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BDBM50225367 BROMOACETYL ALPRENOLOL MENTHANE::Bromoacetyl Alprenolol Menthane

SMILES: CC(C)(NC(=O)CBr)C1CCC(C)(CC1)NCC(O)COc1ccccc1CC=C

InChI Key: InChIKey=UAXZWLFRPNDCMX-UHFFFAOYSA-N

Data: 2 KI  12 Kd

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 14 hits for monomerid = 50225367   
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 beta


(Rattus norvegicus (Rat))
BDBM50225367
PNG
(BROMOACETYL ALPRENOLOL MENTHANE | Bromoacetyl Alpr...)
Show SMILES CC(C)(NC(=O)CBr)C1CCC(C)(CC1)NCC(O)COc1ccccc1CC=C
Show InChI InChI=1S/C24H37BrN2O3/c1-5-8-18-9-6-7-10-21(18)30-17-20(28)16-26-24(4)13-11-19(12-14-24)23(2,3)27-22(29)15-25/h5-7,9-10,19-20,26,28H,1,8,11-17H2,2-4H3,(H,27,29)
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126n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against beta adrenergic receptor from rat lung tissues was determined


J Med Chem 30: 612-5 (1987)


Article DOI: 10.1021/jm00387a005
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50225367
PNG
(BROMOACETYL ALPRENOLOL MENTHANE | Bromoacetyl Alpr...)
Show SMILES CC(C)(NC(=O)CBr)C1CCC(C)(CC1)NCC(O)COc1ccccc1CC=C
Show InChI InChI=1S/C24H37BrN2O3/c1-5-8-18-9-6-7-10-21(18)30-17-20(28)16-26-24(4)13-11-19(12-14-24)23(2,3)27-22(29)15-25/h5-7,9-10,19-20,26,28H,1,8,11-17H2,2-4H3,(H,27,29)
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391n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against beta adrenergic receptor from rat heart tissues was determined


J Med Chem 30: 612-5 (1987)


Article DOI: 10.1021/jm00387a005
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50225367
PNG
(BROMOACETYL ALPRENOLOL MENTHANE | Bromoacetyl Alpr...)
Show SMILES CC(C)(NC(=O)CBr)C1CCC(C)(CC1)NCC(O)COc1ccccc1CC=C
Show InChI InChI=1S/C24H37BrN2O3/c1-5-8-18-9-6-7-10-21(18)30-17-20(28)16-26-24(4)13-11-19(12-14-24)23(2,3)27-22(29)15-25/h5-7,9-10,19-20,26,28H,1,8,11-17H2,2-4H3,(H,27,29)
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n/an/an/a 42n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Equilibrium dissociation constant (KD) against beta adrenergic receptor of rat heart tissue


J Med Chem 28: 1699-703 (1985)


Article DOI: 10.1021/jm00149a028
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50225367
PNG
(BROMOACETYL ALPRENOLOL MENTHANE | Bromoacetyl Alpr...)
Show SMILES CC(C)(NC(=O)CBr)C1CCC(C)(CC1)NCC(O)COc1ccccc1CC=C
Show InChI InChI=1S/C24H37BrN2O3/c1-5-8-18-9-6-7-10-21(18)30-17-20(28)16-26-24(4)13-11-19(12-14-24)23(2,3)27-22(29)15-25/h5-7,9-10,19-20,26,28H,1,8,11-17H2,2-4H3,(H,27,29)
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n/an/an/a 1.5n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Dissociation constant against beta adrenergic receptor using [3H]Dihydroalprenolol in rat heart tissue at 1*10e-7 concentration


J Med Chem 28: 1699-703 (1985)


Article DOI: 10.1021/jm00149a028
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50225367
PNG
(BROMOACETYL ALPRENOLOL MENTHANE | Bromoacetyl Alpr...)
Show SMILES CC(C)(NC(=O)CBr)C1CCC(C)(CC1)NCC(O)COc1ccccc1CC=C
Show InChI InChI=1S/C24H37BrN2O3/c1-5-8-18-9-6-7-10-21(18)30-17-20(28)16-26-24(4)13-11-19(12-14-24)23(2,3)27-22(29)15-25/h5-7,9-10,19-20,26,28H,1,8,11-17H2,2-4H3,(H,27,29)
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n/an/an/a 29n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Equilibrium dissociation constant (KD) against beta adrenergic receptor of rat lung tissue


