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Compile Data Set for Download or QSAR
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Found
56
Enz. Inhib. hit(s) with all data for entry = 4721
Target
Beta-1 adrenergic receptor
(Rat)
Niigata College of Pharmacy
Curated by
PDSP K
i
Database
Ligand
BDBM81885
(2-(3-tert-Butylamino-2-hydroxypropylthio)-4-(5-car...)
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Affinity Data
Ki: 0.180nM
More data for this Ligand-Target Pair
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Target
Beta-2 adrenergic receptor
(Rat)
Niigata College of Pharmacy
Curated by
PDSP K
i
Database
Ligand
BDBM50019443
(1-(1H-Indol-4-yloxy)-3-isopropylamino-propan-2-ol ...)
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Affinity Data
Ki: 0.320nM
More data for this Ligand-Target Pair
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Target
Beta-2 adrenergic receptor
(Rat)
Niigata College of Pharmacy
Curated by
PDSP K
i
Database
Ligand
BDBM25761
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)
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Affinity Data
Ki: 0.460nM
More data for this Ligand-Target Pair
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PDB
3D Structure (crystal)
Copy BDB DOI
Target
Beta-2 adrenergic receptor
(Rat)
Niigata College of Pharmacy
Curated by
PDSP K
i
Database
Ligand
BDBM81885
(2-(3-tert-Butylamino-2-hydroxypropylthio)-4-(5-car...)
Copy SMILES
Copy InChI
Affinity Data
Ki: 0.550nM
More data for this Ligand-Target Pair
Target Info
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Target
Beta-2 adrenergic receptor
(Rat)
Niigata College of Pharmacy
Curated by
PDSP K
i
Database
Ligand
BDBM25764
(ALPRENOLOL,(+) | ALPRENOLOL,(-) | Alfeprol | Alphe...)
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Affinity Data
Ki: 0.580nM
More data for this Ligand-Target Pair
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PDB
3D Structure (crystal)
Copy BDB DOI
Target
Beta-1 adrenergic receptor
(Rat)
Niigata College of Pharmacy
Curated by
PDSP K
i
Database
Ligand
BDBM50019443
(1-(1H-Indol-4-yloxy)-3-isopropylamino-propan-2-ol ...)
Copy SMILES
Copy InChI
Affinity Data
Ki: 0.660nM
More data for this Ligand-Target Pair
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Target
Beta-1 adrenergic receptor
(Rat)
Niigata College of Pharmacy
Curated by
PDSP K
i
Database
Ligand
BDBM25761
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)
Copy SMILES
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Affinity Data
Ki: 0.690nM
More data for this Ligand-Target Pair
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Target
Beta-2 adrenergic receptor
(Rat)
Niigata College of Pharmacy
Curated by
PDSP K
i
Database
Ligand
BDBM25768
(1-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-(pro...)
Copy SMILES
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Affinity Data
Ki: 1.78nM
More data for this Ligand-Target Pair
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PDB
3D Structure (crystal)
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Target
Beta-2 adrenergic receptor
(Rat)
Niigata College of Pharmacy
Curated by
PDSP K
i
Database
Ligand
BDBM81886
(CAS_3506-09-0 | CHEMBL287651 | PROPRANOLOL, dl)
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Affinity Data
Ki: 2.45nM
More data for this Ligand-Target Pair
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Copy BDB DOI
Target
Beta-1 adrenergic receptor
(Rat)
Niigata College of Pharmacy
Curated by
PDSP K
i
Database
Ligand
BDBM81886
(CAS_3506-09-0 | CHEMBL287651 | PROPRANOLOL, dl)
Copy SMILES
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Affinity Data
Ki: 2.82nM
More data for this Ligand-Target Pair
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Copy BDB DOI
Target
Beta-1 adrenergic receptor
(Rat)
Niigata College of Pharmacy
Curated by
PDSP K
i
Database
Ligand
BDBM25764
(ALPRENOLOL,(+) | ALPRENOLOL,(-) | Alfeprol | Alphe...)
