BindingDB BDBM23515 CHEMBL573::Niacin::Nicotinic Acid::[5, 6-3H]-niacin::pyridine-3-carboxylic acid::wampocap

BDBM23515 CHEMBL573::Niacin::Nicotinic Acid::[5, 6-3H]-niacin::pyridine-3-carboxylic acid::wampocap

SMILES OC(=O)c1cccnc1

InChI Key InChIKey=PVNIIMVLHYAWGP-UHFFFAOYSA-N

Data 5 KI 24 IC50 38 EC50

PDB links: 69 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 22 hits for monomerid = 23515

Hydroxycarboxylic acid receptor 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL

BDBM23515(CHEMBL573 | Niacin | Nicotinic Acid | [5, 6-3H]-ni...)

Ki: 82nMAssay Description:Displacement of [3H]NA from cloned human GPR109A receptor expressed in CHO-K1 cells by spectrophotometryMore data for this Ligand-Target Pair

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3D Structure (crystal)

Hydroxycarboxylic acid receptor 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL

BDBM23515(CHEMBL573 | Niacin | Nicotinic Acid | [5, 6-3H]-ni...)

Ki: 104nMAssay Description:Displacement of [3H]NA from cloned human GPR109A receptor expressed in CHO-K1 cells by spectrophotometry in presence of 4% human serum albuminMore data for this Ligand-Target Pair

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3D Structure (crystal)

Hydroxycarboxylic acid receptor 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL

BDBM23515(CHEMBL573 | Niacin | Nicotinic Acid | [5, 6-3H]-ni...)

IC50: 140nM EC50: 1.00E+3nMpH: 7.4 T: 2°CAssay 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 ...More data for this Ligand-Target Pair

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3D Structure (crystal)

Hydroxycarboxylic acid receptor 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL

BDBM23515(CHEMBL573 | Niacin | Nicotinic Acid | [5, 6-3H]-ni...)

EC50: 1.00E+3nMAssay Description:Agonist activity at human GPR106A by [35S]GTPgammaS binding assayMore data for this Ligand-Target Pair

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3D Structure (crystal)

Hydroxycarboxylic acid receptor 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL

BDBM23515(CHEMBL573 | Niacin | Nicotinic Acid | [5, 6-3H]-ni...)

IC50: 140nMAssay Description:Displacement of [3H]niacin from human GPR109AMore data for this Ligand-Target Pair

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3D Structure (crystal)

Hydroxycarboxylic acid receptor 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL

BDBM23515(CHEMBL573 | Niacin | Nicotinic Acid | [5, 6-3H]-ni...)

IC50: 130nMAssay Description:Displacement of [3H]nicotinic acid from human GPR109A receptor expressed in CHO-K1 cellsMore data for this Ligand-Target Pair

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3D Structure (crystal)

Hydroxycarboxylic acid receptor 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL

BDBM23515(CHEMBL573 | Niacin | Nicotinic Acid | [5, 6-3H]-ni...)

EC50: 1.40E+3nMAssay Description:Agonist activity at human GPR109A receptor expressed in CHO-K1 cells by [35S]GTPgammaS guanine nucleotide exchange assayMore data for this Ligand-Target Pair

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3D Structure (crystal)

Hydroxycarboxylic acid receptor 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL

BDBM23515(CHEMBL573 | Niacin | Nicotinic Acid | [5, 6-3H]-ni...)

IC50: 150nMAssay Description:Displacement of [3H]nicotinic acid from human GPR109A receptor expressed in CHO cellsMore data for this Ligand-Target Pair

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3D Structure (crystal)

Hydroxycarboxylic acid receptor 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL

BDBM23515(CHEMBL573 | Niacin | Nicotinic Acid | [5, 6-3H]-ni...)

EC50: 1.00E+3nMAssay Description:Agonist activity at human GPR109A receptor expressed in CHO cells by [35S]GTPgammaS binding assayMore data for this Ligand-Target Pair

PDB Reactome pathway KEGG
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3D Structure (crystal)

Hydroxycarboxylic acid receptor 2(Rattus norvegicus)
Merck Research Laboratories

Curated by ChEMBL

BDBM23515(CHEMBL573 | Niacin | Nicotinic Acid | [5, 6-3H]-ni...)

