxy-4,5-dihydronaphtho[2,1-d]isoxazol-...)
Show SMILES OC(=O)c1ccccc1NC(=O)CCc1noc-2c1CCc1cc(O)ccc-21
Show InChI InChI=1S/C21H18N2O5/c24-13-6-8-14-12(11-13)5-7-15-18(23-28-20(14)15)9-10-19(25)22-17-4-2-1-3-16(17)21(26)27/h1-4,6,8,11,24H,5,7,9-10H2,(H,22,25)(H,26,27)
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n/an/a 4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]niacin from human GPR109A expressed in CHO cells


J Med Chem 52: 2587-602 (2009)


Article DOI: 10.1021/jm900151e
BindingDB Entry DOI: 10.7270/Q2RJ4JDG
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50277714
PNG
(2-(3-(7-hydroxy-4,5-dihydronaphtho[2,1-d]isoxazol-...)
Show SMILES OC(=O)C1=C(CCCC1)NC(=O)CCc1noc-2c1CCc1cc(O)ccc-21 |t:3|
Show InChI InChI=1S/C21H22N2O5/c24-13-6-8-14-12(11-13)5-7-15-18(23-28-20(14)15)9-10-19(25)22-17-4-2-1-3-16(17)21(26)27/h6,8,11,24H,1-5,7,9-10H2,(H,22,25)(H,26,27)
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n/an/a 4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]niacin from human GPR109A expressed in CHO cells


J Med Chem 52: 2587-602 (2009)


Article DOI: 10.1021/jm900151e
BindingDB Entry DOI: 10.7270/Q2RJ4JDG
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50313977
PNG
(2-(3-(3-(5-hydroxypyridin-2-yl)-1,2,4-oxadiazol-5-...)
Show SMILES OC(=O)C1=C(CCCC1)NC(=O)CCc1nc(no1)-c1ccc(O)cn1 |t:3|
Show InChI InChI=1S/C17H18N4O5/c22-10-5-6-13(18-9-10)16-20-15(26-21-16)8-7-14(23)19-12-4-2-1-3-11(12)17(24)25/h5-6,9,22H,1-4,7-8H2,(H,19,23)(H,24,25)
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n/an/a 4n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [3H]niacin from human niacin receptor expressed in CHO-KI cells


Bioorg Med Chem Lett 20: 3426-30 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.001
BindingDB Entry DOI: 10.7270/Q2W0963X
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM23533
PNG
(2-{3-[3-(5-hydroxypyridin-2-yl)-1,2,4-oxadiazol-5-...)
Show SMILES OC(=O)c1ccccc1NC(=O)CCc1nc(no1)-c1ccc(O)cn1
Show InChI InChI=1S/C17H14N4O5/c22-10-5-6-13(18-9-10)16-20-15(26-21-16)8-7-14(23)19-12-4-2-1-3-11(12)17(24)25/h1-6,9,22H,7-8H2,(H,19,23)(H,24,25)
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n/an/a 4n/a 27n/an/a7.423



Merck Research Laboratories



Assay Description
Membranes were incubated in binding buffer with [5, 6-3H]-niacin in the presence of test compound. After 4 hours at room temperature, reactions were ...


J Med Chem 50: 6303-6 (2007)


Article DOI: 10.1021/jm700942d
BindingDB Entry DOI: 10.7270/Q29S1PBG
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50319241
PNG
(5-(3,5-difluorophenyl)-2-(3-(1-(5-hydroxypyridin-2...)
Show SMILES CC(Cc1ccn(n1)-c1ccc(O)cn1)C(=O)NC1=C(CC(CC1)c1cc(F)cc(F)c1)C(O)=O |t:20|
Show InChI InChI=1S/C25H24F2N4O4/c1-14(8-19-6-7-31(30-19)23-5-3-20(32)13-28-23)24(33)29-22-4-2-15(11-21(22)25(34)35)16-9-17(26)12-18(27)10-16/h3,5-7,9-10,12-15,32H,2,4,8,11H2,1H3,(H,29,33)(H,34,35)
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n/an/a 5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]niacin from GRP109A receptor


