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Compile Data Set for Download or QSAR
maximum 50k data
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
(change energy unit to
kcal/mol
)
Found
10
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Target
Beta-2 adrenergic receptor
(Homo sapiens (Human))
Novartis Institutes For Biomedical Research
Curated by
ChEMBL
Ligand
BDBM50128690
(4-Hydroxy-7-{2-[2-(3-phenethyloxy-propane-1-sulfon...)
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Affinity Data
Ki: 4nM
Assay Description:
Binding affinity to human beta2-adrenoceptor by radioligand binding assay
More data for this Ligand-Target Pair
Target Info
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Target
Beta-1 adrenergic receptor
(Homo sapiens (Human))
Novartis Institutes For Biomedical Research
Curated by
ChEMBL
Ligand
BDBM50128690
(4-Hydroxy-7-{2-[2-(3-phenethyloxy-propane-1-sulfon...)
Copy SMILES
Copy InChI
Affinity Data
Ki: 3.92E+3nM
Assay Description:
Binding affinity to human beta1-adrenoceptor by radioligand binding assay
More data for this Ligand-Target Pair
Target Info
PDB
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KEGG
UniProtKB/SwissProt
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antibodypedia
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Target
cAMP-specific 3',5'-cyclic phosphodiesterase 4A
(Homo sapiens (Human))
Merck Frosst Centre For Therapeutic Research
Curated by
ChEMBL
Ligand
BDBM50128690
(4-Hydroxy-7-{2-[2-(3-phenethyloxy-propane-1-sulfon...)
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Affinity Data
IC50: 38nM
Assay Description:
In vitro inhibitory activity was determined against human Phosphodiesterase 4 isoform using a construct representing the common region of spliced var...
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
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KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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CHEMBL
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Target
D(2) dopamine receptor
(Homo sapiens (Human))
Astrazeneca
Curated by
ChEMBL
Ligand
BDBM50128690
(4-Hydroxy-7-{2-[2-(3-phenethyloxy-propane-1-sulfon...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 100nM
Assay Description:
Binding affinity to dopamine 2 receptor
More data for this Ligand-Target Pair
Target Info
PDB
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KEGG
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DrugBank
antibodypedia
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Ligand Info
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Target
Bile salt export pump
(Homo sapiens (Human))
Astrazeneca
Curated by
ChEMBL
Ligand
BDBM50128690
(4-Hydroxy-7-{2-[2-(3-phenethyloxy-propane-1-sulfon...)
Copy SMILES
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Affinity Data
IC50: <1.00E+4nM
Assay Description:
In vitro displacement of [3H]ICS-205-930 from 5-hydroxytryptamine 3 receptor in cultured NG-108-15 rat glioma cells
More data for this Ligand-Target Pair
Target Info
PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
Ligand Info
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CHEMBL
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PC sid
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In Depth
Details
Article
PubMed
Copy BDB DOI
Target
Beta-1 adrenergic receptor
(Homo sapiens (Human))
Novartis Institutes For Biomedical Research
Curated by
ChEMBL
Ligand
BDBM50128690
(4-Hydroxy-7-{2-[2-(3-phenethyloxy-propane-1-sulfon...)
Copy SMILES
Copy InChI
Affinity Data
IC50: <1.00E+4nM
Assay Description:
Binding affinity to beta1 adrenoceptor
More data for this Ligand-Target Pair
Target Info
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
Ligand Info
Purchase
CHEMBL
PC cid
PC sid
Patents
Similars
In Depth
Details
Article
PubMed
Copy BDB DOI
Target
Beta-1 adrenergic receptor
(Homo sapiens (Human))
Novartis Institutes For Biomedical Research
Curated by
ChEMBL
Ligand
BDBM50128690
(4-Hydroxy-7-{2-[2-(3-phenethyloxy-propane-1-sulfon...)
Copy SMILES
Copy InChI
Affinity Data
IC50: <1.00E+4nM
Assay Description:
Binding affinity to adrenergic beta1 receptor
More data for this Ligand-Target Pair
Target Info
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
Ligand Info
Purchase
CHEMBL
PC cid
PC sid
Patents
Similars
In Depth
Details
Article
PubMed
Copy BDB DOI
Target
Beta-2 adrenergic receptor
(Homo sapiens (Human))
Novartis Institutes For Biomedical Research
Curated by
ChEMBL
Ligand
BDBM50128690
(4-Hydroxy-7-{2-[2-(3-phenethyloxy-propane-1-sulfon...)
Copy SMILES
Copy InChI
Affinity Data
EC50: 0.631nM
Assay Description:
Agonist activity at human adrenergic beta2 receptor expressed in H292 cells assessed as stimulation of cAMP accumulation after 60 mins
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
Purchase
CHEMBL
PC cid
PC sid
Patents
Similars
In Depth
Details
Article
PubMed
Copy BDB DOI
Target
D(2) dopamine receptor
(Homo sapiens (Human))
Astrazeneca
Curated by
ChEMBL
Ligand
BDBM50128690
(4-Hydroxy-7-{2-[2-(3-phenethyloxy-propane-1-sulfon...)
Copy SMILES
Copy InChI
Affinity Data
EC50: 4.5nM
Assay Description:
Agonist activity at human dopamine D2 receptor expressed in CHO cells assessed as increase in GTPgamma35S binding by scintillation proximity assay
More data for this Ligand-Target Pair
Target Info
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
Ligand Info
Purchase
CHEMBL
PC cid
PC sid
Patents
Similars
In Depth
Details
Article
PubMed
Copy BDB DOI
Target
Beta-2 adrenergic receptor
(Homo sapiens (Human))
Novartis Institutes For Biomedical Research
Curated by
ChEMBL
Ligand
BDBM50128690
(4-Hydroxy-7-{2-[2-(3-phenethyloxy-propane-1-sulfon...)
Copy SMILES
Copy InChI
Affinity Data
EC50: 0.631nM
Assay Description:
Agonist activity at human beta2 adrenoceptor expressed in H292 cells assessed as increase in cAMP accumulation after 60 mins by spectrophotometry
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
Ligand Info
Purchase
CHEMBL
PC cid
PC sid
Patents
Similars
In Depth
Details
Article
PubMed
Copy BDB DOI