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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 = 'BDBM50127166'   
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))		BDBM50127166
PNG
(10-hydroxy-4-phenethyl-17-(3-phenylpropoxy)-(13R,1...)
Show SMILES Oc1ccc2CC3N(CCc4ccccc4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35OCCCc1ccccc1 |TLB:21:22:27:7.17.16,3:4:27:7.17.16|
Show InChI InChI=1S/C33H35NO4/c35-26-14-13-25-22-28-33(37-21-7-12-23-8-3-1-4-9-23)17-15-27(36)31-32(33,29(25)30(26)38-31)18-20-34(28)19-16-24-10-5-2-6-11-24/h1-6,8-11,13-14,28,31,35H,7,12,15-22H2/t28?,31-,32-,33+/m0/s1
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Article
PubMed
 0.600n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
In vitro binding affinity at opioid receptor kappa 1 was determined in human CHO cells using [3H]U-69593

J Med Chem 46: 1758-63 (2003)


Article DOI: 10.1021/jm021118o
BindingDB Entry DOI: 10.7270/Q2V125JQ
More data for this
Ligand-Target Pair