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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1' and Ligand = 'BDBM50013205'   
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
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1


(Rattus norvegicus (rat)-RAT)		BDBM50013205
PNG
(2-(Acetylamino-methylsulfanyl)-N-[5-(2-fluoro-phen...)
Show SMILES CN1C(CNC(=O)CSCNC(C)=O)CN=C(c2ccccc2F)c2ccccc12 |t:15|
Show InChI InChI=1S/C22H25FN4O2S/c1-15(28)26-14-30-13-21(29)24-11-16-12-25-22(17-7-3-5-9-19(17)23)18-8-4-6-10-20(18)27(16)2/h3-10,16H,11-14H2,1-2H3,(H,24,29)(H,26,28)
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n/an/a 120n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]dihydromorphine (DHM) from rat brain Opioid receptors

J Med Chem 33: 450-5 (1990)


BindingDB Entry DOI: 10.7270/Q26M35TN
More data for this
Ligand-Target Pair