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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Oxytocin receptor' and Ligand = 'BDBM50384828'   
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)
BDBM50384828
PNG
(CHEMBL2035013)
Show SMILES COc1ccccc1[C@@H](N1[C@H](CC(C)C)C(=O)N[C@H](C2Cc3ccccc3C2)C1=O)C(=O)NC(C)C
Show InChI InChI=1S/C29H37N3O4/c1-17(2)14-23-27(33)31-25(21-15-19-10-6-7-11-20(19)16-21)29(35)32(23)26(28(34)30-18(3)4)22-12-8-9-13-24(22)36-5/h6-13,17-18,21,23,25-26H,14-16H2,1-5H3,(H,30,34)(H,31,33)/t23-,25-,26-/m1/s1
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PC cid
PC sid
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Similars

Article
PubMed
31.6n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human oxytocin receptor assessed as inhibition of oxytocin binding by FLIPR analysis


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