EC50: 670nMAssay Description:Agonist activity at rat GPR109A expressed by [35S]GTPgammaS binding assayMore data for this Ligand-Target Pair

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3D Structure (crystal)

Hydroxycarboxylic acid receptor 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL

BDBM23515(CHEMBL573 | Niacin | Nicotinic Acid | [5, 6-3H]-ni...)

IC50: 140nMAssay Description:Displacement of [3H]niacin from human GPR109A expressed in CHO cellsMore data for this Ligand-Target Pair

PDB Reactome pathway KEGG
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3D Structure (crystal)

Hydroxycarboxylic acid receptor 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL

BDBM23515(CHEMBL573 | Niacin | Nicotinic Acid | [5, 6-3H]-ni...)

EC50: 1.00E+3nMAssay Description:Agonist activity at human GPR109A expressed in CHOK1 cells by [35S]GTPgammaS binding assayMore data for this Ligand-Target Pair

PDB Reactome pathway KEGG
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3D Structure (crystal)

Hydroxycarboxylic acid receptor 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL

BDBM23515(CHEMBL573 | Niacin | Nicotinic Acid | [5, 6-3H]-ni...)

EC50: 527nMAssay Description:Agonist activity at cloned human GPR109A receptor expressed in CHO-K1 cells by [35S]GTPgammaS binding assayMore data for this Ligand-Target Pair

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3D Structure (crystal)

Hydroxycarboxylic acid receptor 2(Mus musculus)
Merck Research Laboratories

Curated by ChEMBL

BDBM23515(CHEMBL573 | Niacin | Nicotinic Acid | [5, 6-3H]-ni...)

IC50: 140nMAssay Description:Displacement of [3H]nicotinic acid from mouse GPR10a receptorMore data for this Ligand-Target Pair

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3D Structure (crystal)

Hydroxycarboxylic acid receptor 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL

BDBM23515(CHEMBL573 | Niacin | Nicotinic Acid | [5, 6-3H]-ni...)

IC50: 140nMAssay Description:Displacement of [3H]nicotinic acid from human GPR10a receptorMore data for this Ligand-Target Pair

PDB Reactome pathway KEGG
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3D Structure (crystal)

Hydroxycarboxylic acid receptor 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL

BDBM23515(CHEMBL573 | Niacin | Nicotinic Acid | [5, 6-3H]-ni...)

EC50: 1.00E+3nMAssay Description:Displacement of [3H]niacin from GRP109A receptor in presence of 4% human serumMore data for this Ligand-Target Pair

PDB Reactome pathway KEGG
UniProtKB/SwissProt
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3D Structure (crystal)

Hydroxycarboxylic acid receptor 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL

BDBM23515(CHEMBL573 | Niacin | Nicotinic Acid | [5, 6-3H]-ni...)

IC50: 140nMAssay Description:Displacement of [3H]niacin from GRP109A receptorMore data for this Ligand-Target Pair

PDB Reactome pathway KEGG
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3D Structure (crystal)

Hydroxycarboxylic acid receptor 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL

BDBM23515(CHEMBL573 | Niacin | Nicotinic Acid | [5, 6-3H]-ni...)

IC50: 140nMAssay Description:Displacement of [3H]niacin from human niacin receptor expressed in CKO-K1 cells in absence of 5% human serumMore data for this Ligand-Target Pair

PDB Reactome pathway KEGG
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3D Structure (crystal)

Hydroxycarboxylic acid receptor 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL

BDBM23515(CHEMBL573 | Niacin | Nicotinic Acid | [5, 6-3H]-ni...)

IC50: 140nMAssay Description:Displacement of [3H]niacin from human niacin receptor expressed in CKO-K1 cells in presence of 5% human serumMore data for this Ligand-Target Pair

PDB Reactome pathway KEGG
UniProtKB/SwissProt
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3D Structure (crystal)

Hydroxycarboxylic acid receptor 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL

BDBM23515(CHEMBL573 | Niacin | Nicotinic Acid | [5, 6-3H]-ni...)

EC50: 1.00E+3nMAssay Description:Agonist activity at human niacin receptor expressed in CKO-K1 cells by [35S]GTPgammaS binding assayMore data for this Ligand-Target Pair

PDB Reactome pathway KEGG
UniProtKB/SwissProt
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3D Structure (crystal)

Hydroxycarboxylic acid receptor 2(Mus musculus)
Merck Research Laboratories

Curated by ChEMBL

BDBM23515(CHEMBL573 | Niacin | Nicotinic Acid | [5, 6-3H]-ni...)

