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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 = 'BDBM50000571'   
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))
BDBM50000571
PNG
(3-(2,9-Dimethyl-2-aza-bicyclo[3.3.1]non-5-yl)-phen...)
Show SMILES C[C@@H]1C2CCCC1(CCN2C)c1cccc(O)c1 |TLB:10:9:1:5.3.4,THB:0:1:9.7.8:5.3.4|
Show InChI InChI=1S/C16H23NO/c1-12-15-7-4-8-16(12,9-10-17(15)2)13-5-3-6-14(18)11-13/h3,5-6,11-12,15,18H,4,7-10H2,1-2H3/t12-,15?,16?/m1/s1
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PC cid
PC sid
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Similars

PubMed
>500n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards opioid receptor mu 1


J Med Chem 35: 1521-5 (1992)


BindingDB Entry DOI: 10.7270/Q22806JN
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50000571
PNG
(3-(2,9-Dimethyl-2-aza-bicyclo[3.3.1]non-5-yl)-phen...)
Show SMILES C[C@@H]1C2CCCC1(CCN2C)c1cccc(O)c1 |TLB:10:9:1:5.3.4,THB:0:1:9.7.8:5.3.4|
Show InChI InChI=1S/C16H23NO/c1-12-15-7-4-8-16(12,9-10-17(15)2)13-5-3-6-14(18)11-13/h3,5-6,11-12,15,18H,4,7-10H2,1-2H3/t12-,15?,16?/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
>500n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Opioid receptor delta 1


J Med Chem 35: 1521-5 (1992)


BindingDB Entry DOI: 10.7270/Q22806JN
More data for this
Ligand-Target Pair