Bioorg Med Chem Lett 20: 3372-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.013
BindingDB Entry DOI: 10.7270/Q2C24WM2
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50319261
PNG
(2-(3-(1-(5-hydroxypyridin-2-yl)-1H-pyrazol-3-yl)pr...)
Show SMILES OC(=O)C1=C(CCCC1)NC(=O)CCc1ccn(n1)-c1ccc(O)cn1 |t:3|
Show InChI InChI=1S/C18H20N4O4/c23-13-6-7-16(19-11-13)22-10-9-12(21-22)5-8-17(24)20-15-4-2-1-3-14(15)18(25)26/h6-7,9-11,23H,1-5,8H2,(H,20,24)(H,25,26)
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n/an/a 5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]niacin from GRP109A receptor


Bioorg Med Chem Lett 20: 3372-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.013
BindingDB Entry DOI: 10.7270/Q2C24WM2
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50277753
PNG
(2-[3-(7-Hydroxy-benzo[d]imidazo[2,1-b]thiazol-2-yl...)
Show SMILES OC(=O)C1=C(CCCC1)NC(=O)CCc1cn2c(n1)sc1cc(O)ccc21 |t:3|
Show InChI InChI=1S/C19H19N3O4S/c23-12-6-7-15-16(9-12)27-19-20-11(10-22(15)19)5-8-17(24)21-14-4-2-1-3-13(14)18(25)26/h6-7,9-10,23H,1-5,8H2,(H,21,24)(H,25,26)
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n/an/a 5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]niacin from human GPR109A expressed in CHO cells


J Med Chem 52: 2587-602 (2009)


Article DOI: 10.1021/jm900151e
BindingDB Entry DOI: 10.7270/Q2RJ4JDG
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50277579
PNG
(2-(3-(7-hydroxy-2H-benzo[g]indazol-3-yl)propanamid...)
Show SMILES OC(=O)c1ccccc1NC(=O)CCc1[nH]nc2c1ccc1cc(O)ccc21
Show InChI InChI=1S/C21H17N3O4/c25-13-6-8-14-12(11-13)5-7-15-18(23-24-20(14)15)9-10-19(26)22-17-4-2-1-3-16(17)21(27)28/h1-8,11,25H,9-10H2,(H,22,26)(H,23,24)(H,27,28)
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n/an/a 5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]niacin from human GPR109A expressed in CHO cells


J Med Chem 52: 2587-602 (2009)


Article DOI: 10.1021/jm900151e
BindingDB Entry DOI: 10.7270/Q2RJ4JDG
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50342527
PNG
((S)-2-(2-amino-3-(3-(5-hydroxypyridin-2-yl)-1,2,4-...)
Show SMILES N[C@@H](Cc1nc(no1)-c1ccc(O)cn1)C(=O)NC1=C(CCCC1)C(O)=O |r,t:20|
Show InChI InChI=1S/C17H19N5O5/c18-11(16(24)20-12-4-2-1-3-10(12)17(25)26)7-14-21-15(22-27-14)13-6-5-9(23)8-19-13/h5-6,8,11,23H,1-4,7,18H2,(H,20,24)(H,25,26)/t11-/m0/s1
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n/an/a 5n/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 21: 2721-4 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.116
BindingDB Entry DOI: 10.7270/Q2N29X8C
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50319123
PNG
((4S,5R)-2-(3-(3-(5-fluoropyridin-2-yl)-1,2,4-oxadi...)
Show SMILES C[C@H]1CC(NC(=O)CCc2nc(no2)-c2ccc(F)cn2)=C(C[C@H]1c1cc(F)cc(F)c1F)C(O)=O |r,c:22|
Show InChI InChI=1S/C24H20F4N4O4/c1-11-6-19(16(24(34)35)9-14(11)15-7-13(26)8-17(27)22(15)28)30-20(33)4-5-21-31-23(32-36-21)18-3-2-12(25)10-29-18/h2-3,7-8,10-11,14H,4-6,9H2,1H3,(H,30,33)(H,34,35)/t11-,14+/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [3H]niacin from human niacin receptor expressed in CHO-KI cells


