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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 = 'BDBM50226244'   
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))
BDBM50226244
PNG
(6-(2-isopentyl-2,3,4,5-tetrahydro-1H-benzo[c]azepi...)
Show SMILES CC(C)CCN1CCCc2cc(Oc3ccc(cn3)C(N)=O)ccc2C1
Show InChI InChI=1S/C21H27N3O2/c1-15(2)9-11-24-10-3-4-16-12-19(7-5-18(16)14-24)26-20-8-6-17(13-23-20)21(22)25/h5-8,12-13,15H,3-4,9-11,14H2,1-2H3,(H2,22,25)
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Article
PubMed
78n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from cloned human kappa opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 6841-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.025
BindingDB Entry DOI: 10.7270/Q2125TGQ
More data for this
Ligand-Target Pair