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BDBM50019059 (+/-)3-Fluoro-4-(1-hydroxy-2-methylamino-ethyl)-benzene-1,2-diol::3-Fluoro-4-(1-hydroxy-2-methylamino-ethyl)-benzene-1,2-diol::3-Fluoro-4-(1-hydroxy-2-methylamino-ethyl)-benzene-1,2-diol(2-FEPI)::CHEMBL43711

SMILES: CNCC(O)c1ccc(O)c(O)c1F

InChI Key: InChIKey=HGZKLMFEVVYGMO-UHFFFAOYSA-N

Data: 8 KI  5 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 50019059   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50019059
PNG
((+/-)3-Fluoro-4-(1-hydroxy-2-methylamino-ethyl)-be...)
Show SMILES CNCC(O)c1ccc(O)c(O)c1F
Show InChI InChI=1S/C9H12FNO3/c1-11-4-7(13)5-2-3-6(12)9(14)8(5)10/h2-3,7,11-14H,4H2,1H3
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66n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL




J Med Chem 31: 1972-7 (1988)


BindingDB Entry DOI: 10.7270/Q2V69K54
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50019059
PNG
((+/-)3-Fluoro-4-(1-hydroxy-2-methylamino-ethyl)-be...)
Show SMILES CNCC(O)c1ccc(O)c(O)c1F
Show InChI InChI=1S/C9H12FNO3/c1-11-4-7(13)5-2-3-6(12)9(14)8(5)10/h2-3,7,11-14H,4H2,1H3
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66n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL




J Med Chem 36: 3947-55 (1994)


BindingDB Entry DOI: 10.7270/Q2QC044C
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Canis familiaris)
BDBM50019059
PNG
((+/-)3-Fluoro-4-(1-hydroxy-2-methylamino-ethyl)-be...)
Show SMILES CNCC(O)c1ccc(O)c(O)c1F
Show InChI InChI=1S/C9H12FNO3/c1-11-4-7(13)5-2-3-6(12)9(14)8(5)10/h2-3,7,11-14H,4H2,1H3
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260n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding of [3H]-dihydroalprenolol to beta-2 adrenergic receptor of rat cerebral cortical membranes


J Med Chem 43: 1611-9 (2000)


BindingDB Entry DOI: 10.7270/Q25M64ZV
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50019059
PNG
((+/-)3-Fluoro-4-(1-hydroxy-2-methylamino-ethyl)-be...)
Show SMILES CNCC(O)c1ccc(O)c(O)c1F
Show InChI InChI=1S/C9H12FNO3/c1-11-4-7(13)5-2-3-6(12)9(14)8(5)10/h2-3,7,11-14H,4H2,1H3
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1.80E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding of [3H]-dihydroalprenolol to beta-1 adrenergic receptor of rat cerebral cortical membranes


J Med Chem 43: 1611-9 (2000)


BindingDB Entry DOI: 10.7270/Q25M64ZV
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50019059
PNG
((+/-)3-Fluoro-4-(1-hydroxy-2-methylamino-ethyl)-be...)
Show SMILES CNCC(O)c1ccc(O)c(O)c1F
Show InChI InChI=1S/C9H12FNO3/c1-11-4-7(13)5-2-3-6(12)9(14)8(5)10/h2-3,7,11-14H,4H2,1H3
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1.80E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]dihydroalprenolol from adrenergic beta 1 receptor of rat cerebral cortical membranes


J Med Chem 36: 3947-55 (1994)


BindingDB Entry DOI: 10.7270/Q2QC044C
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50019059
PNG
((+/-)3-Fluoro-4-(1-hydroxy-2-methylamino-ethyl)-be...)
Show SMILES CNCC(O)c1ccc(O)c(O)c1F
Show InChI InChI=1S/C9H12FNO3/c1-11-4-7(13)5-2-3-6(12)9(14)8(5)10/h2-3,7,11-14H,4H2,1H3
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1.80E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against beta-1 adrenergic receptor in guinea pig cerebral cortical membranes by displacement of Dihydro-[3H]-alprenolol


