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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 = 'BDBM50013191'   
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)		BDBM50013191
PNG
(3-{[5-(2-Fluoro-phenyl)-1-methyl-2,3-dihydro-1H-be...)
Show SMILES COC(=O)CC(NCC1CN=C(c2ccccc2F)c2ccccc2N1C)c1ccccc1 |t:10|
Show InChI InChI=1S/C27H28FN3O2/c1-31-20(17-29-24(16-26(32)33-2)19-10-4-3-5-11-19)18-30-27(21-12-6-8-14-23(21)28)22-13-7-9-15-25(22)31/h3-15,20,24,29H,16-18H2,1-2H3
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MMDB

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PC sid
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n/an/a 18n/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