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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Hydroxycarboxylic acid receptor 2' and Ligand = 'BDBM50337024'   
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))
BDBM50337024
PNG
(2-(difluoromethyl)-5-(3-(1-methylcyclopropyl)propy...)
Show SMILES CC1(CCCc2cc(=O)oc3nc([nH]c(=O)c23)C(F)F)CC1
Show InChI InChI=1S/C15H16F2N2O3/c1-15(5-6-15)4-2-3-8-7-9(20)22-14-10(8)13(21)18-12(19-14)11(16)17/h7,11H,2-6H2,1H3,(H,18,19,21)
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Article
PubMed
n/an/an/an/a 49n/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-stimulated cAMP accumulation


ACS Med Chem Lett 2: 171-176 (2011)


Article DOI: 10.1021/ml100251u
BindingDB Entry DOI: 10.7270/Q2DZ08KX
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Rattus norvegicus)
BDBM50337024
PNG
(2-(difluoromethyl)-5-(3-(1-methylcyclopropyl)propy...)
Show SMILES CC1(CCCc2cc(=O)oc3nc([nH]c(=O)c23)C(F)F)CC1
Show InChI InChI=1S/C15H16F2N2O3/c1-15(5-6-15)4-2-3-8-7-9(20)22-14-10(8)13(21)18-12(19-14)11(16)17/h7,11H,2-6H2,1H3,(H,18,19,21)
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Article
PubMed
n/an/an/an/a 6n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at rat GPR109a


ACS Med Chem Lett 2: 171-176 (2011)


Article DOI: 10.1021/ml100251u
BindingDB Entry DOI: 10.7270/Q2DZ08KX
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Mus musculus)
BDBM50337024
PNG
(2-(difluoromethyl)-5-(3-(1-methylcyclopropyl)propy...)
Show SMILES CC1(CCCc2cc(=O)oc3nc([nH]c(=O)c23)C(F)F)CC1
Show InChI InChI=1S/C15H16F2N2O3/c1-15(5-6-15)4-2-3-8-7-9(20)22-14-10(8)13(21)18-12(19-14)11(16)17/h7,11H,2-6H2,1H3,(H,18,19,21)
PDB

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KEGG

UniProtKB/SwissProt

GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a 15n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at mouse GPR109a


ACS Med Chem Lett 2: 171-176 (2011)


Article DOI: 10.1021/ml100251u
BindingDB Entry DOI: 10.7270/Q2DZ08KX
More data for this
Ligand-Target Pair