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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Delta-type opioid receptor' and Ligand = 'BDBM50190374'   
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
Delta-type opioid receptor


(MOUSE)
BDBM50190374
PNG
(1-{3-[3-(tert-butyl) phenyl]-5-N,N-dimethylaminome...)
Show SMILES CN(C)Cc1nnc(-c2cccc(c2)C(C)(C)C)n1-c1cccc(O)c1
Show InChI InChI=1S/C21H26N4O/c1-21(2,3)16-9-6-8-15(12-16)20-23-22-19(14-24(4)5)25(20)17-10-7-11-18(26)13-17/h6-13,26H,14H2,1-5H3
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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.60E+3n/an/an/an/an/an/an/an/a



University of Medicine and Dentistry of New Jersey-Robert Wood Johnson Medical School and the Informatics Institute of UMDNJ

Curated by ChEMBL


Assay Description
Displacement of [3H]bremazocine from mouse delta opioid receptor expressed in HEK293 cells by liquid scintillation counting


Bioorg Med Chem 17: 6442-50 (2009)


Article DOI: 10.1016/j.bmc.2009.07.007
BindingDB Entry DOI: 10.7270/Q2QZ2B14
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50190374
PNG
(1-{3-[3-(tert-butyl) phenyl]-5-N,N-dimethylaminome...)
Show SMILES CN(C)Cc1nnc(-c2cccc(c2)C(C)(C)C)n1-c1cccc(O)c1
Show InChI InChI=1S/C21H26N4O/c1-21(2,3)16-9-6-8-15(12-16)20-23-22-19(14-24(4)5)25(20)17-10-7-11-18(26)13-17/h6-13,26H,14H2,1-5H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.60E+3n/an/an/an/an/an/an/an/a



University of Medicine and Dentistry of New Jersey and UMDNJ Informatics Institute

Curated by ChEMBL


Assay Description
Inhibition of (-)-[9-3H]bremazocine binding to delta opioid receptor expressed in HEK293 cells


J Med Chem 49: 4044-7 (2006)


Article DOI: 10.1021/jm0601250
BindingDB Entry DOI: 10.7270/Q29S1RV1
More data for this
Ligand-Target Pair