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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Oxytocin receptor' and Ligand = 'BDBM50313814'   
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))		BDBM50313814
PNG
(3-(2-chloro-4-fluorophenoxy)-N-ethyl-N-(6-methoxyp...)
Show SMILES CCN(C(=O)N1CC(C1)Oc1ccc(F)cc1Cl)c1ccc(OC)nc1
Show InChI InChI=1S/C18H19ClFN3O3/c1-3-23(13-5-7-17(25-2)21-9-13)18(24)22-10-14(11-22)26-16-6-4-12(20)8-15(16)19/h4-9,14H,3,10-11H2,1-2H3
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Similars
Article
PubMed
 48.4n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human oxytocin receptor expressed in CHO cells by beta lactamase assay

Bioorg Med Chem Lett 20: 1851-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.143
BindingDB Entry DOI: 10.7270/Q2K074F1
More data for this
Ligand-Target Pair