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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Oxytocin receptor' and Ligand = 'BDBM50305526'   
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))
BDBM50305526
PNG
(5-(3-(3-(4-fluoro-2-methylphenoxy)azetidin-1-yl)-5...)
Show SMILES COCc1nnc(N2CC(C2)Oc2ccc(F)cc2C)n1-c1ccc(OC)nc1
Show InChI InChI=1S/C20H22FN5O3/c1-13-8-14(21)4-6-17(13)29-16-10-25(11-16)20-24-23-18(12-27-2)26(20)15-5-7-19(28-3)22-9-15/h4-9,16H,10-12H2,1-3H3
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Similars

Article
PubMed
18.4n/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