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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 = 'BDBM50271463'   
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))
BDBM50271463
PNG
((R)-2-(3-(1-(4-hydroxyphenyl)-5-methyl-1H-pyrazol-...)
Show SMILES C[C@H](Cc1cnn(c1C)-c1ccc(O)cc1)C(=O)NC1=C(CCCC1)C(O)=O |r,t:21|
Show InChI InChI=1S/C21H25N3O4/c1-13(20(26)23-19-6-4-3-5-18(19)21(27)28)11-15-12-22-24(14(15)2)16-7-9-17(25)10-8-16/h7-10,12-13,25H,3-6,11H2,1-2H3,(H,23,26)(H,27,28)/t13-/m1/s1
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 26n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]niacin from GRP109A receptor


Bioorg Med Chem Lett 20: 3372-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.013
BindingDB Entry DOI: 10.7270/Q2C24WM2
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50271463
PNG
((R)-2-(3-(1-(4-hydroxyphenyl)-5-methyl-1H-pyrazol-...)
Show SMILES C[C@H](Cc1cnn(c1C)-c1ccc(O)cc1)C(=O)NC1=C(CCCC1)C(O)=O |r,t:21|
Show InChI InChI=1S/C21H25N3O4/c1-13(20(26)23-19-6-4-3-5-18(19)21(27)28)11-15-12-22-24(14(15)2)16-7-9-17(25)10-8-16/h7-10,12-13,25H,3-6,11H2,1-2H3,(H,23,26)(H,27,28)/t13-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 350n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]niacin from GRP109A receptor in presence of 4% human serum


Bioorg Med Chem Lett 20: 3372-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.013
BindingDB Entry DOI: 10.7270/Q2C24WM2
More data for this
Ligand-Target Pair