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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 = 'BDBM50319258'   
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))
BDBM50319258
PNG
(2-(3-(1-(5-hydroxypyridin-2-yl)-1H-pyrazol-3-yl)-2...)
Show SMILES CCCC1CCC(C(O)=O)=C(C1)NC(=O)C(C)Cc1ccn(n1)-c1ccc(O)cn1 |c:9|
Show InChI InChI=1S/C22H28N4O4/c1-3-4-15-5-7-18(22(29)30)19(12-15)24-21(28)14(2)11-16-9-10-26(25-16)20-8-6-17(27)13-23-20/h6,8-10,13-15,27H,3-5,7,11-12H2,1-2H3,(H,24,28)(H,29,30)
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 9n/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))
BDBM50319258
PNG
(2-(3-(1-(5-hydroxypyridin-2-yl)-1H-pyrazol-3-yl)-2...)
Show SMILES CCCC1CCC(C(O)=O)=C(C1)NC(=O)C(C)Cc1ccn(n1)-c1ccc(O)cn1 |c:9|
Show InChI InChI=1S/C22H28N4O4/c1-3-4-15-5-7-18(22(29)30)19(12-15)24-21(28)14(2)11-16-9-10-26(25-16)20-8-6-17(27)13-23-20/h6,8-10,13-15,27H,3-5,7,11-12H2,1-2H3,(H,24,28)(H,29,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 130n/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