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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50493360'   
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
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50493360
PNG
(CHEMBL2425428)
Show SMILES OC(=O)C(F)(F)F.CN([C@@H](Cc1ccccc1)C(=O)NCCO)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1 |r|
Show InChI InChI=1S/C35H43N5O6.C2HF3O2/c1-39(31(32(43)37-18-20-41)23-25-11-6-3-7-12-25)35(46)29(22-24-9-4-2-5-10-24)38-33(44)30-13-8-19-40(30)34(45)28(36)21-26-14-16-27(42)17-15-26;3-2(4,5)1(6)7/h2-7,9-12,14-17,28-31,41-42H,8,13,18-23,36H2,1H3,(H,37,43)(H,38,44);(H,6,7)/t28-,29-,30-,31-;/m0./s1
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B.MOAD
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
224n/an/an/an/an/an/an/an/a



Universit£ degli Studi "G. d'Annunzio" di Chieti-Pescara

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in Wistar rat brain membranes by liquid scintillation counting


Eur J Med Chem 68: 167-77 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.044
BindingDB Entry DOI: 10.7270/Q2D79FCG
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50493360
PNG
(CHEMBL2425428)
Show SMILES OC(=O)C(F)(F)F.CN([C@@H](Cc1ccccc1)C(=O)NCCO)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1 |r|
Show InChI InChI=1S/C35H43N5O6.C2HF3O2/c1-39(31(32(43)37-18-20-41)23-25-11-6-3-7-12-25)35(46)29(22-24-9-4-2-5-10-24)38-33(44)30-13-8-19-40(30)34(45)28(36)21-26-14-16-27(42)17-15-26;3-2(4,5)1(6)7/h2-7,9-12,14-17,28-31,41-42H,8,13,18-23,36H2,1H3,(H,37,43)(H,38,44);(H,6,7)/t28-,29-,30-,31-;/m0./s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.00E+14n/an/an/an/an/an/a



Universit£ degli Studi "G. d'Annunzio" di Chieti-Pescara

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in Wistar rat brain membranes by liquid scintillation counting


Eur J Med Chem 68: 167-77 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.044
BindingDB Entry DOI: 10.7270/Q2D79FCG
More data for this
Ligand-Target Pair