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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'mu/kappa opioid receptor' and Ligand = 'BDBM50008896'   
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
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50008896
PNG
(1-(2-Pyrrolidin-1-ylmethyl-piperidin-1-yl)-2-(2-tr...)
Show SMILES FC(F)(F)c1ccccc1CC(=O)N1CCCCC1CN1CCCC1
Show InChI InChI=1S/C19H25F3N2O/c20-19(21,22)17-9-2-1-7-15(17)13-18(25)24-12-4-3-8-16(24)14-23-10-5-6-11-23/h1-2,7,9,16H,3-6,8,10-14H2
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
8.5n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-U-69,593 from kappa opioid receptors in guine pig brain (minus cerebellum).


J Med Chem 34: 397-403 (1991)


Article DOI: 10.1021/jm00105a061
BindingDB Entry DOI: 10.7270/Q23777N1
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50008896
PNG
(1-(2-Pyrrolidin-1-ylmethyl-piperidin-1-yl)-2-(2-tr...)
Show SMILES FC(F)(F)c1ccccc1CC(=O)N1CCCCC1CN1CCCC1
Show InChI InChI=1S/C19H25F3N2O/c20-19(21,22)17-9-2-1-7-15(17)13-18(25)24-12-4-3-8-16(24)14-23-10-5-6-11-23/h1-2,7,9,16H,3-6,8,10-14H2
UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAGO from mu opioid receptors in guinea pig brain (minus cerebellum).


J Med Chem 34: 397-403 (1991)


Article DOI: 10.1021/jm00105a061
BindingDB Entry DOI: 10.7270/Q23777N1
More data for this
Ligand-Target Pair