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BDBM50211363 3-isopropyl-1H-pyrazole-5-carboxylic acid::5-Isopropyl-1H-pyrazole-3-carboxylic acid::5-isopropyl-3-carboxyl-pyrazole::CHEMBL238002

SMILES: CC(C)c1cc(n[nH]1)C(O)=O

InChI Key: InChIKey=CHWXKAHFWLSLOQ-UHFFFAOYSA-N

Data: 1 KI  1 IC50  4 EC50

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 6 hits for monomerid = 50211363   
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


(Rattus norvegicus)
BDBM50211363
PNG
(3-isopropyl-1H-pyrazole-5-carboxylic acid | 5-Isop...)
Show SMILES CC(C)c1cc(n[nH]1)C(O)=O
Show InChI InChI=1S/C7H10N2O2/c1-4(2)5-3-6(7(10)11)9-8-5/h3-4H,1-2H3,(H,8,9)(H,10,11)
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PubMed
683n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]-nicotinic acid (20 nM) binding to nicotinic acid receptor in rat spleen membrane.


J Med Chem 46: 3945-51 (2003)


Article DOI: 10.1021/jm030888c
BindingDB Entry DOI: 10.7270/Q2V988TK
More data for this
Ligand-Target Pair
HM74 nicotinic acid GPCR


(Homo sapiens (Human))
BDBM50211363
PNG
(3-isopropyl-1H-pyrazole-5-carboxylic acid | 5-Isop...)
Show SMILES CC(C)c1cc(n[nH]1)C(O)=O
Show InChI InChI=1S/C7H10N2O2/c1-4(2)5-3-6(7(10)11)9-8-5/h3-4H,1-2H3,(H,8,9)(H,10,11)
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n/an/an/an/a 4.17E+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))
BDBM50211363
PNG
(3-isopropyl-1H-pyrazole-5-carboxylic acid | 5-Isop...)
Show SMILES CC(C)c1cc(n[nH]1)C(O)=O
Show InChI InChI=1S/C7H10N2O2/c1-4(2)5-3-6(7(10)11)9-8-5/h3-4H,1-2H3,(H,8,9)(H,10,11)
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n/an/a 2.60E+3n/an/an/an/an/an/a



Arena Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at GPR109A receptor expressed in CHOK1 cells assessed as inhibition of forskolin-induced intracellular cAMP production by Flashplate...


J Biol Chem 282: 18028-36 (2007)


Article DOI: 10.1074/jbc.M701866200
BindingDB Entry DOI: 10.7270/Q2BV7HJC
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50211363
PNG
(3-isopropyl-1H-pyrazole-5-carboxylic acid | 5-Isop...)
Show SMILES CC(C)c1cc(n[nH]1)C(O)=O
Show InChI InChI=1S/C7H10N2O2/c1-4(2)5-3-6(7(10)11)9-8-5/h3-4H,1-2H3,(H,8,9)(H,10,11)
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n/an/an/an/a 8.30E+3n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human cloned GPR109a receptor by forskolin-stimulated cAMP production test


Bioorg Med Chem Lett 17: 4914-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.028
BindingDB Entry DOI: 10.7270/Q2NP244M
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50211363
PNG
(3-isopropyl-1H-pyrazole-5-carboxylic acid | 5-Isop...)
Show SMILES CC(C)c1cc(n[nH]1)C(O)=O
Show InChI InChI=1S/C7H10N2O2/c1-4(2)5-3-6(7(10)11)9-8-5/h3-4H,1-2H3,(H,8,9)(H,10,11)
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CHEMBL
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UniChem

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Article
PubMed
n/an/an/an/a 110n/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))
BDBM50211363
PNG
(3-isopropyl-1H-pyrazole-5-carboxylic acid | 5-Isop...)
Show SMILES CC(C)c1cc(n[nH]1)C(O)=O
Show InChI InChI=1S/C7H10N2O2/c1-4(2)5-3-6(7(10)11)9-8-5/h3-4H,1-2H3,(H,8,9)(H,10,11)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 110n/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