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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Oxytocin receptor' and Ligand = 'BDBM50314513'   
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))		BDBM50314513
PNG
(5-(2,3-dimethylphenyl)-N-isopropyl-N-(6-methoxypyr...)
Show SMILES COc1ccc(cn1)N(C(C)C)C(=O)c1cnc(cn1)-c1cccc(C)c1C
Show InChI InChI=1S/C22H24N4O2/c1-14(2)26(17-9-10-21(28-5)25-11-17)22(27)20-13-23-19(12-24-20)18-8-6-7-15(3)16(18)4/h6-14H,1-5H3
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Article
PubMed
 14n/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