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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 = 'BDBM50072453'   
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


(Homo sapiens (Human))
BDBM50072453
PNG
(3-((4aS,10aS)-2,10a-Dimethyl-1,3,4,5,10,10a-hexahy...)
Show SMILES CN1CC[C@@]2(Cc3ccccc3C[C@]2(C)C1)c1cccc(O)c1
Show InChI InChI=1S/C21H25NO/c1-20-13-16-6-3-4-7-17(16)14-21(20,10-11-22(2)15-20)18-8-5-9-19(23)12-18/h3-9,12,23H,10-11,13-15H2,1-2H3/t20-,21-/m1/s1
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PC cid
PC sid
UniChem

Similars

PubMed
222n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [35S]-GTP-gammaS, binding in Guinea pig Caudate stimulated by the Opioid receptor delta 1 agonist Delta-SNC...


Bioorg Med Chem Lett 8: 3149-52 (1999)


BindingDB Entry DOI: 10.7270/Q2S75FGQ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50072453
PNG
(3-((4aS,10aS)-2,10a-Dimethyl-1,3,4,5,10,10a-hexahy...)
Show SMILES CN1CC[C@@]2(Cc3ccccc3C[C@]2(C)C1)c1cccc(O)c1
Show InChI InChI=1S/C21H25NO/c1-20-13-16-6-3-4-7-17(16)14-21(20,10-11-22(2)15-20)18-8-5-9-19(23)12-18/h3-9,12,23H,10-11,13-15H2,1-2H3/t20-,21-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
>5.71E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity was determined as ability to displace [3H]-DADLE radioligand from Opioid receptor delta 1


Bioorg Med Chem Lett 8: 3149-52 (1999)


BindingDB Entry DOI: 10.7270/Q2S75FGQ
More data for this
Ligand-Target Pair