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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Oxytocin receptor' and Ligand = 'BDBM50384825'   
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)
BDBM50384825
PNG
(CHEMBL2035016)
Show SMILES COC(=O)c1ccccc1[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/C30H37N3O5/c1-17(2)14-24-27(34)32-25(21-15-19-10-6-7-11-20(19)16-21)29(36)33(24)26(28(35)31-18(3)4)22-12-8-9-13-23(22)30(37)38-5/h6-13,17-18,21,24-26H,14-16H2,1-5H3,(H,31,35)(H,32,34)/t24-,25-,26+/m1/s1
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UniProtKB/SwissProt

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GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
158n/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