J Med Chem 31: 1972-7 (1988)


BindingDB Entry DOI: 10.7270/Q2V69K54
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50019059
PNG
((+/-)3-Fluoro-4-(1-hydroxy-2-methylamino-ethyl)-be...)
Show SMILES CNCC(O)c1ccc(O)c(O)c1F
Show InChI InChI=1S/C9H12FNO3/c1-11-4-7(13)5-2-3-6(12)9(14)8(5)10/h2-3,7,11-14H,4H2,1H3
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1.65E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL




J Med Chem 36: 3947-55 (1994)


BindingDB Entry DOI: 10.7270/Q2QC044C
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50019059
PNG
((+/-)3-Fluoro-4-(1-hydroxy-2-methylamino-ethyl)-be...)
Show SMILES CNCC(O)c1ccc(O)c(O)c1F
Show InChI InChI=1S/C9H12FNO3/c1-11-4-7(13)5-2-3-6(12)9(14)8(5)10/h2-3,7,11-14H,4H2,1H3
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1.65E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against alpha-1 adrenergic receptor in guinea pig cerebral cortical membranes by displacement of [3H]- WB-4101


J Med Chem 31: 1972-7 (1988)


BindingDB Entry DOI: 10.7270/Q2V69K54
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50019059
PNG
((+/-)3-Fluoro-4-(1-hydroxy-2-methylamino-ethyl)-be...)
Show SMILES CNCC(O)c1ccc(O)c(O)c1F
Show InChI InChI=1S/C9H12FNO3/c1-11-4-7(13)5-2-3-6(12)9(14)8(5)10/h2-3,7,11-14H,4H2,1H3
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n/an/an/an/a 40n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL




J Med Chem 36: 3947-55 (1994)


BindingDB Entry DOI: 10.7270/Q2QC044C
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50019059
PNG
((+/-)3-Fluoro-4-(1-hydroxy-2-methylamino-ethyl)-be...)
Show SMILES CNCC(O)c1ccc(O)c(O)c1F
Show InChI InChI=1S/C9H12FNO3/c1-11-4-7(13)5-2-3-6(12)9(14)8(5)10/h2-3,7,11-14H,4H2,1H3
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n/an/an/an/a 40n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL




J Med Chem 31: 1972-7 (1988)


BindingDB Entry DOI: 10.7270/Q2V69K54
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50019059
PNG
((+/-)3-Fluoro-4-(1-hydroxy-2-methylamino-ethyl)-be...)
Show SMILES CNCC(O)c1ccc(O)c(O)c1F
Show InChI InChI=1S/C9H12FNO3/c1-11-4-7(13)5-2-3-6(12)9(14)8(5)10/h2-3,7,11-14H,4H2,1H3
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n/an/an/an/a 40n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL




J Med Chem 31: 1972-7 (1988)


BindingDB Entry DOI: 10.7270/Q2V69K54
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50019059
PNG
((+/-)3-Fluoro-4-(1-hydroxy-2-methylamino-ethyl)-be...)
Show SMILES CNCC(O)c1ccc(O)c(O)c1F
Show InChI InChI=1S/C9H12FNO3/c1-11-4-7(13)5-2-3-6(12)9(14)8(5)10/h2-3,7,11-14H,4H2,1H3
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n/an/an/an/a>5.00E+3n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL




J Med Chem 31: 1972-7 (1988)


BindingDB Entry DOI: 10.7270/Q2V69K54
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50019059
PNG
((+/-)3-Fluoro-4-(1-hydroxy-2-methylamino-ethyl)-be...)
Show SMILES CNCC(O)c1ccc(O)c(O)c1F
Show InChI InChI=1S/C9H12FNO3/c1-11-4-7(13)5-2-3-6(12)9(14)8(5)10/h2-3,7,11-14H,4H2,1H3
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n/an/an/an/a 3.30E+3n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL




J Med Chem 31: 1972-7 (1988)


BindingDB Entry DOI: 10.7270/Q2V69K54
More data for this
Ligand-Target Pair