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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 = 'BDBM50174952'   
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))
BDBM50174952
PNG
((S)-N-((S)-2-((S)-3-hydroxypyrrolidin-1-yl)-1-phen...)
Show SMILES CCCS(=O)(=O)Nc1ccc2O[C@@H](CCc2c1)C(=O)N(C)[C@H](CN1CC[C@H](O)C1)c1ccccc1
Show InChI InChI=1S/C26H35N3O5S/c1-3-15-35(32,33)27-21-10-12-24-20(16-21)9-11-25(34-24)26(31)28(2)23(19-7-5-4-6-8-19)18-29-14-13-22(30)17-29/h4-8,10,12,16,22-23,25,27,30H,3,9,11,13-15,17-18H2,1-2H3/t22-,23+,25-/m0/s1
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Article
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14n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Agonistic activity at kappa opioid receptor


Bioorg Med Chem Lett 15: 5114-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.094
BindingDB Entry DOI: 10.7270/Q23F4P6H
More data for this
Ligand-Target Pair