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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 = 'BDBM26888'   
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))
BDBM26888
PNG
(8-(diphenylmethyl)-1-phenyl-1,3,8-triazaspiro[4.5]...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H27N3O/c30-25-26(29(20-27-25)23-14-8-3-9-15-23)16-18-28(19-17-26)24(21-10-4-1-5-11-21)22-12-6-2-7-13-22/h1-15,24H,16-20H2,(H,27,30)
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PC cid
PC sid
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Similars

Article
PubMed
3.79E+4n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human delta opioid receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 2281-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.069
BindingDB Entry DOI: 10.7270/Q2T43SRZ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM26888
PNG
(8-(diphenylmethyl)-1-phenyl-1,3,8-triazaspiro[4.5]...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H27N3O/c30-25-26(29(20-27-25)23-14-8-3-9-15-23)16-18-28(19-17-26)24(21-10-4-1-5-11-21)22-12-6-2-7-13-22/h1-15,24H,16-20H2,(H,27,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
3.79E+4n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...


Bioorg Med Chem Lett 19: 1164-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.092
BindingDB Entry DOI: 10.7270/Q2TT4P95
More data for this
Ligand-Target Pair