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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 = 'BDBM50337038'   
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))
BDBM50337038
PNG
(5-(3-cyclopropylpropyl)-2-(difluoromethyl)-3H-pyra...)
Show SMILES FC(F)c1nc2oc(=O)cc(CCCC3CC3)c2c(=O)[nH]1
Show InChI InChI=1S/C14H14F2N2O3/c15-11(16)12-17-13(20)10-8(3-1-2-7-4-5-7)6-9(19)21-14(10)18-12/h6-7,11H,1-5H2,(H,17,18,20)
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Article
PubMed
n/an/an/an/a 59n/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)
BDBM50337038
PNG
(5-(3-cyclopropylpropyl)-2-(difluoromethyl)-3H-pyra...)
Show SMILES FC(F)c1nc2oc(=O)cc(CCCC3CC3)c2c(=O)[nH]1
Show InChI InChI=1S/C14H14F2N2O3/c15-11(16)12-17-13(20)10-8(3-1-2-7-4-5-7)6-9(19)21-14(10)18-12/h6-7,11H,1-5H2,(H,17,18,20)
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Article
PubMed
n/an/an/an/a 3n/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)
BDBM50337038
PNG
(5-(3-cyclopropylpropyl)-2-(difluoromethyl)-3H-pyra...)
Show SMILES FC(F)c1nc2oc(=O)cc(CCCC3CC3)c2c(=O)[nH]1
Show InChI InChI=1S/C14H14F2N2O3/c15-11(16)12-17-13(20)10-8(3-1-2-7-4-5-7)6-9(19)21-14(10)18-12/h6-7,11H,1-5H2,(H,17,18,20)
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 4n/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