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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 = 'BDBM97712'   
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))
BDBM97712
PNG
(US8476271, 18 | US8846929, 358 | US9145408, 358)
Show SMILES OC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCCCCC2)c1=O |r|
Show InChI InChI=1S/C27H37N3O3/c31-26-25(27(32)33)28-23-13-9-10-14-24(23)30(26)22-17-20-15-16-21(18-22)29(20)19-11-7-5-3-1-2-4-6-8-12-19/h9-10,13-14,19-22H,1-8,11-12,15-18H2,(H,32,33)/t20-,21+,22+
PDB

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UniProtKB/SwissProt

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DrugBank
antibodypedia
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PC cid
PC sid
UniChem

Similars

US Patent
8.90E+3 -28.8n/an/an/an/an/a7.425



Purdue Pharma L.P.; Shionogi & Co., Ltd.

US Patent


Assay Description
Beta-Opioid Receptor Binding Assay Procedures: Radioligand dose-displacement assays used 0.2 nM [3H]-Naltrindole (NEN; 33.0 Ci/mmole) with 10-20 ug m...


US Patent US9145408 (2015)


BindingDB Entry DOI: 10.7270/Q2DJ5DD3
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM97712
PNG
(US8476271, 18 | US8846929, 358 | US9145408, 358)
Show SMILES OC(=O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCCCCC2)c1=O |r|
Show InChI InChI=1S/C27H37N3O3/c31-26-25(27(32)33)28-23-13-9-10-14-24(23)30(26)22-17-20-15-16-21(18-22)29(20)19-11-7-5-3-1-2-4-6-8-12-19/h9-10,13-14,19-22H,1-8,11-12,15-18H2,(H,32,33)/t20-,21+,22+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

US Patent
8.90E+3n/an/an/an/an/an/a7.4n/a



Purdue Pharma L.P.; Shionogi & Co., Ltd.

US Patent


Assay Description
Radioligand dose-displacement assays used 0.2nM [3H]-Naltrindole (NEN; 33.0 Ci/mmole) with 10-20ug membrane protein (recombinant delta opioid recepto...


US Patent US8846929 (2014)


BindingDB Entry DOI: 10.7270/Q2G44P04
More data for this
Ligand-Target Pair