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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 = 'BDBM50384616'   
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


(Homo sapiens (Human))
BDBM50384616
PNG
(CHEMBL2036813)
Show SMILES CCCCc1cc(=O)oc2[nH]c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C11H12N2O4/c1-2-3-4-6-5-7(14)17-10-8(6)9(15)12-11(16)13-10/h5H,2-4H2,1H3,(H2,12,13,15,16)
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Article
PubMed
n/an/an/an/a 17n/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-induced cAMP accumulation


ACS Med Chem Lett 3: 63-68 (2012)


Article DOI: 10.1021/ml200243g
BindingDB Entry DOI: 10.7270/Q29K4C8X
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50384616
PNG
(CHEMBL2036813)
Show SMILES CCCCc1cc(=O)oc2[nH]c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C11H12N2O4/c1-2-3-4-6-5-7(14)17-10-8(6)9(15)12-11(16)13-10/h5H,2-4H2,1H3,(H2,12,13,15,16)
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n/an/an/an/a 51n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Mus musculus)
BDBM50384616
PNG
(CHEMBL2036813)
Show SMILES CCCCc1cc(=O)oc2[nH]c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C11H12N2O4/c1-2-3-4-6-5-7(14)17-10-8(6)9(15)12-11(16)13-10/h5H,2-4H2,1H3,(H2,12,13,15,16)
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Article
PubMed
n/an/an/an/a 12n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at mouse GPR109a


ACS Med Chem Lett 3: 63-68 (2012)


Article DOI: 10.1021/ml200243g
BindingDB Entry DOI: 10.7270/Q29K4C8X
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Rattus norvegicus)
BDBM50384616
PNG
(CHEMBL2036813)
Show SMILES CCCCc1cc(=O)oc2[nH]c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C11H12N2O4/c1-2-3-4-6-5-7(14)17-10-8(6)9(15)12-11(16)13-10/h5H,2-4H2,1H3,(H2,12,13,15,16)
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Article
PubMed
n/an/an/an/a 8n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at rat GPR109a


ACS Med Chem Lett 3: 63-68 (2012)


Article DOI: 10.1021/ml200243g
BindingDB Entry DOI: 10.7270/Q29K4C8X
More data for this
Ligand-Target Pair