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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50159914'   
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
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50159914
PNG
(1-{1-[4-Methyl-3-(5-methyl-2-nitro-phenoxy)-pentyl...)
Show SMILES CC(C)C(CCN1CCC(CC1)n1c2ccccc2[n-]c1=[OH+])Oc1cc(C)ccc1[N+]([O-])=O
Show InChI InChI=1S/C25H32N4O4/c1-17(2)23(33-24-16-18(3)8-9-22(24)29(31)32)12-15-27-13-10-19(11-14-27)28-21-7-5-4-6-20(21)26-25(28)30/h4-9,16-17,19,23H,10-15H2,1-3H3,(H,26,30)
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Similars
Article
PubMed
 62n/an/an/an/an/an/an/an/a



Organon Laboratories Ltd

Curated by ChEMBL


Assay Description
Binding affinity towards human opioid receptor mu 1 was determined by using [3H]-diprenorphine as radioligand expressed in Chinese hamster ovary (CHO...

Bioorg Med Chem Lett 15: 589-93 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.049
BindingDB Entry DOI: 10.7270/Q2K35T50
More data for this
Ligand-Target Pair