J Med Chem 28: 1699-703 (1985)


Article DOI: 10.1021/jm00149a028
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50225367
PNG
(BROMOACETYL ALPRENOLOL MENTHANE | Bromoacetyl Alpr...)
Show SMILES CC(C)(NC(=O)CBr)C1CCC(C)(CC1)NCC(O)COc1ccccc1CC=C
Show InChI InChI=1S/C24H37BrN2O3/c1-5-8-18-9-6-7-10-21(18)30-17-20(28)16-26-24(4)13-11-19(12-14-24)23(2,3)27-22(29)15-25/h5-7,9-10,19-20,26,28H,1,8,11-17H2,2-4H3,(H,27,29)
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n/an/an/a 20n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Equilibrium dissociation constant (KD) against beta adrenergic receptor of rat lung tissue


J Med Chem 28: 1699-703 (1985)


Article DOI: 10.1021/jm00149a028
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50225367
PNG
(BROMOACETYL ALPRENOLOL MENTHANE | Bromoacetyl Alpr...)
Show SMILES CC(C)(NC(=O)CBr)C1CCC(C)(CC1)NCC(O)COc1ccccc1CC=C
Show InChI InChI=1S/C24H37BrN2O3/c1-5-8-18-9-6-7-10-21(18)30-17-20(28)16-26-24(4)13-11-19(12-14-24)23(2,3)27-22(29)15-25/h5-7,9-10,19-20,26,28H,1,8,11-17H2,2-4H3,(H,27,29)
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n/an/an/a 1.30n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Dissociation constant against beta adrenergic receptor using [3H]dihydroalprenolol in rat lung tissue at 1*10e-7 concentration


J Med Chem 28: 1699-703 (1985)


Article DOI: 10.1021/jm00149a028
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50225367
PNG
(BROMOACETYL ALPRENOLOL MENTHANE | Bromoacetyl Alpr...)
Show SMILES CC(C)(NC(=O)CBr)C1CCC(C)(CC1)NCC(O)COc1ccccc1CC=C
Show InChI InChI=1S/C24H37BrN2O3/c1-5-8-18-9-6-7-10-21(18)30-17-20(28)16-26-24(4)13-11-19(12-14-24)23(2,3)27-22(29)15-25/h5-7,9-10,19-20,26,28H,1,8,11-17H2,2-4H3,(H,27,29)
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n/an/an/a 2.5n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Dissociation constant against beta adrenergic receptor using [3H]dihydroalprenolol in rat lung tissue at 1*10e-7 concentration


J Med Chem 28: 1699-703 (1985)


Article DOI: 10.1021/jm00149a028
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50225367
PNG
(BROMOACETYL ALPRENOLOL MENTHANE | Bromoacetyl Alpr...)
Show SMILES CC(C)(NC(=O)CBr)C1CCC(C)(CC1)NCC(O)COc1ccccc1CC=C
Show InChI InChI=1S/C24H37BrN2O3/c1-5-8-18-9-6-7-10-21(18)30-17-20(28)16-26-24(4)13-11-19(12-14-24)23(2,3)27-22(29)15-25/h5-7,9-10,19-20,26,28H,1,8,11-17H2,2-4H3,(H,27,29)
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n/an/an/a 1.60n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Dissociation constant against beta adrenergic receptor using [3H]dihydroalprenolol in rat lung tissue at 1*10e-7 concentration


J Med Chem 28: 1699-703 (1985)


