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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Oxytocin receptor' and Ligand = 'BDBM50410632'   
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)
BDBM50410632
PNG
(CHEMBL2113202)
Show SMILES CCOc1ccc(cc1)S(=O)(=O)N(CC(=O)NN=C1C(=O)Nc2ccncc12)c1ccc(Cl)cc1 |w:17.17|
Show InChI InChI=1S/C23H20ClN5O5S/c1-2-34-17-7-9-18(10-8-17)35(32,33)29(16-5-3-15(24)4-6-16)14-21(30)27-28-22-19-13-25-12-11-20(19)26-23(22)31/h3-13H,2,14H2,1H3,(H,27,30)(H,26,28,31)
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PC cid
PC sid
UniChem
Article
PubMed
64n/an/an/an/an/an/an/an/a



Serono Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]OVTA antagonist from human oxytocin receptor expressed in HEK293-EBNA cells


J Med Chem 48: 7882-905 (2005)


Article DOI: 10.1021/jm050645f
BindingDB Entry DOI: 10.7270/Q2QF8TN3
More data for this
Ligand-Target Pair