Bioorg Med Chem Lett 20: 3426-30 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.001
BindingDB Entry DOI: 10.7270/Q2W0963X
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50319247
PNG
(4-(2,3-difluorophenyl)-2-(3-(1-(5-hydroxypyridin-2...)
Show SMILES CC(Cc1ccn(n1)-c1ccc(O)cn1)C(=O)NC1=C(CCC(C1)c1cccc(F)c1F)C(O)=O |t:20|
Show InChI InChI=1S/C25H24F2N4O4/c1-14(11-16-9-10-31(30-16)22-8-6-17(32)13-28-22)24(33)29-21-12-15(5-7-19(21)25(34)35)18-3-2-4-20(26)23(18)27/h2-4,6,8-10,13-15,32H,5,7,11-12H2,1H3,(H,29,33)(H,34,35)
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n/an/a 6n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]niacin from GRP109A receptor


Bioorg Med Chem Lett 20: 3372-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.013
BindingDB Entry DOI: 10.7270/Q2C24WM2
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50319096
PNG
(5-butyl-2-(3-(6-hydroxynaphthalen-2-yl)propanamido...)
Show SMILES CCCCC1CCC(NC(=O)CCc2ccc3cc(O)ccc3c2)=C(C1)C(O)=O |c:25|
Show InChI InChI=1S/C24H29NO4/c1-2-3-4-16-6-11-22(21(14-16)24(28)29)25-23(27)12-7-17-5-8-19-15-20(26)10-9-18(19)13-17/h5,8-10,13,15-16,26H,2-4,6-7,11-12,14H2,1H3,(H,25,27)(H,28,29)
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n/an/a 6n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [3H]niacin from human niacin receptor expressed in CHO-KI cells


Bioorg Med Chem Lett 20: 3426-30 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.001
BindingDB Entry DOI: 10.7270/Q2W0963X
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50277716
PNG
(2-(3-(6-fluoro-7-hydroxynaphtho[2,1-d]isoxazol-3-y...)
Show SMILES OC(=O)C1=C(CCCC1)NC(=O)CCc1noc2c1ccc1c(F)c(O)ccc21 |t:3|
Show InChI InChI=1S/C21H19FN2O5/c22-19-11-5-6-13-16(24-29-20(13)12(11)7-9-17(19)25)8-10-18(26)23-15-4-2-1-3-14(15)21(27)28/h5-7,9,25H,1-4,8,10H2,(H,23,26)(H,27,28)
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n/an/a 6n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]niacin from human GPR109A expressed in CHO cells


J Med Chem 52: 2587-602 (2009)


Article DOI: 10.1021/jm900151e
BindingDB Entry DOI: 10.7270/Q2RJ4JDG
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM23533
PNG
(2-{3-[3-(5-hydroxypyridin-2-yl)-1,2,4-oxadiazol-5-...)
Show SMILES OC(=O)c1ccccc1NC(=O)CCc1nc(no1)-c1ccc(O)cn1
Show InChI InChI=1S/C17H14N4O5/c22-10-5-6-13(18-9-10)16-20-15(26-21-16)8-7-14(23)19-12-4-2-1-3-11(12)17(24)25/h1-6,9,22H,7-8H2,(H,19,23)(H,24,25)
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n/an/a 6n/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 21: 2721-4 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.116
BindingDB Entry DOI: 10.7270/Q2N29X8C
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50319252
PNG
(2-(3-(1-(5-hydroxypyridin-2-yl)-5-methyl-1H-pyrazo...)
Show SMILES Cc1c(CCC(=O)NC2=C(CCCC2)C(O)=O)cnn1-c1ccc(O)cn1 |t:8|
Show InChI InChI=1S/C19H22N4O4/c1-12-13(10-21-23(12)17-8-7-14(24)11-20-17)6-9-18(25)22-16-5-3-2-4-15(16)19(26)27/h7-8,10-11,24H,2-6,9H2,1H3,(H,22,25)(H,26,27)
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n/an/a 7n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]niacin from GRP109A receptor