Copy SMILES
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Affinity Data
Ki: 4.17nM
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Target
Beta-1 adrenergic receptor
(Rat)
Niigata College of Pharmacy
Curated by
PDSP K
i
Database
Ligand
BDBM81882
(CAS_93633-92-2 | YM-09538)
Copy SMILES
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Affinity Data
Ki: 4.37nM
More data for this Ligand-Target Pair
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Target
Beta-1 adrenergic receptor
(Rat)
Niigata College of Pharmacy
Curated by
PDSP K
i
Database
Ligand
BDBM50240370
(1-(2-(allyloxy)phenoxy)-3-(isopropylamino)propan-2...)
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Affinity Data
Ki: 7.76nM
More data for this Ligand-Target Pair
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Target
Beta-2 adrenergic receptor
(Rat)
Niigata College of Pharmacy
Curated by
PDSP K
i
Database
Ligand
BDBM50240370
(1-(2-(allyloxy)phenoxy)-3-(isopropylamino)propan-2...)
Copy SMILES
Copy InChI
Affinity Data
Ki: 9.77nM
More data for this Ligand-Target Pair
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Target
5-hydroxytryptamine receptor 1B
(Rat)
Niigata College of Pharmacy
Curated by
PDSP K
i
Database
Ligand
BDBM81885
(2-(3-tert-Butylamino-2-hydroxypropylthio)-4-(5-car...)
Copy SMILES
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Affinity Data
Ki: 10.7nM
More data for this Ligand-Target Pair
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Target
Beta-1 adrenergic receptor
(Rat)
Niigata College of Pharmacy
Curated by
PDSP K
i
Database
Ligand
BDBM25758
(2-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amin...)
Copy SMILES
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Affinity Data
Ki: 12.0nM
More data for this Ligand-Target Pair
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Target
Beta-1 adrenergic receptor
(Rat)
Niigata College of Pharmacy
Curated by
PDSP K
i
Database
Ligand
BDBM25752
(Betaxolol | Levobetaxolol | [(2S)-3-{4-[2-(cyclopr...)
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Affinity Data
Ki: 12.3nM
More data for this Ligand-Target Pair
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Target
Beta-2 adrenergic receptor
(Rat)
Niigata College of Pharmacy
Curated by
PDSP K
i
Database
Ligand
BDBM81882
(CAS_93633-92-2 | YM-09538)
Copy SMILES
Copy InChI
Affinity Data
Ki: 13.2nM
More data for this Ligand-Target Pair
Target Info
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Copy BDB DOI
Target
Beta-1 adrenergic receptor
(Rat)
Niigata College of Pharmacy
Curated by
PDSP K
i
Database
Ligand
BDBM81881
(l-Metoprolol)
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Affinity Data
Ki: 13.8nM
More data for this Ligand-Target Pair
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Target
Beta-2 adrenergic receptor
(Rat)
Niigata College of Pharmacy
Curated by
PDSP K
i
Database
Ligand
BDBM25761
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)
Copy SMILES
Copy InChI
Affinity Data
Ki: 43.6nM
More data for this Ligand-Target Pair
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PDB
3D Structure (crystal)
Copy BDB DOI
Target
5-hydroxytryptamine receptor 1B
(Rat)
Niigata College of Pharmacy
Curated by
PDSP K
i
Database
Ligand
BDBM81886
(CAS_3506-09-0 | CHEMBL287651 | PROPRANOLOL, dl)
Copy SMILES
Copy InChI
Affinity Data
Ki: 56.2nM
More data for this Ligand-Target Pair
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CHEMBL
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Copy BDB DOI
Target
5-hydroxytryptamine receptor 1B
(Rat)
Niigata College of Pharmacy
Curated by
PDSP K
i
Database
Ligand
BDBM50019443
(1-(1H-Indol-4-yloxy)-3-isopropylamino-propan-2-ol ...)
Copy SMILES
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Affinity Data
Ki: 58.9nM
More data for this Ligand-Target Pair
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Target
Beta-1 adrenergic receptor
(Rat)
Niigata College of Pharmacy
Curated by
PDSP K
i
Database
Ligand
BDBM25756
((2R,3R)-2,3-dihydroxysuccinic acid;1-(isopropylami...)
Copy SMILES
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Affinity Data
Ki: 63.1nM
More data for this Ligand-Target Pair
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Target
Beta-2 adrenergic receptor
(Rat)
Niigata College of Pharmacy
Curated by
PDSP K
i
Database
Ligand
BDBM25758
(2-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amin...)
