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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 = 'BDBM50154214'   
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))
BDBM50154214
PNG
(8,8-dimethyl-7-{[(2E)-3-phenylprop-2-enyl]amino}-5...)
Show SMILES CC1(C)C(CCc2ccc(O)cc12)NC\C=C\c1ccccc1
Show InChI InChI=1S/C21H25NO/c1-21(2)19-15-18(23)12-10-17(19)11-13-20(21)22-14-6-9-16-7-4-3-5-8-16/h3-10,12,15,20,22-23H,11,13-14H2,1-2H3/b9-6+
PDB

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PC cid
PC sid
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Article
PubMed
82n/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