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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 = 'BDBM50402011'   
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))
BDBM50402011
PNG
(CHEMBL2205418)
Show SMILES CN([C@H]1CC[C@@]2(O)[C@H]3Cc4cccc5O[C@@H]1[C@]2(CCN3CC1CC1)c45)C(=O)\C=C\c1ccoc1 |r|
Show InChI InChI=1S/C28H32N2O4/c1-29(24(31)8-7-19-10-14-33-17-19)21-9-11-28(32)23-15-20-3-2-4-22-25(20)27(28,26(21)34-22)12-13-30(23)16-18-5-6-18/h2-4,7-8,10,14,17-18,21,23,26,32H,5-6,9,11-13,15-16H2,1H3/b8-7+/t21-,23+,26-,27-,28+/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.340n/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 membranes


Bioorg Med Chem Lett 22: 7711-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.101
BindingDB Entry DOI: 10.7270/Q22B905B
More data for this
Ligand-Target Pair