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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Oxytocin receptor' and Ligand = 'BDBM50305507'   
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
Oxytocin receptor


(Homo sapiens (Human))
BDBM50305507
PNG
(2-methoxy-5-(3-methyl-5-(4-phenoxypiperidin-1-yl)-...)
Show SMILES COc1ccc(cn1)-n1c(C)nnc1N1CCC(CC1)Oc1ccccc1
Show InChI InChI=1S/C20H23N5O2/c1-15-22-23-20(25(15)16-8-9-19(26-2)21-14-16)24-12-10-18(11-13-24)27-17-6-4-3-5-7-17/h3-9,14,18H,10-13H2,1-2H3
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Similars

Article
PubMed
114n/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 20: 516-20 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.097
BindingDB Entry DOI: 10.7270/Q2MS3SWF
More data for this
Ligand-Target Pair