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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 = 'BDBM50188154'   
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))
BDBM50188154
PNG
(4-[(2S)-2-amino-3-{benzyl[(2S)-1-(4-hydroxyphenyl)...)
Show SMILES CNC[C@H](Cc1ccc(O)cc1)N(C[C@@H](N)Cc1ccc(O)cc1)Cc1ccccc1
Show InChI InChI=1S/C26H33N3O2/c1-28-17-24(16-21-9-13-26(31)14-10-21)29(18-22-5-3-2-4-6-22)19-23(27)15-20-7-11-25(30)12-8-20/h2-14,23-24,28,30-31H,15-19,27H2,1H3/t23-,24-/m0/s1
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Similars

Article
PubMed
n/an/a 1.44E+4n/an/an/an/an/an/a



Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor


Bioorg Med Chem Lett 16: 4331-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.053
BindingDB Entry DOI: 10.7270/Q2028R47
More data for this
Ligand-Target Pair