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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 = 'BDBM50144258'   
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))
BDBM50144258
PNG
(4-[(8-Benzo[1,3]dioxol-5-ylmethyl-8-aza-bicyclo[3....)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1ccc2-[#8]-[#6]-[#8]-c2c1)\c1ccccc1
Show InChI InChI=1S/C33H36N2O3/c1-3-34(4-2)33(36)26-13-11-25(12-14-26)32(24-8-6-5-7-9-24)27-19-28-15-16-29(20-27)35(28)21-23-10-17-30-31(18-23)38-22-37-30/h5-14,17-18,28-29H,3-4,15-16,19-22H2,1-2H3
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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.0100n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for delta opioid receptor


Bioorg Med Chem Lett 14: 2109-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.051
BindingDB Entry DOI: 10.7270/Q25B01X4
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50144258
PNG
(4-[(8-Benzo[1,3]dioxol-5-ylmethyl-8-aza-bicyclo[3....)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1ccc2-[#8]-[#6]-[#8]-c2c1)\c1ccccc1
Show InChI InChI=1S/C33H36N2O3/c1-3-34(4-2)33(36)26-13-11-25(12-14-26)32(24-8-6-5-7-9-24)27-19-28-15-16-29(20-27)35(28)21-23-10-17-30-31(18-23)38-22-37-30/h5-14,17-18,28-29H,3-4,15-16,19-22H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 0.200n/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Effective concentration against stimulation of [35S]-GTP-gammaS, binding in CHO cells transfected with the human opioid receptor delta 1


Bioorg Med Chem Lett 14: 2109-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.051
BindingDB Entry DOI: 10.7270/Q25B01X4
More data for this
Ligand-Target Pair