Bioorg Med Chem Lett 20: 3372-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.013
BindingDB Entry DOI: 10.7270/Q2C24WM2
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50319110
PNG
(5-(3-fluorophenyl)-2-(3-(3-(5-hydroxypyridin-2-yl)...)
Show SMILES OC(=O)C1=C(CCC(C1)c1cccc(F)c1)NC(=O)CCc1nc(no1)-c1ccc(O)cn1 |t:3|
Show InChI InChI=1S/C23H21FN4O5/c24-15-3-1-2-13(10-15)14-4-6-18(17(11-14)23(31)32)26-20(30)8-9-21-27-22(28-33-21)19-7-5-16(29)12-25-19/h1-3,5,7,10,12,14,29H,4,6,8-9,11H2,(H,26,30)(H,31,32)
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n/an/a 7n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [3H]niacin from human niacin receptor expressed in CHO-KI cells


Bioorg Med Chem Lett 20: 3426-30 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.001
BindingDB Entry DOI: 10.7270/Q2W0963X
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50319100
PNG
(5-(3-fluorophenyl)-2-(3-(6-hydroxynaphthalen-2-yl)...)
Show SMILES OC(=O)C1=C(CCC(C1)c1cccc(F)c1)NC(=O)CCc1ccc2cc(O)ccc2c1 |t:3|
Show InChI InChI=1S/C26H24FNO4/c27-21-3-1-2-17(13-21)20-8-10-24(23(15-20)26(31)32)28-25(30)11-5-16-4-6-19-14-22(29)9-7-18(19)12-16/h1-4,6-7,9,12-14,20,29H,5,8,10-11,15H2,(H,28,30)(H,31,32)
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n/an/a 7.40n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [3H]niacin from human niacin receptor expressed in CHO-KI cells


Bioorg Med Chem Lett 20: 3426-30 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.001
BindingDB Entry DOI: 10.7270/Q2W0963X
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM23524
PNG
(2-{3-[5-(2-chloro-4-hydroxyphenyl)thiophen-2-yl]pr...)
Show SMILES OC(=O)c1ccccc1NC(=O)CCc1ccc(s1)-c1ccc(O)cc1Cl
Show InChI InChI=1S/C20H16ClNO4S/c21-16-11-12(23)5-8-14(16)18-9-6-13(27-18)7-10-19(24)22-17-4-2-1-3-15(17)20(25)26/h1-6,8-9,11,23H,7,10H2,(H,22,24)(H,25,26)
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n/an/a 8n/a 77n/an/a7.423



Merck Research Laboratories



Assay Description
Membranes were incubated in binding buffer with [5, 6-3H]-niacin in the presence of test compound. After 4 hours at room temperature, reactions were ...


J Med Chem 50: 6303-6 (2007)


Article DOI: 10.1021/jm700942d
BindingDB Entry DOI: 10.7270/Q29S1PBG
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50277633
PNG
(2-(3-(7-hydroxy-[1,2,3]triazolo[1,5-a]quinolin-3-y...)
Show SMILES OC(=O)c1ccccc1NC(=O)CCc1nnn2c1ccc1cc(O)ccc21
Show InChI InChI=1S/C20H16N4O4/c25-13-6-9-17-12(11-13)5-8-18-16(22-23-24(17)18)7-10-19(26)21-15-4-2-1-3-14(15)20(27)28/h1-6,8-9,11,25H,7,10H2,(H,21,26)(H,27,28)
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n/an/a 8n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]niacin from human GPR109A expressed in CHO cells


