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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 = 'BDBM50064518'   
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))
BDBM50064518
PNG
(3-{(3R,4R)-1-[(E)-3-(2-Chloro-phenyl)-allyl]-3,4-d...)
Show SMILES C[C@H]1CN(C\C=C\c2ccccc2Cl)CC[C@@]1(C)c1cccc(O)c1
Show InChI InChI=1S/C22H26ClNO/c1-17-16-24(13-6-8-18-7-3-4-11-21(18)23)14-12-22(17,2)19-9-5-10-20(25)15-19/h3-11,15,17,25H,12-14,16H2,1-2H3/b8-6+/t17-,22+/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
1.10n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
The compound was tested for antagonist activity by selective inhibition of [35S]-GTP-gammaS, binding in Guinea pig caudate stimulated by SMC-80 (Opio...


J Med Chem 41: 1980-90 (1998)


Article DOI: 10.1021/jm980063g
BindingDB Entry DOI: 10.7270/Q2K35SSN
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50064518
PNG
(3-{(3R,4R)-1-[(E)-3-(2-Chloro-phenyl)-allyl]-3,4-d...)
Show SMILES C[C@H]1CN(C\C=C\c2ccccc2Cl)CC[C@@]1(C)c1cccc(O)c1
Show InChI InChI=1S/C22H26ClNO/c1-17-16-24(13-6-8-18-7-3-4-11-21(18)23)14-12-22(17,2)19-9-5-10-20(25)15-19/h3-11,15,17,25H,12-14,16H2,1-2H3/b8-6+/t17-,22+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
168n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]DADLE to Opioid receptor delta 1 in guinea pig membranes


J Med Chem 46: 1775-94 (2003)


Article DOI: 10.1021/jm030092d
BindingDB Entry DOI: 10.7270/Q2FF3T3J
More data for this
Ligand-Target Pair