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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 = 'BDBM50130606'   
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))
BDBM50130606
PNG
(19-methoxy-24-methyl-26-[1-phenyl-(E)-methylidene]...)
Show SMILES COc1ccc2CC3N(C)CC[C@@]4([C@@H]5\C(C[C@]34Cc3c5[nH]c4ccccc34)=C\c3ccccc3)c2c1O |TLB:35:34:16:8.11.10,4:5:16:8.11.10|
Show InChI InChI=1S/C33H32N2O2/c1-35-15-14-33-28-22(16-20-8-4-3-5-9-20)18-32(33,19-24-23-10-6-7-11-25(23)34-30(24)28)27(35)17-21-12-13-26(37-2)31(36)29(21)33/h3-13,16,27-28,34,36H,14-15,17-19H2,1-2H3/b22-16+/t27?,28-,32+,33-/m1/s1
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PC cid
PC sid
UniChem
Article
PubMed
16n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Binding affinity for human Opioid receptor delta 1 transfected into chinese hamster ovary cells by displacing [3H]CI-DPDPE radioligand


J Med Chem 46: 3174-7 (2003)


Article DOI: 10.1021/jm030801n
BindingDB Entry DOI: 10.7270/Q2TH8NGD
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50130606
PNG
(19-methoxy-24-methyl-26-[1-phenyl-(E)-methylidene]...)
Show SMILES COc1ccc2CC3N(C)CC[C@@]4([C@@H]5\C(C[C@]34Cc3c5[nH]c4ccccc34)=C\c3ccccc3)c2c1O |TLB:35:34:16:8.11.10,4:5:16:8.11.10|
Show InChI InChI=1S/C33H32N2O2/c1-35-15-14-33-28-22(16-20-8-4-3-5-9-20)18-32(33,19-24-23-10-6-7-11-25(23)34-30(24)28)27(35)17-21-12-13-26(37-2)31(36)29(21)33/h3-13,16,27-28,34,36H,14-15,17-19H2,1-2H3/b22-16+/t27?,28-,32+,33-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 43n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Agonistic activity towards Opioid receptor delta 1


J Med Chem 46: 3174-7 (2003)


Article DOI: 10.1021/jm030801n
BindingDB Entry DOI: 10.7270/Q2TH8NGD
More data for this
Ligand-Target Pair