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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 = 'BDBM50545479'   
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))
BDBM50545479
PNG
(CHEMBL4638693)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccccc12)C(=O)Cc1ccccc1)ccc3O |r,THB:25:9:4.5.6:13|
Show InChI InChI=1S/C30H26N2O4/c33-22-11-10-18-15-23-30(35)16-20-19-8-4-5-9-21(19)31-26(20)28-29(30,25(18)27(22)36-28)12-13-32(23)24(34)14-17-6-2-1-3-7-17/h1-11,23,28,31,33,35H,12-16H2/t23-,28+,29+,30-/m1/s1
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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
42n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


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


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127176
BindingDB Entry DOI: 10.7270/Q2W380XV
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50545479
PNG
(CHEMBL4638693)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccccc12)C(=O)Cc1ccccc1)ccc3O |r,THB:25:9:4.5.6:13|
Show InChI InChI=1S/C30H26N2O4/c33-22-11-10-18-15-23-30(35)16-20-19-8-4-5-9-21(19)31-26(20)28-29(30,25(18)27(22)36-28)12-13-32(23)24(34)14-17-6-2-1-3-7-17/h1-11,23,28,31,33,35H,12-16H2/t23-,28+,29+,30-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 132n/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Agonist activity at human delta opioid receptor expressed in CHO cell membranes by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127176
BindingDB Entry DOI: 10.7270/Q2W380XV
More data for this
Ligand-Target Pair