J Med Chem 52: 2587-602 (2009)


Article DOI: 10.1021/jm900151e
BindingDB Entry DOI: 10.7270/Q2RJ4JDG
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50319113
PNG
((4S,5R)-5-(3-fluorophenyl)-2-(3-(3-(5-hydroxypyrid...)
Show SMILES C[C@H]1CC(NC(=O)CCc2nc(no2)-c2ccc(O)cn2)=C(C[C@H]1c1cccc(F)c1)C(O)=O |r,c:22|
Show InChI InChI=1S/C24H23FN4O5/c1-13-9-20(18(24(32)33)11-17(13)14-3-2-4-15(25)10-14)27-21(31)7-8-22-28-23(29-34-22)19-6-5-16(30)12-26-19/h2-6,10,12-13,17,30H,7-9,11H2,1H3,(H,27,31)(H,32,33)/t13-,17+/m0/s1
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n/an/a 8n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [3H]niacin from human niacin receptor expressed in CHO-KI cells


Bioorg Med Chem Lett 20: 3426-30 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.001
BindingDB Entry DOI: 10.7270/Q2W0963X
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50319095
PNG
(2-(3-(6-hydroxynaphthalen-2-yl)propanamido)-5-prop...)
Show SMILES CCCC1CCC(NC(=O)CCc2ccc3cc(O)ccc3c2)=C(C1)C(O)=O |c:24|
Show InChI InChI=1S/C23H27NO4/c1-2-3-15-5-10-21(20(13-15)23(27)28)24-22(26)11-6-16-4-7-18-14-19(25)9-8-17(18)12-16/h4,7-9,12,14-15,25H,2-3,5-6,10-11,13H2,1H3,(H,24,26)(H,27,28)
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n/an/a 8n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [3H]niacin from human niacin receptor expressed in CHO-KI cells


Bioorg Med Chem Lett 20: 3426-30 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.001
BindingDB Entry DOI: 10.7270/Q2W0963X
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50271314
PNG
(2-(3-(6-hydroxynaphthalen-2-yl)propanamido)cyclohe...)
Show SMILES OC(=O)C1=C(CCCC1)NC(=O)CCc1ccc2cc(O)ccc2c1 |t:3|
Show InChI InChI=1S/C20H21NO4/c22-16-9-8-14-11-13(5-7-15(14)12-16)6-10-19(23)21-18-4-2-1-3-17(18)20(24)25/h5,7-9,11-12,22H,1-4,6,10H2,(H,21,23)(H,24,25)
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n/an/a 8n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [3H]niacin from human niacin receptor expressed in CHO-KI cells


Bioorg Med Chem Lett 20: 3426-30 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.001
BindingDB Entry DOI: 10.7270/Q2W0963X
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50319101
PNG
(5-(4-fluorophenyl)-2-(3-(6-hydroxynaphthalen-2-yl)...)
Show SMILES OC(=O)C1=C(CCC(C1)c1ccc(F)cc1)NC(=O)CCc1ccc2cc(O)ccc2c1 |t:3|
Show InChI InChI=1S/C26H24FNO4/c27-21-8-4-17(5-9-21)20-7-11-24(23(15-20)26(31)32)28-25(30)12-2-16-1-3-19-14-22(29)10-6-18(19)13-16/h1,3-6,8-10,13-14,20,29H,2,7,11-12,15H2,(H,28,30)(H,31,32)
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n/an/a 8.60n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [3H]niacin from human niacin receptor expressed in CHO-KI cells


