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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Oxytocin receptor' and Ligand = 'BDBM50178212'   
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))
BDBM50178212
PNG
(CHEMBL115305 | N'-(2-hydroxybenzylidene)-2-(N-p-to...)
Show SMILES Cc1ccc(cc1)N(CC(=O)N\N=C\c1ccccc1O)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C22H21N3O4S/c1-17-11-13-19(14-12-17)25(30(28,29)20-8-3-2-4-9-20)16-22(27)24-23-15-18-7-5-6-10-21(18)26/h2-15,26H,16H2,1H3,(H,24,27)/b23-15+
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PC cid
PC sid
UniChem
Article
PubMed
67n/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