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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Oxytocin receptor' and Ligand = 'BDBM50013635'   
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


(RAT)		BDBM50013635
PNG
(24-(1H-5-imidazolylmethyl)-13-[1-methyl-(1S)-propy...)
Show SMILES [H][C@]12CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@]1([H])CCCCN1C(=O)[C@]1([H])CCCCN1C(=O)[C@@]([H])(NC(=O)[C@H](Cc1ccc3ccccc3c1)NC2=O)[C@@H](C)CC
Show InChI InChI=1S/C42H54N8O6/c1-3-26(2)36-42(56)50-19-9-7-14-35(50)41(55)49-18-8-6-13-33(49)39(53)46-32(23-30-24-43-25-44-30)40(54)48-20-10-15-34(48)38(52)45-31(37(51)47-36)22-27-16-17-28-11-4-5-12-29(28)21-27/h4-5,11-12,16-17,21,24-26,31-36H,3,6-10,13-15,18-20,22-23H2,1-2H3,(H,43,44)(H,45,52)(H,46,53)(H,47,51)/t26-,31-,32-,33+,34+,35-,36-/m0/s1
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PubMed
 320n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]- oxytocin binding to rat uterine Oxytocin receptor

J Med Chem 33: 1843-5 (1990)


BindingDB Entry DOI: 10.7270/Q2JS9PDK
More data for this
Ligand-Target Pair