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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Hydroxycarboxylic acid receptor 2' and Ligand = 'BDBM50264264'   
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))
BDBM50264264
PNG
((R)-3-(4-isopropylphenyl)-7-methyl-N-(1-phenoxypro...)
Show SMILES C[C@H](COc1ccccc1)NC(=O)c1cnc2c(cnn2c1C)-c1ccc(cc1)C(C)C |r|
Show InChI InChI=1S/C26H28N4O2/c1-17(2)20-10-12-21(13-11-20)24-15-28-30-19(4)23(14-27-25(24)30)26(31)29-18(3)16-32-22-8-6-5-7-9-22/h5-15,17-18H,16H2,1-4H3,(H,29,31)/t18-/m1/s1
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PC sid
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Article
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n/an/a 170n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotinic acid from human GPR109A receptor expressed in CHO cells


Bioorg Med Chem Lett 18: 4948-51 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.039
BindingDB Entry DOI: 10.7270/Q2DZ0843
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50264264
PNG
((R)-3-(4-isopropylphenyl)-7-methyl-N-(1-phenoxypro...)
Show SMILES C[C@H](COc1ccccc1)NC(=O)c1cnc2c(cnn2c1C)-c1ccc(cc1)C(C)C |r|
Show InChI InChI=1S/C26H28N4O2/c1-17(2)20-10-12-21(13-11-20)24-15-28-30-19(4)23(14-27-25(24)30)26(31)29-18(3)16-32-22-8-6-5-7-9-22/h5-15,17-18H,16H2,1-4H3,(H,29,31)/t18-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/an/an/a 120n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human GPR109A receptor expressed in CHO cells by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 18: 4948-51 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.039
BindingDB Entry DOI: 10.7270/Q2DZ0843
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)