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BDBM50019057 (+/-)4-Fluoro-5-(1-hydroxy-2-methylamino-ethyl)-benzene-1,2-diol::4-Fluoro-5-(1-hydroxy-2-methylamino-ethyl)-benzene-1,2-diol::4-Fluoro-5-(1-hydroxy-2-methylamino-ethyl)-benzene-1,2-diol(6-FEPI)::CHEMBL42359

SMILES: CNCC(O)c1cc(O)c(O)cc1F

InChI Key: InChIKey=DKBXREAGJFVVAP-UHFFFAOYNA-N

Data: 7 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 12 hits for monomerid = 50019057   
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))
BDBM50019057
PNG
((+/-)4-Fluoro-5-(1-hydroxy-2-methylamino-ethyl)-be...)
Show SMILES CNCC(O)c1cc(O)c(O)cc1F
Show InChI InChI=1/C9H12FNO3/c1-11-4-9(14)5-2-7(12)8(13)3-6(5)10/h2-3,9,11-14H,4H2,1H3
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9n/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)


Article DOI: 10.1021/jm00118a019
BindingDB Entry DOI: 10.7270/Q2V69K54
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50019057
PNG
((+/-)4-Fluoro-5-(1-hydroxy-2-methylamino-ethyl)-be...)
Show SMILES CNCC(O)c1cc(O)c(O)cc1F
Show InChI InChI=1/C9H12FNO3/c1-11-4-9(14)5-2-7(12)8(13)3-6(5)10/h2-3,9,11-14H,4H2,1H3
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9n/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]clonidine from adrenergic alpha 2 receptor of rat cerebral cortical membranes


J Med Chem 36: 3947-55 (1994)


Article DOI: 10.1021/jm00076a024
BindingDB Entry DOI: 10.7270/Q2QC044C
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50019057
PNG
((+/-)4-Fluoro-5-(1-hydroxy-2-methylamino-ethyl)-be...)
Show SMILES CNCC(O)c1cc(O)c(O)cc1F
Show InChI InChI=1/C9H12FNO3/c1-11-4-9(14)5-2-7(12)8(13)3-6(5)10/h2-3,9,11-14H,4H2,1H3
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700n/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)


Article DOI: 10.1021/jm00118a019
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))
BDBM50019057
PNG
((+/-)4-Fluoro-5-(1-hydroxy-2-methylamino-ethyl)-be...)
Show SMILES CNCC(O)c1cc(O)c(O)cc1F
Show InChI InChI=1/C9H12FNO3/c1-11-4-9(14)5-2-7(12)8(13)3-6(5)10/h2-3,9,11-14H,4H2,1H3
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700n/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]WB-4101 from adrenergic alpha 1 receptor of rat cerebral cortical membranes


J Med Chem 36: 3947-55 (1994)


Article DOI: 10.1021/jm00076a024
BindingDB Entry DOI: 10.7270/Q2QC044C
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Canis familiaris)
BDBM50019057
PNG
((+/-)4-Fluoro-5-(1-hydroxy-2-methylamino-ethyl)-be...)
Show SMILES CNCC(O)c1cc(O)c(O)cc1F
Show InChI InChI=1/C9H12FNO3/c1-11-4-9(14)5-2-7(12)8(13)3-6(5)10/h2-3,9,11-14H,4H2,1H3
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5.00E+4n/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)


Article DOI: 10.1021/jm990599h
BindingDB Entry DOI: 10.7270/Q25M64ZV
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50019057
PNG
((+/-)4-Fluoro-5-(1-hydroxy-2-methylamino-ethyl)-be...)
Show SMILES CNCC(O)c1cc(O)c(O)cc1F
Show InChI InChI=1/C9H12FNO3/c1-11-4-9(14)5-2-7(12)8(13)3-6(5)10/h2-3,9,11-14H,4H2,1H3
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6.30E+4n/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)


