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BDBM50295778 2-(2,6-dimethylphenoxy)-5-(4-(6-methoxypyridin-3-yl)-5-methyl-4H-1,2,4-triazol-3-yl)pyrazine::CHEMBL550244

SMILES: COc1ccc(cn1)-n1c(C)nnc1-c1cnc(Oc2c(C)cccc2C)cn1

InChI Key: InChIKey=RJPTXGFLQXJXQH-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50295778   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Oxytocin receptor


(HEK293)
BDBM50295778
PNG
(2-(2,6-dimethylphenoxy)-5-(4-(6-methoxypyridin-3-y...)
Show SMILES COc1ccc(cn1)-n1c(C)nnc1-c1cnc(Oc2c(C)cccc2C)cn1
Show InChI InChI=1S/C21H20N6O2/c1-13-6-5-7-14(2)20(13)29-19-12-22-17(11-24-19)21-26-25-15(3)27(21)16-8-9-18(28-4)23-10-16/h5-12H,1-4H3
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
5.90n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned oxytocin receptor by cell based beta-lactamase assay


Bioorg Med Chem Lett 19: 2634-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.160
BindingDB Entry DOI: 10.7270/Q2736QXW
More data for this
Ligand-Target Pair