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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  22 IC50  37 EC50

PDB links: 32 PDB IDs match this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 63 hits for monomerid = 23515   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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/an/an/a 21n/an/an/an/a



CSIR-Central Drug Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human GPR109a expressed in HEK293 cells harboring glosensor-22F cAMP plasmid DNA assessed as inhibition of forskolin-stimulated c...


Eur J Med Chem 152: 208-222 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.037
BindingDB Entry DOI: 10.7270/Q2B27XT0
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 249n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]-nicotinic acid from N-flag-tagged human HCA2 receptor expressed in HEK293T cell membranes by scintillation counting analysis


Bioorg Med Chem 23: 4013-25 (2015)


Article DOI: 10.1016/j.bmc.2015.02.018
BindingDB Entry DOI: 10.7270/Q22N558B
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/an/an/a 47n/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Agonist activity at HCA2 receptor (unknown origin) expressed in CHOK1 cells assessed as ERK1/2 phosphorylation by ELISA


Bioorg Med Chem 23: 4013-25 (2015)


Article DOI: 10.1016/j.bmc.2015.02.018
BindingDB Entry DOI: 10.7270/Q22N558B
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
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>1.00E+6n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Agaricus bisporus (mushroom) tyrosinase


J Agric Food Chem 59: 4860-7 (2011)


Article DOI: 10.1021/jf200485k
BindingDB Entry DOI: 10.7270/Q2QF8WR8
More data for this
Ligand-Target Pair
Aldehyde oxidase


(Oryctolagus cuniculus)
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>1.00E+6n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Oryctolagus cuniculus (rabbit) AOX in liver cytosol


J Agric Food Chem 59: 4860-7 (2011)


Article DOI: 10.1021/jf200485k
BindingDB Entry DOI: 10.7270/Q2QF8WR8
More data for this
Ligand-Target Pair
Catalase


(Bos taurus)
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>1.00E+6n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Bos taurus (bovine) CAT in liver


J Agric Food Chem 59: 4860-7 (2011)


Article DOI: 10.1021/jf200485k
BindingDB Entry DOI: 10.7270/Q2QF8WR8
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/an/an/a 1.5n/an/an/an/a



ShanghaiTech University

Curated by ChEMBL


Assay Description
Agonist activity at GPR109A (unknown origin) assessed as effect on beta-arrestin2 conformational changes


J Med Chem 61: 9841-9878 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00435
More data for this
Ligand-Target Pair
HM74 nicotinic acid GPCR


(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/an/an/a>1.00E+4n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human GPR109b


ACS Med Chem Lett 2: 171-176 (2011)


Article DOI: 10.1021/ml100251u
BindingDB Entry DOI: 10.7270/Q2DZ08KX
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/an/an/a 8.70n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human GPR109a expressed in human adipocytes assessed as decrease in intracellular cAMP level by HTRF assay


Bioorg Med Chem Lett 17: 5620-3 (2007)

Checked by Author
Article DOI: 10.1016/j.bmcl.2007.07.101
BindingDB Entry DOI: 10.7270/Q2TT4QN2
More data for this
Ligand-Target Pair
HM74 nicotinic acid GPCR


(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/an/an/a 7.59E+4n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human GPR109b expressed in human adipocytes assessed as decrease in intracellular cAMP level by HTRF assay


Bioorg Med Chem Lett 17: 5620-3 (2007)

Checked by Author
Article DOI: 10.1016/j.bmcl.2007.07.101
BindingDB Entry DOI: 10.7270/Q2TT4QN2
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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Article
PubMed
n/an/an/an/a 8.70n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human GPR109a expressed in human adipocytes assessed as decrease in intracellular cAMP level by HTRF assay


Bioorg Med Chem Lett 17: 5620-3 (2007)

Checked by Author
Article DOI: 10.1016/j.bmcl.2007.07.101
BindingDB Entry DOI: 10.7270/Q2TT4QN2
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/a 1.00E+3n/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))
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/an/an/a 100n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant GPR109a expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation


ACS Med Chem Lett 2: 171-176 (2011)


Article DOI: 10.1021/ml100251u
BindingDB Entry DOI: 10.7270/Q2DZ08KX
More data for this
Ligand-Target Pair
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