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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 = 'BDBM50381674'   
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))
BDBM50381674
PNG
(CHEMBL2022295)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)C(=O)c1ccc(O)cc1 |r|
Show InChI InChI=1S/C26H30O9/c1-13(27)34-18-11-17(23(31)33-4)25(2)10-9-16-24(32)35-19(12-26(16,3)22(25)21(18)30)20(29)14-5-7-15(28)8-6-14/h5-8,16-19,22,28H,9-12H2,1-4H3/t16-,17-,18-,19-,22-,25-,26-/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
8.47E+3n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human recombinant kappa opioid receptor expressed in CHO cells after 2 hrs by liquid scintillation counting


Bioorg Med Chem 20: 3100-10 (2012)


Article DOI: 10.1016/j.bmc.2012.02.040
BindingDB Entry DOI: 10.7270/Q27H1KK0
More data for this
Ligand-Target Pair