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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Opioid receptors; mu & delta' and Ligand = 'BDBM50346473'   
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
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50346473
PNG
(CHEMBL1782987 | rel-(1RS,2RS,6SR)-7-benzyl-9-[2-(3...)
Show SMILES Clc1ccc(CC(=O)N2CC3CCCC(C2CN3Cc2ccccc2)N2CCCC2)cc1Cl |TLB:25:14:8.9:17.16,THB:18:17:8.9:14.13.12.11|
Show InChI InChI=1S/C27H33Cl2N3O/c28-23-12-11-21(15-24(23)29)16-27(33)32-18-22-9-6-10-25(30-13-4-5-14-30)26(32)19-31(22)17-20-7-2-1-3-8-20/h1-3,7-8,11-12,15,22,25-26H,4-6,9-10,13-14,16-19H2
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
150n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in rat brain membranes


Eur J Med Chem 46: 1972-82 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.064
BindingDB Entry DOI: 10.7270/Q2PV6KQ5
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50346473
PNG
(CHEMBL1782987 | rel-(1RS,2RS,6SR)-7-benzyl-9-[2-(3...)
Show SMILES Clc1ccc(CC(=O)N2CC3CCCC(C2CN3Cc2ccccc2)N2CCCC2)cc1Cl |TLB:25:14:8.9:17.16,THB:18:17:8.9:14.13.12.11|
Show InChI InChI=1S/C27H33Cl2N3O/c28-23-12-11-21(15-24(23)29)16-27(33)32-18-22-9-6-10-25(30-13-4-5-14-30)26(32)19-31(22)17-20-7-2-1-3-8-20/h1-3,7-8,11-12,15,22,25-26H,4-6,9-10,13-14,16-19H2
PDB

Reactome pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
324n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in rat brain membranes


Eur J Med Chem 46: 1972-82 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.064
BindingDB Entry DOI: 10.7270/Q2PV6KQ5
More data for this
Ligand-Target Pair