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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Oxytocin receptor' and Ligand = 'BDBM50384835'   
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)
BDBM50384835
PNG
(CHEMBL2037492)
Show SMILES CC(C)C[C@H]1N([C@@H](C(=O)N2CCOCC2)c2ccc(C)nc2)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1
Show InChI InChI=1S/C29H36N4O4/c1-18(2)14-24-27(34)31-25(23-15-20-6-4-5-7-21(20)16-23)28(35)33(24)26(22-9-8-19(3)30-17-22)29(36)32-10-12-37-13-11-32/h4-9,17-18,23-26H,10-16H2,1-3H3,(H,31,34)/t24-,25-,26-/m1/s1
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PC cid
PC sid
UniChem

Similars

Article
PubMed
0.398n/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 55: 783-96 (2012)


Article DOI: 10.1021/jm201287w
BindingDB Entry DOI: 10.7270/Q2MS3TSH
More data for this
Ligand-Target Pair