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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 = 'BDBM199370'   
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))
BDBM199370
PNG
(US9221831, 35)
Show SMILES COCCOCCOCCOc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccccc1)OC |r,THB:35:34:24.25:31.30|
Show InChI InChI=1S/C38H51NO7/c1-40-16-17-42-18-19-43-20-21-45-31-11-10-29-22-32-36-12-13-38(41-2,30(23-36)26-44-25-28-6-4-3-5-7-28)35-37(36,33(29)34(31)46-35)14-15-39(32)24-27-8-9-27/h3-7,10-11,27,30,32,35H,8-9,12-26H2,1-2H3/t30-,32-,35-,36-,37+,38-/m1/s1
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
25.4 -43.4n/an/an/an/an/a7.425



Purdue Pharma, L.P.

US Patent


Assay Description
Delta-opioid Receptor Binding Assay Procedures were conducted as follows. Radioligand dose-displacement assays used 0.3 nM [3H]-Naltrindole (Perkin...


US Patent US9221831 (2015)


BindingDB Entry DOI: 10.7270/Q2T72G8M
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM199370
PNG
(US9221831, 35)
Show SMILES COCCOCCOCCOc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccccc1)OC |r,THB:35:34:24.25:31.30|
Show InChI InChI=1S/C38H51NO7/c1-40-16-17-42-18-19-43-20-21-45-31-11-10-29-22-32-36-12-13-38(41-2,30(23-36)26-44-25-28-6-4-3-5-7-28)35-37(36,33(29)34(31)46-35)14-15-39(32)24-27-8-9-27/h3-7,10-11,27,30,32,35H,8-9,12-26H2,1-2H3/t30-,32-,35-,36-,37+,38-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 57.2n/an/a7.425



Purdue Pharma, L.P.

US Patent


Assay Description
Functional [35S]GTPgammaS binding assays were conducted as follows. Delta opioid receptor membrane solution was prepared by sequentially adding fin...


US Patent US9221831 (2015)


BindingDB Entry DOI: 10.7270/Q2T72G8M
More data for this
Ligand-Target Pair