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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 = 'BDBM50227778'   
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))
BDBM50227778
PNG
(2-(1-(benzo[d]oxazol-2-yl)piperazine-4-carboxamido...)
Show SMILES OC(=O)c1ccccc1NC(=O)N1CCN(CC1)c1nc2ccccc2o1
Show InChI InChI=1S/C19H18N4O4/c24-17(25)13-5-1-2-6-14(13)20-18(26)22-9-11-23(12-10-22)19-21-15-7-3-4-8-16(15)27-19/h1-8H,9-12H2,(H,20,26)(H,24,25)
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PC cid
PC sid
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Article
PubMed
n/an/a 5.70E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]niacin from human GPR109A


Bioorg Med Chem Lett 17: 6723-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.055
BindingDB Entry DOI: 10.7270/Q2R2114Q
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50227778
PNG
(2-(1-(benzo[d]oxazol-2-yl)piperazine-4-carboxamido...)
Show SMILES OC(=O)c1ccccc1NC(=O)N1CCN(CC1)c1nc2ccccc2o1
Show InChI InChI=1S/C19H18N4O4/c24-17(25)13-5-1-2-6-14(13)20-18(26)22-9-11-23(12-10-22)19-21-15-7-3-4-8-16(15)27-19/h1-8H,9-12H2,(H,20,26)(H,24,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 2.20E+4n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human GPR106A by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 17: 6723-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.055
BindingDB Entry DOI: 10.7270/Q2R2114Q
More data for this
Ligand-Target Pair