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BDBM50277707 5-hexyl-3-(1H-tetrazol-5-yl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole::CHEMBL484172

SMILES: CCCCCCC1Cc2[nH]nc(-c3nnn[nH]3)c2C1

InChI Key: InChIKey=VLVVUYMWPUEPKA-UHFFFAOYSA-N

Data: 2 IC50

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50277707   
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


(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)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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
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)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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
More data for this
Ligand-Target Pair