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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Oxytocin receptor' and Ligand = 'BDBM50314524'   
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))
BDBM50314524
PNG
(CHEMBL1093709 | N-ethyl-6-(4-methoxyphenyl)-N-(6-m...)
Show SMILES CCN(C(=O)c1ccc([nH]c1=O)-c1ccc(OC)cc1)c1ccc(OC)nc1
Show InChI InChI=1S/C21H21N3O4/c1-4-24(15-7-12-19(28-3)22-13-15)21(26)17-10-11-18(23-20(17)25)14-5-8-16(27-2)9-6-14/h5-13H,4H2,1-3H3,(H,23,25)
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Similars

Article
PubMed
84n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned OT receptor by cell based beta-lactamase reporter gene assay


Bioorg Med Chem Lett 20: 2224-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.018
BindingDB Entry DOI: 10.7270/Q2X34XMS
More data for this
Ligand-Target Pair