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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Hydroxycarboxylic acid receptor 2' and Ligand = 'BDBM50277672'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Hydroxycarboxylic acid receptor 2


(Mus musculus)
BDBM50277672
PNG
(5-butyl-3-(1H-tetrazol-5-yl)-1,4,5,6-tetrahydrocyc...)
Show SMILES CCCCC1Cc2[nH]nc(-c3nnn[nH]3)c2C1
Show InChI InChI=1S/C11H16N6/c1-2-3-4-7-5-8-9(6-7)12-13-10(8)11-14-16-17-15-11/h7H,2-6H2,1H3,(H,12,13)(H,14,15,16,17)
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 60n/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))
BDBM50277672
PNG
(5-butyl-3-(1H-tetrazol-5-yl)-1,4,5,6-tetrahydrocyc...)
Show SMILES CCCCC1Cc2[nH]nc(-c3nnn[nH]3)c2C1
Show InChI InChI=1S/C11H16N6/c1-2-3-4-7-5-8-9(6-7)12-13-10(8)11-14-16-17-15-11/h7H,2-6H2,1H3,(H,12,13)(H,14,15,16,17)
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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 80n/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
Hydroxycarboxylic acid receptor 2


(Mus musculus)
BDBM50277672
PNG
(5-butyl-3-(1H-tetrazol-5-yl)-1,4,5,6-tetrahydrocyc...)
Show SMILES CCCCC1Cc2[nH]nc(-c3nnn[nH]3)c2C1
Show InChI InChI=1S/C11H16N6/c1-2-3-4-7-5-8-9(6-7)12-13-10(8)11-14-16-17-15-11/h7H,2-6H2,1H3,(H,12,13)(H,14,15,16,17)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 210n/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))
BDBM50277672
PNG
(5-butyl-3-(1H-tetrazol-5-yl)-1,4,5,6-tetrahydrocyc...)
Show SMILES CCCCC1Cc2[nH]nc(-c3nnn[nH]3)c2C1
Show InChI InChI=1S/C11H16N6/c1-2-3-4-7-5-8-9(6-7)12-13-10(8)11-14-16-17-15-11/h7H,2-6H2,1H3,(H,12,13)(H,14,15,16,17)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 340n/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