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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Oxytocin receptor' and Ligand = 'BDBM50002427'   
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)
BDBM50002427
PNG
(CHEMBL194431)
Show SMILES CC(C)C[C@@H]1CN[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)C)c1ccccc1
Show InChI InChI=1S/C28H37N3O2/c1-18(2)14-24-17-29-25(23-15-21-12-8-9-13-22(21)16-23)28(33)31(24)26(27(32)30-19(3)4)20-10-6-5-7-11-20/h5-13,18-19,23-26,29H,14-17H2,1-4H3,(H,30,32)/t24-,25-,26-/m1/s1
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Patents


Similars

Article
PubMed
316n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]oxytocin from human Oxytocin receptor


J Med Chem 48: 6956-69 (2005)

Checked by Author
Article DOI: 10.1021/jm050557v
BindingDB Entry DOI: 10.7270/Q2TX3GWZ
More data for this
Ligand-Target Pair