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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 = 'BDBM50008894'   
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))
BDBM50008894
PNG
(1-(2-Pyrrolidin-1-ylmethyl-piperidin-1-yl)-2-p-tol...)
Show SMILES Cc1ccc(CC(=O)N2CCCCC2CN2CCCC2)cc1
Show InChI InChI=1S/C19H28N2O/c1-16-7-9-17(10-8-16)14-19(22)21-13-3-2-6-18(21)15-20-11-4-5-12-20/h7-10,18H,2-6,11-15H2,1H3
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.80n/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)
BDBM50008894
PNG
(1-(2-Pyrrolidin-1-ylmethyl-piperidin-1-yl)-2-p-tol...)
Show SMILES Cc1ccc(CC(=O)N2CCCCC2CN2CCCC2)cc1
Show InChI InChI=1S/C19H28N2O/c1-16-7-9-17(10-8-16)14-19(22)21-13-3-2-6-18(21)15-20-11-4-5-12-20/h7-10,18H,2-6,11-15H2,1H3
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