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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 = 'BDBM50017231'   
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))
BDBM50017231
PNG
((4aS,9aR)-4a-Ethyl-2-phenethyl-1,2,3,4,4a,9a-hexah...)
Show SMILES CC[C@@]12CCN(CCc3ccccc3)C[C@@H]1Oc1ccc(O)cc21
Show InChI InChI=1S/C21H25NO2/c1-2-21-11-13-22(12-10-16-6-4-3-5-7-16)15-20(21)24-19-9-8-17(23)14-18(19)21/h3-9,14,20,23H,2,10-13,15H2,1H3/t20-,21-/m0/s1
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PC cid
PC sid
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Article
PubMed
75n/an/an/an/an/an/an/an/a



NIDA

Curated by ChEMBL


Assay Description
Displacement of [3H]DADLE from delta opioid receptor expressed in CHO cells


Bioorg Med Chem 18: 91-9 (2010)


Article DOI: 10.1016/j.bmc.2009.11.022
BindingDB Entry DOI: 10.7270/Q21836KX
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50017231
PNG
((4aS,9aR)-4a-Ethyl-2-phenethyl-1,2,3,4,4a,9a-hexah...)
Show SMILES CC[C@@]12CCN(CCc3ccccc3)C[C@@H]1Oc1ccc(O)cc21
Show InChI InChI=1S/C21H25NO2/c1-2-21-11-13-22(12-10-16-6-4-3-5-7-16)15-20(21)24-19-9-8-17(23)14-18(19)21/h3-9,14,20,23H,2,10-13,15H2,1H3/t20-,21-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
75n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse and the National Institute on Alcohol Abuse and Alcoholi

Curated by ChEMBL


Assay Description
Displacement of [3H]DADLE from human recombinant delta opioid receptor expressed in CHO cells


J Med Chem 52: 7570-9 (2009)


Article DOI: 10.1021/jm9004225
BindingDB Entry DOI: 10.7270/Q2FF3SFM
More data for this
Ligand-Target Pair