Bioorg Med Chem Lett 20: 3426-30 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.001
BindingDB Entry DOI: 10.7270/Q2W0963X
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50319258
PNG
(2-(3-(1-(5-hydroxypyridin-2-yl)-1H-pyrazol-3-yl)-2...)
Show SMILES CCCC1CCC(C(O)=O)=C(C1)NC(=O)C(C)Cc1ccn(n1)-c1ccc(O)cn1 |c:9|
Show InChI InChI=1S/C22H28N4O4/c1-3-4-15-5-7-18(22(29)30)19(12-15)24-21(28)14(2)11-16-9-10-26(25-16)20-8-6-17(27)13-23-20/h6,8-10,13-15,27H,3-5,7,11-12H2,1-2H3,(H,24,28)(H,29,30)
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n/an/a 9n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]niacin from GRP109A receptor


Bioorg Med Chem Lett 20: 3372-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.013
BindingDB Entry DOI: 10.7270/Q2C24WM2
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50319120
PNG
(2-(3-(3-(5-fluoropyridin-2-yl)-1,2,4-oxadiazol-5-y...)
Show SMILES OC(=O)C1=C(CCC(C1)c1cc(F)cc(F)c1F)NC(=O)CCc1nc(no1)-c1ccc(F)cn1 |t:3|
Show InChI InChI=1S/C23H18F4N4O4/c24-12-2-4-18(28-10-12)22-30-20(35-31-22)6-5-19(32)29-17-3-1-11(7-15(17)23(33)34)14-8-13(25)9-16(26)21(14)27/h2,4,8-11H,1,3,5-7H2,(H,29,32)(H,33,34)
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n/an/a 9n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [3H]niacin from human niacin receptor expressed in CHO-KI cells


Bioorg Med Chem Lett 20: 3426-30 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.001
BindingDB Entry DOI: 10.7270/Q2W0963X
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50319111
PNG
(5-(6-fluoropyridin-3-yl)-2-(3-(3-(5-hydroxypyridin...)
Show SMILES OC(=O)C1=C(CCC(C1)c1ccc(F)nc1)NC(=O)CCc1nc(no1)-c1ccc(O)cn1 |t:3|
Show InChI InChI=1S/C22H20FN5O5/c23-18-6-2-13(10-25-18)12-1-4-16(15(9-12)22(31)32)26-19(30)7-8-20-27-21(28-33-20)17-5-3-14(29)11-24-17/h2-3,5-6,10-12,29H,1,4,7-9H2,(H,26,30)(H,31,32)
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n/an/a 9n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [3H]niacin from human niacin receptor expressed in CHO-KI cells


Bioorg Med Chem Lett 20: 3426-30 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.001
BindingDB Entry DOI: 10.7270/Q2W0963X
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM23522
PNG
(2-{3-[4-(5-hydroxypyridin-2-yl)phenyl]propanamido}...)
Show SMILES OC(=O)c1ccccc1NC(=O)CCc1ccc(cc1)-c1ccc(O)cn1
Show InChI InChI=1S/C21H18N2O4/c24-16-10-11-18(22-13-16)15-8-5-14(6-9-15)7-12-20(25)23-19-4-2-1-3-17(19)21(26)27/h1-6,8-11,13,24H,7,12H2,(H,23,25)(H,26,27)
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n/an/a 9n/a 86n/an/a7.423



Merck Research Laboratories



Assay Description
Membranes were incubated in binding buffer with [5, 6-3H]-niacin in the presence of test compound. After 4 hours at room temperature, reactions were ...


