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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 = 'BDBM21115'   
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))		BDBM21115
PNG
((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NC1CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C36H46N6O5/c1-25(39-35(46)31(37)22-28-12-14-30(43)15-13-28)34(45)38-24-33(44)41-32(23-27-10-6-3-7-11-27)36(47)40-29-17-20-42(21-18-29)19-16-26-8-4-2-5-9-26/h2-15,25,29,31-32,43H,16-24,37H2,1H3,(H,38,45)(H,39,46)(H,40,47)(H,41,44)/t25-,31+,32+/m1/s1
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Article
PubMed
 14 -44.8n/an/a 125n/an/a7.425



University of Arizona at Tucson



Assay Description
Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe...

J Med Chem 50: 5528-32 (2007)


Article DOI: 10.1021/jm061465o
BindingDB Entry DOI: 10.7270/Q2D50K8P
More data for this
Ligand-Target Pair