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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 = 'BDBM50154212'   
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))
BDBM50154212
PNG
(7-(dipropylamino)-8,8-dimethyl-5,6,7,8-tetrahydron...)
Show SMILES CCCN(CCC)C1CCc2ccc(O)cc2C1(C)C
Show InChI InChI=1S/C18H29NO/c1-5-11-19(12-6-2)17-10-8-14-7-9-15(20)13-16(14)18(17,3)4/h7,9,13,17,20H,5-6,8,10-12H2,1-4H3
PDB

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PC cid
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Article
PubMed
552n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of [3H]U-69593 binding to human kappa opioid receptor expressed in CHO cells


J Med Chem 47: 5069-75 (2004)


Article DOI: 10.1021/jm040807s
BindingDB Entry DOI: 10.7270/Q2S46SQB
More data for this
Ligand-Target Pair