Copy SMILES
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Affinity Data
Ki: 67.6nM
More data for this Ligand-Target Pair
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Target
5-hydroxytryptamine receptor 1B
(Rat)
Niigata College of Pharmacy
Curated by
PDSP K
i
Database
Ligand
BDBM25764
(ALPRENOLOL,(+) | ALPRENOLOL,(-) | Alfeprol | Alphe...)
Copy SMILES
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Affinity Data
Ki: 70.8nM
More data for this Ligand-Target Pair
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Target
5-hydroxytryptamine receptor 1B
(Rat)
Niigata College of Pharmacy
Curated by
PDSP K
i
Database
Ligand
BDBM25761
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)
Copy SMILES
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Affinity Data
Ki: 77.6nM
More data for this Ligand-Target Pair
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Target
Beta-1 adrenergic receptor
(Rat)
Niigata College of Pharmacy
Curated by
PDSP K
i
Database
Ligand
BDBM25761
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)
Copy SMILES
Copy InChI
Affinity Data
Ki: 81.3nM
More data for this Ligand-Target Pair
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Target
Beta-1 adrenergic receptor
(Rat)
Niigata College of Pharmacy
Curated by
PDSP K
i
Database
Ligand
BDBM25753
(2-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl...)
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Affinity Data
Ki: 97.7nM
More data for this Ligand-Target Pair
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Target
Beta-1 adrenergic receptor
(Rat)
Niigata College of Pharmacy
Curated by
PDSP K
i
Database
Ligand
BDBM25755
(Acebutolol | Acetobutolol | N-{3-acetyl-4-[2-hydro...)
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Affinity Data
Ki: 126nM
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Target
5-hydroxytryptamine receptor 1B
(Rat)
Niigata College of Pharmacy
Curated by
PDSP K
i
Database
Ligand
BDBM50240370
(1-(2-(allyloxy)phenoxy)-3-(isopropylamino)propan-2...)
Copy SMILES
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Affinity Data
Ki: 174nM
More data for this Ligand-Target Pair
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Target
Beta-1 adrenergic receptor
(Rat)
Niigata College of Pharmacy
Curated by
PDSP K
i
Database
Ligand
BDBM25768
(1-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-(pro...)
Copy SMILES
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Affinity Data
Ki: 195nM
More data for this Ligand-Target Pair
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Target
Beta-1 adrenergic receptor
(Rat)
Niigata College of Pharmacy
Curated by
PDSP K
i
Database
Ligand
BDBM25749
(CHEMBL6995 | N-{4-[2-hydroxy-3-(propan-2-ylamino)p...)
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Affinity Data
Ki: 245nM
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Target
Beta-2 adrenergic receptor
(Rat)
Niigata College of Pharmacy
Curated by
PDSP K
i
Database
Ligand
BDBM25762
(CHEMBL471 | N-{4-[1-hydroxy-2-(propan-2-ylamino)et...)
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Affinity Data
Ki: 339nM
More data for this Ligand-Target Pair
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Target
Beta-2 adrenergic receptor
(Rat)
Niigata College of Pharmacy
Curated by
PDSP K
i
Database
Ligand
BDBM81887
(Butoxamine | CAS_1937-89-9)
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Affinity Data
Ki: 468nM
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Target
5-hydroxytryptamine receptor 1B
(Rat)
Niigata College of Pharmacy
Curated by
PDSP K
i
Database
Ligand
BDBM81882
(CAS_93633-92-2 | YM-09538)
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Affinity Data
Ki: 1.29E+3nM
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Target
Beta-2 adrenergic receptor
(Rat)
Niigata College of Pharmacy
Curated by
PDSP K
i
Database
Ligand
BDBM25756
((2R,3R)-2,3-dihydroxysuccinic acid;1-(isopropylami...)
Copy SMILES
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Affinity Data
Ki: 1.70E+3nM
More data for this Ligand-Target Pair
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Copy BDB DOI
Target
5-hydroxytryptamine receptor 1B
(Rat)
Niigata College of Pharmacy
Curated by
PDSP K
i
Database
Ligand
BDBM25758
(2-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amin...)
