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Compile Data Set for Download or QSAR
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
(change energy unit to
kcal/mol
)
Found
15
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Target
Beta-2 adrenergic receptor
(Homo sapiens (Human))
University Of Florence
Curated by
ChEMBL
Ligand
BDBM50292219
((-)-3-morpholino-4-(3-tert-butylamino-2-hydroxypro...)
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Affinity Data
Ki: 0.209nM
Assay Description:
Displacement of [3H]-CGP12177 from human beta2 ADR expressed in HEK293T cell membrane after 90 mins by scintillation counting
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Target
Beta-1 adrenergic receptor
(Homo sapiens (Human))
University Of Florence
Curated by
ChEMBL
Ligand
BDBM50292219
((-)-3-morpholino-4-(3-tert-butylamino-2-hydroxypro...)
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Affinity Data
Ki: 5.40nM
Assay Description:
Displacement of [3H]-CGP12177 from human beta1 ADR expressed in HEK293T cell membranes after 90 mins by scintillation counting
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Target
5-hydroxytryptamine receptor 1A
(Rattus norvegicus (rat))
Universit£
Curated by
ChEMBL
Ligand
BDBM50292219
((-)-3-morpholino-4-(3-tert-butylamino-2-hydroxypro...)
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Affinity Data
Ki: 617nM
Assay Description:
Binding affinity of a compound to rat brain 5-hydroxytryptamine 1A (serotonin) receptor assayed by radiolabeled [3H]-8-OH-DPAT ligand displacement
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Target
Cytochrome P450 2D6
(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by
ChEMBL
Ligand
BDBM50292219
((-)-3-morpholino-4-(3-tert-butylamino-2-hydroxypro...)
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Affinity Data
IC50: 1.10E+4nM
Assay Description:
Inhibitory activity against recombinant human Cytochrome P450 2D6 (CYP2D6) after incubated for 45 minutes
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Target
ATP-binding cassette sub-family C member 2
(Homo sapiens (Human))
Amgen
Curated by
ChEMBL
Ligand
BDBM50292219
((-)-3-morpholino-4-(3-tert-butylamino-2-hydroxypro...)
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Affinity Data
IC50: >1.33E+5nM
Assay Description:
Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...
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Target
ATP-binding cassette sub-family C member 4
(Homo sapiens (Human))
Amgen
Curated by
ChEMBL
Ligand
BDBM50292219
((-)-3-morpholino-4-(3-tert-butylamino-2-hydroxypro...)
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Affinity Data
IC50: >1.33E+5nM
Assay Description:
Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...
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Target
ATP-binding cassette sub-family C member 3
(Homo sapiens (Human))
Amgen
Curated by
ChEMBL
Ligand
BDBM50292219
((-)-3-morpholino-4-(3-tert-butylamino-2-hydroxypro...)
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Affinity Data
IC50: >1.33E+5nM
Assay Description:
Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ...
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Target
Bile salt export pump
(Homo sapiens (Human))
Amgen
Curated by
ChEMBL
Ligand
BDBM50292219
((-)-3-morpholino-4-(3-tert-butylamino-2-hydroxypro...)
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Affinity Data
IC50: >1.33E+5nM
Assay Description:
Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ...
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Target
Bile salt export pump
(Homo sapiens (Human))
Amgen
Curated by
ChEMBL
Ligand
BDBM50292219
((-)-3-morpholino-4-(3-tert-butylamino-2-hydroxypro...)
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Affinity Data
IC50: >1.35E+5nM
Assay Description:
Inhibition of human BSEP expressed in fall armyworm sf9 cell plasma membrane vesicles assessed as reduction in vesicle-associated [3H]-taurocholate t...
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Target
Bile salt export pump
(Homo sapiens (Human))
Amgen
Curated by
ChEMBL
Ligand
BDBM25767
(Timolol | racemic-Timolol | tert-butyl(2-hydroxy-3...)
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Affinity Data
IC50: >1.00E+6nM
Assay Description:
Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-...
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Target
Beta-1 adrenergic receptor
(GUINEA PIG)
TBA
Curated by
ChEMBL
Ligand
BDBM50292219
((-)-3-morpholino-4-(3-tert-butylamino-2-hydroxypro...)
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Affinity Data
Kd: 0.363nM
Assay Description:
In vitro beta-1 adrenergic receptor activity was determined via inhibition of the positive chronotropic actions of isoproterenol in isolated guinea p...
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Target Info
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Target
Beta-3 adrenergic receptor
(Homo sapiens (Human))
University of Nottingham
Ligand
BDBM25767
(Timolol | racemic-Timolol | tert-butyl(2-hydroxy-3...)
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Affinity Data
Kd: 158nM
Assay Description:
The whole cell-binding studies were undertaken in CHO cell lines stably expressing each beta-adrenoceptor subtype. Nonspecific binding was determined...
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Target
Beta-2 adrenergic receptor
(Homo sapiens (Human))
University Of Florence
Curated by
ChEMBL
Ligand
BDBM25767
(Timolol | racemic-Timolol | tert-butyl(2-hydroxy-3...)
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Affinity Data
Kd: 0.210nM
Assay Description:
The whole cell-binding studies were undertaken in CHO cell lines stably expressing each beta-adrenoceptor subtype. Nonspecific binding was determined...
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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ChEBI
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Copy BDB DOI
Target
Beta-1 adrenergic receptor
(Homo sapiens (Human))
University Of Florence
Curated by
ChEMBL
Ligand
BDBM25767
(Timolol | racemic-Timolol | tert-butyl(2-hydroxy-3...)
Copy SMILES
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Affinity Data
Kd: 5.35nM
pH: 7.4 T: 2°C
Assay Description:
The whole cell-binding studies were undertaken in CHO cell lines stably expressing each beta-adrenoceptor subtype. Nonspecific binding was determined...
More data for this Ligand-Target Pair
Target Info
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
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GoogleScholar
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ChEBI
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Copy BDB DOI
Target
Beta-2 adrenergic receptor
(GUINEA PIG)
TBA
Curated by
ChEMBL
Ligand
BDBM50292219
((-)-3-morpholino-4-(3-tert-butylamino-2-hydroxypro...)
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Copy InChI
Affinity Data
Kd: 0.240nM
Assay Description:
In vitro beta-2 adrenergic receptor activity was determined by measuring inhibition of the isoproterenol induced relaxation in isolated guinea pig tr...
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
Ligand Info
Purchase
ChEBI
CHEMBL
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In Depth
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