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BDBM50277671 5-propyl-3-(1H-tetrazol-5-yl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole::CHEMBL500239

SMILES: CCCC1Cc2[nH]nc(-c3nnn[nH]3)c2C1

InChI Key: InChIKey=WGXZDWDHFVAHOI-UHFFFAOYSA-N

Data: 2 IC50

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

Found 2 hits for monomerid = 50277671   
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))
BDBM50277671
PNG
(5-propyl-3-(1H-tetrazol-5-yl)-1,4,5,6-tetrahydrocy...)
Show SMILES CCCC1Cc2[nH]nc(-c3nnn[nH]3)c2C1
Show InChI InChI=1S/C10H14N6/c1-2-3-6-4-7-8(5-6)11-12-9(7)10-13-15-16-14-10/h6H,2-5H2,1H3,(H,11,12)(H,13,14,15,16)
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PC sid
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Similars

Article
PubMed
n/an/a 690n/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
BindingDB Entry DOI: 10.7270/Q2G161RV
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Mus musculus)
BDBM50277671
PNG
(5-propyl-3-(1H-tetrazol-5-yl)-1,4,5,6-tetrahydrocy...)
Show SMILES CCCC1Cc2[nH]nc(-c3nnn[nH]3)c2C1
Show InChI InChI=1S/C10H14N6/c1-2-3-6-4-7-8(5-6)11-12-9(7)10-13-15-16-14-10/h6H,2-5H2,1H3,(H,11,12)(H,13,14,15,16)
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 260n/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
BindingDB Entry DOI: 10.7270/Q2G161RV
More data for this
Ligand-Target Pair