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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50520473'   
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))
BDBM50520473
PNG
(CHEMBL4453368)
Show SMILES CCOc1ccc(Cc2ccccc2)cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r|
Show InChI InChI=1S/C27H32N2O3/c1-4-32-26-11-10-21(14-20-8-6-5-7-9-20)15-22(26)17-29-27(31)25(28)16-24-18(2)12-23(30)13-19(24)3/h5-13,15,25,30H,4,14,16-17,28H2,1-3H3,(H,29,31)/t25-/m0/s1
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2.80n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from rat mu-type opioid receptor expressed in rat C6 cell membranes incubated for 1 hr in shaker by liquid scintil...


J Med Chem 62: 4142-4157 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00219
BindingDB Entry DOI: 10.7270/Q23R0X7F
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50520473
PNG
(CHEMBL4453368)
Show SMILES CCOc1ccc(Cc2ccccc2)cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r|
Show InChI InChI=1S/C27H32N2O3/c1-4-32-26-11-10-21(14-20-8-6-5-7-9-20)15-22(26)17-29-27(31)25(28)16-24-18(2)12-23(30)13-19(24)3/h5-13,15,25,30H,4,14,16-17,28H2,1-3H3,(H,29,31)/t25-/m0/s1
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3.60n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human MOR expressed in CHO cell membranes incubated for 1 hr by liquid scintillation counting assay


J Med Chem 63: 1671-1683 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01818
BindingDB Entry DOI: 10.7270/Q2XG9VH9
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50520473
PNG
(CHEMBL4453368)
Show SMILES CCOc1ccc(Cc2ccccc2)cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r|
Show InChI InChI=1S/C27H32N2O3/c1-4-32-26-11-10-21(14-20-8-6-5-7-9-20)15-22(26)17-29-27(31)25(28)16-24-18(2)12-23(30)13-19(24)3/h5-13,15,25,30H,4,14,16-17,28H2,1-3H3,(H,29,31)/t25-/m0/s1
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n/an/an/an/a 72n/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Agonist activity at human MOR expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgammaS binding incubated for 1 hr by by liquid scin...


J Med Chem 63: 1671-1683 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01818
BindingDB Entry DOI: 10.7270/Q2XG9VH9
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50520473
PNG
(CHEMBL4453368)
Show SMILES CCOc1ccc(Cc2ccccc2)cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r|
Show InChI InChI=1S/C27H32N2O3/c1-4-32-26-11-10-21(14-20-8-6-5-7-9-20)15-22(26)17-29-27(31)25(28)16-24-18(2)12-23(30)13-19(24)3/h5-13,15,25,30H,4,14,16-17,28H2,1-3H3,(H,29,31)/t25-/m0/s1
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n/an/an/an/a 77n/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Agonist activity at rat Mu-type opioid receptor expressed in rat C6 cell membranes assessed as stimulation of [35S]GTPgammaS binding incubated for 1 ...


J Med Chem 62: 4142-4157 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00219
BindingDB Entry DOI: 10.7270/Q23R0X7F
More data for this
Ligand-Target Pair