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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 = 'BDBM50548320'   
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))
BDBM50548320
PNG
(CHEMBL4754944)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@]5(CC[C@@H]2N[C@@H](Cc1ccccc1)C(O)=O)OC)ccc3O |r,THB:10:9:14:4.5.6|
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.950n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membranes incubated for 45 mins by liquid scintillation counting method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.8b01327
BindingDB Entry DOI: 10.7270/Q2RB7870
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50548320
PNG
(CHEMBL4754944)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@]5(CC[C@@H]2N[C@@H](Cc1ccccc1)C(O)=O)OC)ccc3O |r,THB:10:9:14:4.5.6|
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 0.380n/an/an/an/a


TBA

Assay Description
Agonist activity at human MOR expressed in CHO cell membranes incubated for 60 mins scintillation counting assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.8b01327
BindingDB Entry DOI: 10.7270/Q2RB7870
More data for this
Ligand-Target Pair