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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Oxytocin receptor' and Ligand = 'BDBM50384820'   
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)
BDBM50384820
PNG
(EPELSIBAN | GSK557296B)
Show SMILES CC[C@H](C)[C@H]1N([C@@H](C(=O)N2CCOCC2)c2ccc(C)nc2C)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1
Show InChI InChI=1S/C30H38N4O4/c1-5-18(2)26-28(35)32-25(23-16-21-8-6-7-9-22(21)17-23)29(36)34(26)27(24-11-10-19(3)31-20(24)4)30(37)33-12-14-38-15-13-33/h6-11,18,23,25-27H,5,12-17H2,1-4H3,(H,32,35)/t18-,25+,26+,27+/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
0.126n/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