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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 = 'BDBM50319259'   
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))
BDBM50319259
PNG
(CHEMBL1084060 | rac-cis-2-(3-(1-(5-hydroxypyridin-...)
Show SMILES OC(=O)[C@H]1CCCC[C@H]1NC(=O)CCc1ccn(n1)-c1ccc(O)cn1 |r|
Show InChI InChI=1S/C18H22N4O4/c23-13-6-7-16(19-11-13)22-10-9-12(21-22)5-8-17(24)20-15-4-2-1-3-14(15)18(25)26/h6-7,9-11,14-15,23H,1-5,8H2,(H,20,24)(H,25,26)/t14-,15+/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 1.31E+3n/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))
BDBM50319259
PNG
(CHEMBL1084060 | rac-cis-2-(3-(1-(5-hydroxypyridin-...)
Show SMILES OC(=O)[C@H]1CCCC[C@H]1NC(=O)CCc1ccn(n1)-c1ccc(O)cn1 |r|
Show InChI InChI=1S/C18H22N4O4/c23-13-6-7-16(19-11-13)22-10-9-12(21-22)5-8-17(24)20-15-4-2-1-3-14(15)18(25)26/h6-7,9-11,14-15,23H,1-5,8H2,(H,20,24)(H,25,26)/t14-,15+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.79E+4n/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