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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 = 'BDBM50120216'   
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))		BDBM50120216
PNG
(2-Amino-N-[({[1-benzyl-2-(5-isobutyl-4-oxo-imidazo...)
Show SMILES CC(C)C[C@@H]1N(CNC1=O)C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C29H38N6O6/c1-18(2)12-24-28(40)33-17-35(24)29(41)23(14-19-6-4-3-5-7-19)34-26(38)16-31-25(37)15-32-27(39)22(30)13-20-8-10-21(36)11-9-20/h3-11,18,22-24,36H,12-17,30H2,1-2H3,(H,31,37)(H,32,39)(H,33,40)(H,34,38)/t22-,23-,24-/m0/s1
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Similars
PubMed
 4n/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