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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 = 'BDBM50154211'   
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))
BDBM50154211
PNG
(6-Methoxy-8,8-dimethyl-7-((E)-3-phenyl-allylamino)...)
Show SMILES CO[C@H]1Cc2ccc(O)cc2C(C)(C)[C@@H]1NC\C=C\c1ccccc1
Show InChI InChI=1S/C22H27NO2/c1-22(2)19-15-18(24)12-11-17(19)14-20(25-3)21(22)23-13-7-10-16-8-5-4-6-9-16/h4-12,15,20-21,23-24H,13-14H2,1-3H3/b10-7+/t20-,21+/m0/s1
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PC cid
PC sid
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Article
PubMed
7.5n/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