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BDBM50295773 2-(2-ethylphenoxy)-5-(4-(6-methoxypyridin-3-yl)-5-methyl-4H-1,2,4-triazol-3-yl)pyrazine::CHEMBL551395

SMILES: CCc1ccccc1Oc1cnc(cn1)-c1nnc(C)n1-c1ccc(OC)nc1

InChI Key: InChIKey=BRALWNLHOJVISW-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50295773   
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)
BDBM50295773
PNG
(2-(2-ethylphenoxy)-5-(4-(6-methoxypyridin-3-yl)-5-...)
Show SMILES CCc1ccccc1Oc1cnc(cn1)-c1nnc(C)n1-c1ccc(OC)nc1
Show InChI InChI=1S/C21H20N6O2/c1-4-15-7-5-6-8-18(15)29-20-13-22-17(12-24-20)21-26-25-14(2)27(21)16-9-10-19(28-3)23-11-16/h5-13H,4H2,1-3H3
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PC cid
PC sid
UniChem
Article
PubMed
52.3n/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