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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Delta-type opioid receptor' and Ligand = 'BDBM21863'   
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
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM21863
PNG
(4-phenyl-1-[4-(propan-2-yl)cyclohexyl]piperidine-4...)
Show SMILES CC(C)C1CCC(CC1)N1CCC(CC1)(C(N)=O)c1ccccc1 |(.21,-6.77,;-1.12,-6,;-2.46,-6.77,;-1.12,-4.46,;-2.46,-3.69,;-2.46,-2.15,;-1.12,-1.38,;.21,-2.15,;.21,-3.69,;-1.12,.16,;-2.46,.93,;-2.46,2.47,;-1.12,3.24,;.21,2.47,;.21,.93,;.21,4.01,;.21,5.55,;1.54,3.24,;-2.46,4.01,;-2.46,5.55,;-3.79,6.32,;-5.13,5.55,;-5.13,4.01,;-3.79,3.24,)|
Show InChI InChI=1S/C21H32N2O/c1-16(2)17-8-10-19(11-9-17)23-14-12-21(13-15-23,20(22)24)18-6-4-3-5-7-18/h3-7,16-17,19H,8-15H2,1-2H3,(H2,22,24)
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Similars
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Istituto Superiore di Sanita



Assay Description
IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...

J Med Chem 51: 1058-62 (2008)


Article DOI: 10.1021/jm7009606
BindingDB Entry DOI: 10.7270/Q2HT2MMT
More data for this
Ligand-Target Pair