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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50153130'   
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
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50153130
PNG
(1-[1-(4-Isopropyl-cyclohexyl)-piperidin-4-yl]-1,3-...)
Show SMILES CC(C)C1CCC(CC1)N1CCC(CC1)N1c2ccccc2NS1(=O)=O |(7.16,-4.52,;7.03,-3.01,;8.3,-2.12,;5.65,-2.33,;4.36,-3.23,;2.95,-2.57,;2.84,-1.01,;4.1,-.12,;5.52,-.8,;1.42,-.33,;.15,-1.22,;-1.23,-.54,;-1.36,.99,;-.09,1.86,;1.3,1.2,;-2.74,1.64,;-4.02,.83,;-4.3,-.68,;-5.73,-1.19,;-6.92,-.19,;-6.65,1.3,;-5.21,1.83,;-4.62,3.25,;-3.09,3.13,;-1.6,3.41,;-3.39,4.62,)|
Show InChI InChI=1S/C20H31N3O2S/c1-15(2)16-7-9-17(10-8-16)22-13-11-18(12-14-22)23-20-6-4-3-5-19(20)21-26(23,24)25/h3-6,15-18,21H,7-14H2,1-2H3
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Similars
Article
PubMed
>2.00E+3n/an/an/an/an/an/an/an/a



Purdue Pharma LP

Curated by ChEMBL


Assay Description
Inhibition of [3H]U-69593 binding to human Opioid receptor kappa 1

Bioorg Med Chem Lett 14: 5045-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.001
BindingDB Entry DOI: 10.7270/Q2TM7BV8
More data for this
Ligand-Target Pair