Article DOI: 10.1021/jm00118a019
BindingDB Entry DOI: 10.7270/Q2V69K54
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50019057
PNG
((+/-)4-Fluoro-5-(1-hydroxy-2-methylamino-ethyl)-be...)
Show SMILES CNCC(O)c1cc(O)c(O)cc1F
Show InChI InChI=1/C9H12FNO3/c1-11-4-9(14)5-2-7(12)8(13)3-6(5)10/h2-3,9,11-14H,4H2,1H3
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6.30E+4n/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)


Article DOI: 10.1021/jm00076a024
BindingDB Entry DOI: 10.7270/Q2QC044C
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50019057
PNG
((+/-)4-Fluoro-5-(1-hydroxy-2-methylamino-ethyl)-be...)
Show SMILES CNCC(O)c1cc(O)c(O)cc1F
Show InChI InChI=1/C9H12FNO3/c1-11-4-9(14)5-2-7(12)8(13)3-6(5)10/h2-3,9,11-14H,4H2,1H3
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n/an/an/an/a 100n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Agonistic potency at beta-1 adrenergic receptor for the percent maximal increase in contraction rate of isolated guinea pig atria


J Med Chem 31: 1972-7 (1988)


Article DOI: 10.1021/jm00118a019
BindingDB Entry DOI: 10.7270/Q2V69K54
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50019057
PNG
((+/-)4-Fluoro-5-(1-hydroxy-2-methylamino-ethyl)-be...)
Show SMILES CNCC(O)c1cc(O)c(O)cc1F
Show InChI InChI=1/C9H12FNO3/c1-11-4-9(14)5-2-7(12)8(13)3-6(5)10/h2-3,9,11-14H,4H2,1H3
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n/an/an/an/a>1.50E+3n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Agonistic potency at beta-1 adrenergic receptor for the percent maximal increase in contraction rate of isolated guinea pig atria


J Med Chem 31: 1972-7 (1988)


Article DOI: 10.1021/jm00118a019
BindingDB Entry DOI: 10.7270/Q2V69K54
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50019057
PNG
((+/-)4-Fluoro-5-(1-hydroxy-2-methylamino-ethyl)-be...)
Show SMILES CNCC(O)c1cc(O)c(O)cc1F
Show InChI InChI=1/C9H12FNO3/c1-11-4-9(14)5-2-7(12)8(13)3-6(5)10/h2-3,9,11-14H,4H2,1H3
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n/an/an/an/a>1.50E+3n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Agonistic potency at beta adrenergic receptor for the stimulation of accumulation of cyclic AMP in cultured C6 glioma cells


J Med Chem 31: 1972-7 (1988)


Article DOI: 10.1021/jm00118a019
BindingDB Entry DOI: 10.7270/Q2V69K54
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50019057
PNG
((+/-)4-Fluoro-5-(1-hydroxy-2-methylamino-ethyl)-be...)
Show SMILES CNCC(O)c1cc(O)c(O)cc1F
Show InChI InChI=1/C9H12FNO3/c1-11-4-9(14)5-2-7(12)8(13)3-6(5)10/h2-3,9,11-14H,4H2,1H3
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n/an/an/an/a>1.50E+3n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Stimulation of cyclic AMP accumulation in C6 glioma cells expressing adrenergic beta receptor


J Med Chem 36: 3947-55 (1994)


Article DOI: 10.1021/jm00076a024
BindingDB Entry DOI: 10.7270/Q2QC044C
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50019057
PNG
((+/-)4-Fluoro-5-(1-hydroxy-2-methylamino-ethyl)-be...)
Show SMILES CNCC(O)c1cc(O)c(O)cc1F
Show InChI InChI=1/C9H12FNO3/c1-11-4-9(14)5-2-7(12)8(13)3-6(5)10/h2-3,9,11-14H,4H2,1H3
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n/an/an/an/a 800n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Agonistic potency at alpha-1 adrenergic receptor for the amine-induced increase of phosphatidylinositol breakdown in synaptoneurosomes from guinea pi...


J Med Chem 31: 1972-7 (1988)


Article DOI: 10.1021/jm00118a019
BindingDB Entry DOI: 10.7270/Q2V69K54
More data for this
Ligand-Target Pair