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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 = 'BDBM50174953'   
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))
BDBM50174953
PNG
(5-acetamido-N-((S)-2-((S)-3-hydroxypyrrolidin-1-yl...)
Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)C1Cc2cc(NC(C)=O)ccc2O1
Show InChI InChI=1S/C24H29N3O4/c1-16(28)25-19-8-9-22-18(12-19)13-23(31-22)24(30)26(2)21(17-6-4-3-5-7-17)15-27-11-10-20(29)14-27/h3-9,12,20-21,23,29H,10-11,13-15H2,1-2H3,(H,25,28)/t20-,21+,23?/m0/s1
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Article
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52n/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