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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 = 'BDBM50428090'   
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))		BDBM50428090
PNG
(CHEMBL2323576)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C)C(=O)NCCC(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C48H59N9O10/c1-29(53-46(65)37(49)25-33-13-17-35(58)18-14-33)44(63)51-24-22-42(61)56-39(27-32-11-7-4-8-12-32)48(67)57-40(28-34-15-19-36(59)20-16-34)47(66)54-30(2)45(64)52-23-21-41(60)55-38(43(50)62)26-31-9-5-3-6-10-31/h3-20,29-30,37-40,58-59H,21-28,49H2,1-2H3,(H2,50,62)(H,51,63)(H,52,64)(H,53,65)(H,54,66)(H,55,60)(H,56,61)(H,57,67)/t29-,30-,37+,38+,39+,40+/m1/s1
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Similars
Article
PubMed
 172n/an/an/an/an/an/an/an/a



Universit£ di Chieti-Pescara"G. d'Annunzio"

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from MOR in Sprague-Dawley rat brain membrane after 180 mins by scintillation counting analysis

J Med Chem 56: 3419-23 (2013)


Article DOI: 10.1021/jm301456c
BindingDB Entry DOI: 10.7270/Q2X63P9H
More data for this
Ligand-Target Pair