Article DOI: 10.1021/jm00149a028
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50225367
PNG
(BROMOACETYL ALPRENOLOL MENTHANE | Bromoacetyl Alpr...)
Show SMILES CC(C)(NC(=O)CBr)C1CCC(C)(CC1)NCC(O)COc1ccccc1CC=C
Show InChI InChI=1S/C24H37BrN2O3/c1-5-8-18-9-6-7-10-21(18)30-17-20(28)16-26-24(4)13-11-19(12-14-24)23(2,3)27-22(29)15-25/h5-7,9-10,19-20,26,28H,1,8,11-17H2,2-4H3,(H,27,29)
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n/an/an/a 280n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Equilibrium dissociation constant (KD) against beta adrenergic receptor of rat heart tissue


J Med Chem 28: 1699-703 (1985)


Article DOI: 10.1021/jm00149a028
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50225367
PNG
(BROMOACETYL ALPRENOLOL MENTHANE | Bromoacetyl Alpr...)
Show SMILES CC(C)(NC(=O)CBr)C1CCC(C)(CC1)NCC(O)COc1ccccc1CC=C
Show InChI InChI=1S/C24H37BrN2O3/c1-5-8-18-9-6-7-10-21(18)30-17-20(28)16-26-24(4)13-11-19(12-14-24)23(2,3)27-22(29)15-25/h5-7,9-10,19-20,26,28H,1,8,11-17H2,2-4H3,(H,27,29)
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n/an/an/a 2.10n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Dissociation constant against beta adrenergic receptor using [3H]Dihydroalprenolol in rat heart tissue at 1*10e-7 concentration


J Med Chem 28: 1699-703 (1985)


Article DOI: 10.1021/jm00149a028
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50225367
PNG
(BROMOACETYL ALPRENOLOL MENTHANE | Bromoacetyl Alpr...)
Show SMILES CC(C)(NC(=O)CBr)C1CCC(C)(CC1)NCC(O)COc1ccccc1CC=C
Show InChI InChI=1S/C24H37BrN2O3/c1-5-8-18-9-6-7-10-21(18)30-17-20(28)16-26-24(4)13-11-19(12-14-24)23(2,3)27-22(29)15-25/h5-7,9-10,19-20,26,28H,1,8,11-17H2,2-4H3,(H,27,29)
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n/an/an/a 31n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Equilibrium dissociation constant (KD) against beta adrenergic receptor of rat heart tissue


J Med Chem 28: 1699-703 (1985)


Article DOI: 10.1021/jm00149a028
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50225367
PNG
(BROMOACETYL ALPRENOLOL MENTHANE | Bromoacetyl Alpr...)
Show SMILES CC(C)(NC(=O)CBr)C1CCC(C)(CC1)NCC(O)COc1ccccc1CC=C
Show InChI InChI=1S/C24H37BrN2O3/c1-5-8-18-9-6-7-10-21(18)30-17-20(28)16-26-24(4)13-11-19(12-14-24)23(2,3)27-22(29)15-25/h5-7,9-10,19-20,26,28H,1,8,11-17H2,2-4H3,(H,27,29)
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n/an/an/a 55n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Equilibrium dissociation constant (KD) against beta adrenergic receptor of rat lung tissue


J Med Chem 28: 1699-703 (1985)


Article DOI: 10.1021/jm00149a028
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50225367
PNG
(BROMOACETYL ALPRENOLOL MENTHANE | Bromoacetyl Alpr...)
Show SMILES CC(C)(NC(=O)CBr)C1CCC(C)(CC1)NCC(O)COc1ccccc1CC=C
Show InChI InChI=1S/C24H37BrN2O3/c1-5-8-18-9-6-7-10-21(18)30-17-20(28)16-26-24(4)13-11-19(12-14-24)23(2,3)27-22(29)15-25/h5-7,9-10,19-20,26,28H,1,8,11-17H2,2-4H3,(H,27,29)
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n/an/an/a 3.20n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Dissociation constant against beta adrenergic receptor using [3H]Dihydroalprenolol in rat heart tissue at 1*10e-7 concentration


J Med Chem 28: 1699-703 (1985)


Article DOI: 10.1021/jm00149a028
More data for this
Ligand-Target Pair