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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 = 'BDBM50353657'   
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))
BDBM50353657
PNG
(CHEMBL1829947)
Show SMILES Cc1n(c(C)c2c1c(=O)[nH]n(CCN1CCN(CC1)c1ccccc1F)c2=O)-c1ccccc1
Show InChI InChI=1S/C26H28FN5O2/c1-18-23-24(19(2)32(18)20-8-4-3-5-9-20)26(34)31(28-25(23)33)17-14-29-12-15-30(16-13-29)22-11-7-6-10-21(22)27/h3-11H,12-17H2,1-2H3,(H,28,33)
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PC cid
PC sid
UniChem

Similars

Article
PubMed
1.11E+4n/an/an/an/an/an/an/an/a



Wroclaw Medical University

Curated by ChEMBL


Assay Description
Displacement of [3H]-dihydromorphine from mu opioid receptor in rat cerebral cortex by liquid scintillation counting


Eur J Med Chem 46: 4992-9 (2011)


Article DOI: 10.1016/j.ejmech.2011.08.006
BindingDB Entry DOI: 10.7270/Q27S7P5W
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50353657
PNG
(CHEMBL1829947)
Show SMILES Cc1n(c(C)c2c1c(=O)[nH]n(CCN1CCN(CC1)c1ccccc1F)c2=O)-c1ccccc1
Show InChI InChI=1S/C26H28FN5O2/c1-18-23-24(19(2)32(18)20-8-4-3-5-9-20)26(34)31(28-25(23)33)17-14-29-12-15-30(16-13-29)22-11-7-6-10-21(22)27/h3-11H,12-17H2,1-2H3,(H,28,33)
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.42E+4n/an/an/an/an/an/a



Wroclaw Medical University

Curated by ChEMBL


Assay Description
Displacement of [3H]-dihydromorphine from mu opioid receptor in rat cerebral cortex by liquid scintillation counting


Eur J Med Chem 46: 4992-9 (2011)


Article DOI: 10.1016/j.ejmech.2011.08.006
BindingDB Entry DOI: 10.7270/Q27S7P5W
More data for this
Ligand-Target Pair