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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 = 'BDBM50055081'   
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))
BDBM50055081
PNG
(CHEMBL3323517)
Show SMILES OC1CCN(C1)C1CCCC2C1N(CCN2Cc1cnc[nH]1)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1/C24H31Cl2N5O2/c25-19-5-4-16(10-20(19)26)11-23(33)31-9-8-30(13-17-12-27-15-28-17)22-3-1-2-21(24(22)31)29-7-6-18(32)14-29/h4-5,10,12,15,18,21-22,24,32H,1-3,6-9,11,13-14H2,(H,27,28)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
49n/an/an/an/an/an/an/an/a



Westf£lische Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]Cl-977 from kappa opioid receptor in guinea pig brain membranes after 2 hrs by scintillation counting analysis


J Med Chem 57: 6845-60 (2014)


Article DOI: 10.1021/jm500940q
BindingDB Entry DOI: 10.7270/Q2G73GDP
More data for this
Ligand-Target Pair