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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 = 'BDBM50319241'   
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))
BDBM50319241
PNG
(5-(3,5-difluorophenyl)-2-(3-(1-(5-hydroxypyridin-2...)
Show SMILES CC(Cc1ccn(n1)-c1ccc(O)cn1)C(=O)NC1=C(CC(CC1)c1cc(F)cc(F)c1)C(O)=O |t:20|
Show InChI InChI=1S/C25H24F2N4O4/c1-14(8-19-6-7-31(30-19)23-5-3-20(32)13-28-23)24(33)29-22-4-2-15(11-21(22)25(34)35)16-9-17(26)12-18(27)10-16/h3,5-7,9-10,12-15,32H,2,4,8,11H2,1H3,(H,29,33)(H,34,35)
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PC cid
PC sid
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Article
PubMed
n/an/a 5n/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))
BDBM50319241
PNG
(5-(3,5-difluorophenyl)-2-(3-(1-(5-hydroxypyridin-2...)
Show SMILES CC(Cc1ccn(n1)-c1ccc(O)cn1)C(=O)NC1=C(CC(CC1)c1cc(F)cc(F)c1)C(O)=O |t:20|
Show InChI InChI=1S/C25H24F2N4O4/c1-14(8-19-6-7-31(30-19)23-5-3-20(32)13-28-23)24(33)29-22-4-2-15(11-21(22)25(34)35)16-9-17(26)12-18(27)10-16/h3,5-7,9-10,12-15,32H,2,4,8,11H2,1H3,(H,29,33)(H,34,35)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 62n/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