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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Oxytocin receptor' and Ligand = 'BDBM50305516'   
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)
BDBM50305516
PNG
((R)-2-methoxy-5-(3-(methoxymethyl)-5-(3-(o-tolylox...)
Show SMILES COCc1nnc(N2CC[C@H](C2)Oc2ccccc2C)n1-c1ccc(OC)nc1 |r|
Show InChI InChI=1S/C21H25N5O3/c1-15-6-4-5-7-18(15)29-17-10-11-25(13-17)21-24-23-19(14-27-2)26(21)16-8-9-20(28-3)22-12-16/h4-9,12,17H,10-11,13-14H2,1-3H3/t17-/m1/s1
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PC cid
PC sid
UniChem
Article
PubMed
28.5n/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