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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 = 'BDBM50148257'   
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))
BDBM50148257
PNG
(CHEMBL3764219)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC(F)(F)C[C@@H]1C(N)=O |r|
Show InChI InChI=1S/C28H33F2N5O5/c29-28(30)15-23(24(32)37)35(16-28)27(40)21(14-17-5-2-1-3-6-17)33-25(38)22-7-4-12-34(22)26(39)20(31)13-18-8-10-19(36)11-9-18/h1-3,5-6,8-11,20-23,36H,4,7,12-16,31H2,(H2,32,37)(H,33,38)/t20-,21-,22-,23+/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
13n/an/an/an/an/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from MOR in Wistar rat brain homogenate by scintillation counting analysis


Bioorg Med Chem 24: 1582-8 (2016)


Article DOI: 10.1016/j.bmc.2016.02.034
BindingDB Entry DOI: 10.7270/Q2Z321H7
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50148257
PNG
(CHEMBL3764219)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC(F)(F)C[C@@H]1C(N)=O |r|
Show InChI InChI=1S/C28H33F2N5O5/c29-28(30)15-23(24(32)37)35(16-28)27(40)21(14-17-5-2-1-3-6-17)33-25(38)22-7-4-12-34(22)26(39)20(31)13-18-8-10-19(36)11-9-18/h1-3,5-6,8-11,20-23,36H,4,7,12-16,31H2,(H2,32,37)(H,33,38)/t20-,21-,22-,23+/m0/s1
PDB

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KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 20n/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MOR expressed in CHO cells by calcium mobilization assay


Bioorg Med Chem 24: 1582-8 (2016)


Article DOI: 10.1016/j.bmc.2016.02.034
BindingDB Entry DOI: 10.7270/Q2Z321H7
More data for this
Ligand-Target Pair