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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 = 'BDBM50000267'   
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))
BDBM50000267
PNG
(2-(3,4-Dichloro-phenyl)-1-(2-dimethylaminomethyl-p...)
Show SMILES CN(C)CC1CCCCN1C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H22Cl2N2O/c1-19(2)11-13-5-3-4-8-20(13)16(21)10-12-6-7-14(17)15(18)9-12/h6-7,9,13H,3-5,8,10-11H2,1-2H3
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.40n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against Opioid receptor kappa 1 subtype in guinea pig brain (minus cerebellum)using [3H]-U-69,593 as ...


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)
BDBM50000267
PNG
(2-(3,4-Dichloro-phenyl)-1-(2-dimethylaminomethyl-p...)
Show SMILES CN(C)CC1CCCCN1C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H22Cl2N2O/c1-19(2)11-13-5-3-4-8-20(13)16(21)10-12-6-7-14(17)15(18)9-12/h6-7,9,13H,3-5,8,10-11H2,1-2H3
UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.05E+3n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against Opioid receptor mu 1 subtype in guinea pig brain (minus cerebellum) using [3H]-DAGO as radiol...


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