IC50: 140nMAssay Description:Displacement of [3H]nicotinic acid from mouse GPR109a receptorMore data for this Ligand-Target Pair

PDB Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar

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3D Structure (crystal)

Hydroxycarboxylic acid receptor 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL

BDBM23515(CHEMBL573 | Niacin | Nicotinic Acid | [5, 6-3H]-ni...)

IC50: 140nMAssay Description:Displacement of [3H]nicotinic acid from human GPR109a receptorMore data for this Ligand-Target Pair

PDB Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar

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3D Structure (crystal)

Filter my 66 hits

Targets 10▿
- Hydroxycarboxylic acid receptor 2 55
- Hydroxycarboxylic acid receptor 3 3
- Isochorismatase family protein 1
- Aldehyde oxidase 1 1
- Catalase 1
- Multidrug and toxin extrusion protein 1 1
- Polyphenol oxidase 2 1
- Xanthine dehydrogenase/oxidase 1
- D-aspartate oxidase 1
- D-amino-acid oxidase 1
Publications 34▿
- ACS Med Chem Lett 3: 63-68 (2012) 4
- ACS Med Chem Lett 2: 171-176 (2011) 4
- Eur J Med Chem 152: 208-222 (2018) 4
- J Med Chem 52: 2587-602 (2009) 3
- J Med Chem 53: 2666-70 (2010) 3
- Bioorg Med Chem Lett 19: 4768-72 (2009) 3
- Bioorg Med Chem Lett 30: (2020) 3
- Bioorg Med Chem Lett 17: 5620-3 (2007) 3
- J Agric Food Chem 59: 4860-7 (2011) 3
- Bioorg Med Chem Lett 20: 4472-4 (2010) 2
- Bioorg Med Chem Lett 20: 3372-5 (2010) 2
- Bioorg Med Chem Lett 17: 6723-8 (2008) 2
- Bioorg Med Chem Lett 18: 4948-51 (2008) 2
- Bioorg Med Chem Lett 20: 3426-30 (2010) 2
- Bioorg Med Chem 23: 4013-25 (2015) 2
- J Med Chem 61: 9841-9878 (2018) 2
- J Med Chem 58: 7328-40 (2015) 2
- J Biol Chem 282: 18028-36 (2007) 2
- Bioorg Med Chem Lett 18: 4963-7 (2008) 2
- Bioorg Med Chem Lett 19: 2121-4 (2009) 2
- J Med Chem 46: 3945-51 (2003) 1
- J Med Chem 55: 3644-66 (2012) 1
- J Med Chem 51: 5101-8 (2008) 1
- J Med Chem 59: 1217-31 (2016) 1
- Biochemistry 49: 10421-39 (2010) 1
- Bioorg Med Chem 25: 2351-2371 (2017) 1
- J Med Chem 50: 6303-6 (2007) 1
- Bioorg Med Chem Lett 20: 2797-800 (2010) 1
- Bioorg Med Chem Lett 17: 4914-9 (2007) 1
- Bioorg Med Chem Lett 19: 4207-9 (2009) 1
- Bioorg Med Chem Lett 22: 854-8 (2012) 1
- J Med Chem 56: 781-95 (2013) 1
- ACS Med Chem Lett 3: 637-639 (2012) 1
- J Med Chem 50: 1445-8 (2007) 1
Institutions 15▿
- Merck Research Laboratories 22
- Arena Pharmaceuticals 11
- TBA 9
- University Of California 4
- Csir-Central Drug Research Institute 4
- Daiichi Sankyo 3
- Leiden University 2
- Shanghaitech University 2
- Kitasato University 2
- Merck 2
- Catabasis Pharmaceuticals 1
- University Of Karachi 1
- Leiden/Amsterdam Center For Drug Research 1
- Cornell University 1
- Merck Research Laboratory 1
Affinity: 8.7 to 2.8E+6 nM▿
- Ki 5
- IC50 24
- EC50 38
- Affinity ≤ nM
Xtal structures: 1
Docked structures: 0
Catalog Cmpds: 1