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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 = 'BDBM50402468'   
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


(Cavia porcellus (domestic guinea pig))
BDBM50402468
PNG
(CHEMBL2204034)
Show SMILES CC(C)CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CC[C@]41O[C@H]2CO[C@H]3CO[C@@H]1N23)ccc5O |r|
Show InChI InChI=1S/C25H32N2O6/c1-13(2)10-26-8-7-23-19-14-3-4-15(28)20(19)32-21(23)24(5-6-25(23,29)16(26)9-14)22-27-17(11-31-22)30-12-18(27)33-24/h3-4,13,16-18,21-22,28-29H,5-12H2,1-2H3/t16-,17+,18+,21-,22+,23+,24+,25-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69,593 from kappa opioid receptor in guinea pig cerebellum


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