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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Oxytocin receptor' and Ligand = 'BDBM50305508'   
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))		BDBM50305508
PNG
(2-methoxy-5-(3-methyl-5-(4-(o-tolyloxy)piperidin-1...)
Show SMILES COc1ccc(cn1)-n1c(C)nnc1N1CCC(CC1)Oc1ccccc1C
Show InChI InChI=1S/C21H25N5O2/c1-15-6-4-5-7-19(15)28-18-10-12-25(13-11-18)21-24-23-16(2)26(21)17-8-9-20(27-3)22-14-17/h4-9,14,18H,10-13H2,1-3H3
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Similars
Article
PubMed
 5.40n/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