J Med Chem 50: 6303-6 (2007)


Article DOI: 10.1021/jm700942d
BindingDB Entry DOI: 10.7270/Q29S1PBG
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50319260
PNG
(2-(3-(1-(5-hydroxypyridin-2-yl)-1H-pyrazol-3-yl)-2...)
Show SMILES CC(Cc1ccn(n1)-c1ccc(O)cn1)C(=O)NC1=C(CCCC1)C(O)=O |t:20|
Show InChI InChI=1S/C19H22N4O4/c1-12(18(25)21-16-5-3-2-4-15(16)19(26)27)10-13-8-9-23(22-13)17-7-6-14(24)11-20-17/h6-9,11-12,24H,2-5,10H2,1H3,(H,21,25)(H,26,27)
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n/an/a 10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]niacin from GRP109A receptor


Bioorg Med Chem Lett 20: 3372-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.013
BindingDB Entry DOI: 10.7270/Q2C24WM2
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM23527
PNG
(2-{3-[3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]pro...)
Show SMILES OC(=O)c1ccccc1NC(=O)CCc1nc(no1)-c1ccc(O)cc1
Show InChI InChI=1S/C18H15N3O5/c22-12-7-5-11(6-8-12)17-20-16(26-21-17)10-9-15(23)19-14-4-2-1-3-13(14)18(24)25/h1-8,22H,9-10H2,(H,19,23)(H,24,25)
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n/an/a 10n/a 120n/an/a7.423



Merck Research Laboratories



Assay Description
Membranes were incubated in binding buffer with [5, 6-3H]-niacin in the presence of test compound. After 4 hours at room temperature, reactions were ...


J Med Chem 50: 6303-6 (2007)


Article DOI: 10.1021/jm700942d
BindingDB Entry DOI: 10.7270/Q29S1PBG
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM23527
PNG
(2-{3-[3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]pro...)
Show SMILES OC(=O)c1ccccc1NC(=O)CCc1nc(no1)-c1ccc(O)cc1
Show InChI InChI=1S/C18H15N3O5/c22-12-7-5-11(6-8-12)17-20-16(26-21-17)10-9-15(23)19-14-4-2-1-3-13(14)18(24)25/h1-8,22H,9-10H2,(H,19,23)(H,24,25)
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n/an/a 10n/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 21: 2721-4 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.116
BindingDB Entry DOI: 10.7270/Q2N29X8C
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50342528
PNG
((R)-2-((S)-2-amino-3-(3-(5-hydroxypyridin-2-yl)-1,...)
Show SMILES C[C@@H]1CCC(C(O)=O)=C(C1)NC(=O)[C@@H](N)Cc1nc(no1)-c1ccc(O)cn1 |r,c:7|
Show InChI InChI=1S/C18H21N5O5/c1-9-2-4-11(18(26)27)14(6-9)21-17(25)12(19)7-15-22-16(23-28-15)13-5-3-10(24)8-20-13/h3,5,8-9,12,24H,2,4,6-7,19H2,1H3,(H,21,25)(H,26,27)/t9-,12+/m1/s1
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n/an/a 11n/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 21: 2721-4 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.116
BindingDB Entry DOI: 10.7270/Q2N29X8C
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50319099
PNG
(5-(2-fluorophenyl)-2-(3-(6-hydroxynaphthalen-2-yl)...)
Show SMILES OC(=O)C1=C(CCC(C1)c1ccccc1F)NC(=O)CCc1ccc2cc(O)ccc2c1 |t:3|
Show InChI InChI=1S/C26H24FNO4/c27-23-4-2-1-3-21(23)19-9-11-24(22(15-19)26(31)32)28-25(30)12-6-16-5-7-18-14-20(29)10-8-17(18)13-16/h1-5,7-8,10,13-14,19,29H,6,9,11-12,15H2,(H,28,30)(H,31,32)
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n/an/a 11n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [3H]niacin from human niacin receptor expressed in CHO-KI cells


Bioorg Med Chem Lett 20: 3426-30 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.001
BindingDB Entry DOI: 10.7270/Q2W0963X
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50277635
PNG
(2-[3-(7-Hydroxy-benzo[d]imidazo[2,1-b]thiazol-2-yl...)
Show SMILES OC(=O)c1ccccc1NC(=O)CCc1cn2c(n1)sc1cc(O)ccc21
Show InChI InChI=1S/C19H15N3O4S/c23-12-6-7-15-16(9-12)27-19-20-11(10-22(15)19)5-8-17(24)21-14-4-2-1-3-13(14)18(25)26/h1-4,6-7,9-10,23H,5,8H2,(H,21,24)(H,25,26)
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n/an/a 11n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]niacin from human GPR109A expressed in CHO cells


