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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 = 'BDBM50321032'   
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))
BDBM50321032
PNG
((2S,5S)-2-(4-methoxyphenyl)-5-methyl-1-(3-phenylpr...)
Show SMILES COc1ccc(cc1)[C@H]1CN2[C@@H](C)CN=C2N1CCCc1ccccc1 |r,c:15|
Show InChI InChI=1S/C22H27N3O/c1-17-15-23-22-24(14-6-9-18-7-4-3-5-8-18)21(16-25(17)22)19-10-12-20(26-2)13-11-19/h3-5,7-8,10-13,17,21H,6,9,14-16H2,1-2H3/t17-,21+/m0/s1
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PC cid
PC sid
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Article
PubMed
39n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Binding affinity to kappa opioid receptor


Bioorg Med Chem 18: 4446-52 (2010)


Article DOI: 10.1016/j.bmc.2010.04.069
BindingDB Entry DOI: 10.7270/Q23X87MV
More data for this
Ligand-Target Pair