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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 = 'BDBM50037591'   
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


(Mus musculus (Mouse))
BDBM50037591
PNG
(6-(2-{(S)-2-[(Ethyl-methyl-amino)-methyl]-piperidi...)
Show SMILES CCN(C)C[C@@H]1CCCCN1C(=O)Cc1ccc2C(=O)CCCc2c1
Show InChI InChI=1S/C21H30N2O2/c1-3-22(2)15-18-8-4-5-12-23(18)21(25)14-16-10-11-19-17(13-16)7-6-9-20(19)24/h10-11,13,18H,3-9,12,14-15H2,1-2H3/t18-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
10.3n/an/an/an/an/an/an/an/a



SmithKline Beecham Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Evaluated for the binding affinity at kappa receptor


J Med Chem 37: 3482-91 (1994)


BindingDB Entry DOI: 10.7270/Q2W37VB6
More data for this
Ligand-Target Pair