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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 = 'BDBM50189253'   
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))
BDBM50189253
PNG
(CHEMBL213737 | DM3B6S)
Show SMILES C[NH+]1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3CC[C@@H]4OS([O-])(=O)=O)ccc5OC(=O)c1ccccc1 |THB:7:8:12:1.3.2,21:9:12:1.3.2|
Show InChI InChI=1S/C24H25NO7S/c1-25-12-11-24-16-8-10-19(32-33(27,28)29)22(24)31-21-18(9-7-15(20(21)24)13-17(16)25)30-23(26)14-5-3-2-4-6-14/h2-7,9,16-17,19,22H,8,10-13H2,1H3,(H,27,28,29)/t16-,17+,19-,22-,24-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of radiolabeled U69593 from kappa1 opioid receptor in Hartley guinea pig brain


Bioorg Med Chem Lett 16: 4291-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.060
BindingDB Entry DOI: 10.7270/Q2XG9RXF
More data for this
Ligand-Target Pair