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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with all data for assayid = 2 entry = 50040940   
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))		BDBM50402461
PNG
(CHEMBL2204025)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35O)O[C@@H]2CO[C@@H]3CO[C@H]1N23 |r|
Show InChI InChI=1S/C25H30N2O6/c28-15-4-3-14-9-16-25(29)6-5-24(22-27-17(11-31-22)30-12-18(27)33-24)21-23(25,19(14)20(15)32-21)7-8-26(16)10-13-1-2-13/h3-4,13,16-18,21-22,28-29H,1-2,5-12H2/t16-,17-,18-,21-,22-,23+,24+,25-/m1/s1
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Article
PubMed
n/an/an/an/a 25n/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding after 2 hrs by liquid scintillation countin...

Bioorg Med Chem Lett 22: 7551-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.023
BindingDB Entry DOI: 10.7270/Q29P32T1
More data for this
Ligand-Target Pair