Copy SMILES
Copy InChI
Affinity Data
Ki: 2.00E+3nM
More data for this Ligand-Target Pair
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Target
Beta-2 adrenergic receptor
(Rat)
Niigata College of Pharmacy
Curated by
PDSP K
i
Database
Ligand
BDBM25752
(Betaxolol | Levobetaxolol | [(2S)-3-{4-[2-(cyclopr...)
Copy SMILES
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Affinity Data
Ki: 2.04E+3nM
More data for this Ligand-Target Pair
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Target
Beta-1 adrenergic receptor
(Rat)
Niigata College of Pharmacy
Curated by
PDSP K
i
Database
Ligand
BDBM25762
(CHEMBL471 | N-{4-[1-hydroxy-2-(propan-2-ylamino)et...)
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Affinity Data
Ki: 2.24E+3nM
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Copy BDB DOI
Target
Beta-2 adrenergic receptor
(Rat)
Niigata College of Pharmacy
Curated by
PDSP K
i
Database
Ligand
BDBM81881
(l-Metoprolol)
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Affinity Data
Ki: 2.45E+3nM
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Copy BDB DOI
Target
Beta-2 adrenergic receptor
(Rat)
Niigata College of Pharmacy
Curated by
PDSP K
i
Database
Ligand
BDBM25753
(2-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl...)
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Affinity Data
Ki: 2.82E+3nM
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Copy BDB DOI
Target
Beta-1 adrenergic receptor
(Rat)
Niigata College of Pharmacy
Curated by
PDSP K
i
Database
Ligand
BDBM81887
(Butoxamine | CAS_1937-89-9)
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Affinity Data
Ki: 3.72E+3nM
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Target
5-hydroxytryptamine receptor 1B
(Rat)
Niigata College of Pharmacy
Curated by
PDSP K
i
Database
Ligand
BDBM25768
(1-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-(pro...)
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Affinity Data
Ki: 3.89E+3nM
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Target
5-hydroxytryptamine receptor 1B
(Rat)
Niigata College of Pharmacy
Curated by
PDSP K
i
Database
Ligand
BDBM25761
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)
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Affinity Data
Ki: 7.08E+3nM
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Target
Beta-2 adrenergic receptor
(Rat)
Niigata College of Pharmacy
Curated by
PDSP K
i
Database
Ligand
BDBM25755
(Acebutolol | Acetobutolol | N-{3-acetyl-4-[2-hydro...)
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Affinity Data
Ki: 7.08E+3nM
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Copy BDB DOI
Target
5-hydroxytryptamine receptor 1B
(Rat)
Niigata College of Pharmacy
Curated by
PDSP K
i
Database
Ligand
BDBM81887
(Butoxamine | CAS_1937-89-9)
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Affinity Data
Ki: >1.00E+4nM
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Copy BDB DOI
Target
5-hydroxytryptamine receptor 1B
(Rat)
Niigata College of Pharmacy
Curated by
PDSP K
i
Database
Ligand
BDBM25752
(Betaxolol | Levobetaxolol | [(2S)-3-{4-[2-(cyclopr...)
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Affinity Data
Ki: >1.00E+4nM
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Copy BDB DOI
Target
Beta-2 adrenergic receptor
(Rat)
Niigata College of Pharmacy
Curated by
PDSP K
i
Database
Ligand
BDBM25749
(CHEMBL6995 | N-{4-[2-hydroxy-3-(propan-2-ylamino)p...)
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Affinity Data
Ki: >1.00E+4nM
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Copy BDB DOI
Target
5-hydroxytryptamine receptor 1B
(Rat)
Niigata College of Pharmacy
Curated by
PDSP K
i
Database
Ligand
BDBM25753
(2-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl...)
Copy SMILES
Copy InChI
Affinity Data
Ki: >1.00E+4nM
More data for this Ligand-Target Pair
Target Info
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PubMed
Copy BDB DOI
Target
5-hydroxytryptamine receptor 1B
(Rat)
Niigata College of Pharmacy
Curated by
PDSP K
i
Database
Ligand
BDBM25762
(CHEMBL471 | N-{4-[1-hydroxy-2-(propan-2-ylamino)et...)
Copy SMILES
Copy InChI
Affinity Data
Ki: >1.00E+4nM
More data for this Ligand-Target Pair
Target Info
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UniProtKB/SwissProt
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Copy BDB DOI
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