J Med Chem 52: 2587-602 (2009)


Article DOI: 10.1021/jm900151e
BindingDB Entry DOI: 10.7270/Q2RJ4JDG
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50319248
PNG
(4-(3-fluorophenyl)-2-(3-(1-(5-hydroxypyridin-2-yl)...)
Show SMILES CC(Cc1ccn(n1)-c1ccc(O)cn1)C(=O)NC1=C(CCC(C1)c1cccc(F)c1)C(O)=O |t:20|
Show InChI InChI=1S/C25H25FN4O4/c1-15(11-19-9-10-30(29-19)23-8-6-20(31)14-27-23)24(32)28-22-13-17(5-7-21(22)25(33)34)16-3-2-4-18(26)12-16/h2-4,6,8-10,12,14-15,17,31H,5,7,11,13H2,1H3,(H,28,32)(H,33,34)
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n/an/a 12n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]niacin from GRP109A receptor


Bioorg Med Chem Lett 20: 3372-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.013
BindingDB Entry DOI: 10.7270/Q2C24WM2
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50319112
PNG
((4S,5R)-2-(3-(3-(5-hydroxypyridin-2-yl)-1,2,4-oxad...)
Show SMILES C[C@H]1CC(NC(=O)CCc2nc(no2)-c2ccc(O)cn2)=C(C[C@H]1c1cc(F)cc(F)c1F)C(O)=O |r,c:22|
Show InChI InChI=1S/C24H21F3N4O5/c1-11-6-19(16(24(34)35)9-14(11)15-7-12(25)8-17(26)22(15)27)29-20(33)4-5-21-30-23(31-36-21)18-3-2-13(32)10-28-18/h2-3,7-8,10-11,14,32H,4-6,9H2,1H3,(H,29,33)(H,34,35)/t11-,14+/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [3H]niacin from human niacin receptor expressed in CHO-KI cells


Bioorg Med Chem Lett 20: 3426-30 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.001
BindingDB Entry DOI: 10.7270/Q2W0963X
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50342520
PNG
((R)-2-((S)-2-amino-3-(3-(5-fluoropyridin-2-yl)-1,2...)
Show SMILES C[C@@H]1CCC(C(O)=O)=C(C1)NC(=O)[C@@H](N)Cc1nc(no1)-c1ccc(F)cn1 |r,c:7|
Show InChI InChI=1S/C18H20FN5O4/c1-9-2-4-11(18(26)27)14(6-9)22-17(25)12(20)7-15-23-16(24-28-15)13-5-3-10(19)8-21-13/h3,5,8-9,12H,2,4,6-7,20H2,1H3,(H,22,25)(H,26,27)/t9-,12+/m1/s1
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n/an/a 12n/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 21: 2721-4 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.116
BindingDB Entry DOI: 10.7270/Q2N29X8C
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50342533
PNG
(2-(3-(7-hydroxy-4,5-dihydropyrazolo[1,5-a]quinolin...)
Show SMILES OC(=O)c1ccccc1NC(=O)CCc1cc2CCc3cc(O)ccc3-n2n1
Show InChI InChI=1S/C21H19N3O4/c25-16-8-9-19-13(11-16)5-7-15-12-14(23-24(15)19)6-10-20(26)22-18-4-2-1-3-17(18)21(27)28/h1-4,8-9,11-12,25H,5-7,10H2,(H,22,26)(H,27,28)
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n/an/a 13n/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 21: 2721-4 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.116
BindingDB Entry DOI: 10.7270/Q2N29X8C
More data for this
Ligand-Target Pair
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