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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 = 'BDBM50120215'   
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


(Rattus norvegicus (rat))		BDBM50120215
PNG
((S)-2-[(S)-2-(2-{2-[4-((S)-4-Hydroxy-benzyl)-5-oxo...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CN1CN[C@@H](Cc2ccc(O)cc2)C1=O)C(N)=O
Show InChI InChI=1S/C29H38N6O6/c1-18(2)12-22(27(30)39)34-28(40)23(13-19-6-4-3-5-7-19)33-25(37)15-31-26(38)16-35-17-32-24(29(35)41)14-20-8-10-21(36)11-9-20/h3-11,18,22-24,32,36H,12-17H2,1-2H3,(H2,30,39)(H,31,38)(H,33,37)(H,34,40)/t22-,23-,24-/m0/s1
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PubMed
 547n/an/an/an/an/an/an/an/a



Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Opioid receptor mu 1 was determined using ([d-Ala2,MePhe4, Gly5-ol]-enkephalin (DAMGO) as the radioligand.

Bioorg Med Chem Lett 12: 3175-8 (2002)


BindingDB Entry DOI: 10.7270/Q2862FSM
More data for this
Ligand-Target Pair