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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Oxytocin receptor' and Ligand = 'BDBM50305510'   
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


(HEK293)
BDBM50305510
PNG
(5-(3-(4-(3-fluoro-2-methylphenoxy)piperidin-1-yl)-...)
Show SMILES COc1ccc(cn1)-n1c(C)nnc1N1CCC(CC1)Oc1cccc(F)c1C
Show InChI InChI=1S/C21H24FN5O2/c1-14-18(22)5-4-6-19(14)29-17-9-11-26(12-10-17)21-25-24-15(2)27(21)16-7-8-20(28-3)23-13-16/h4-8,13,17H,9-12H2,1-3H3
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PC cid
PC sid
UniChem
Article
PubMed
2.60n/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