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7 similar compounds to monomer 50404791

Compile data set for download or QSAR
Wt: 353.4
BDBM50404786
Wt: 371.4
BDBM50404788
Wt: 281.3
BDBM50404792
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Wt: 295.3
BDBM50404796
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Wt: 343.4
BDBM50404799
Wt: 323.4
BDBM50404803
Wt: 309.4
BDBM50404811
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 50404786,50404788,50404792,50404796,50404799,50404803,50404811   
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
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50404811
PNG
(CHEMBL279777)
Show SMILES CCOC(=O)CCc1ccc(OCC(O)CNC(C)C)cc1
Show InChI InChI=1S/C17H27NO4/c1-4-21-17(20)10-7-14-5-8-16(9-6-14)22-12-15(19)11-18-13(2)3/h5-6,8-9,13,15,18-19H,4,7,10-12H2,1-3H3
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n/an/an/a 200n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to block Beta-1 adrenergic receptor in guinea pig right atria preparation


J Med Chem 25: 1408-12 (1983)


Article DOI: 10.1021/jm00354a003
BindingDB Entry DOI: 10.7270/Q2S183PB
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)
BDBM50404811
PNG
(CHEMBL279777)
Show SMILES CCOC(=O)CCc1ccc(OCC(O)CNC(C)C)cc1
Show InChI InChI=1S/C17H27NO4/c1-4-21-17(20)10-7-14-5-8-16(9-6-14)22-12-15(19)11-18-13(2)3/h5-6,8-9,13,15,18-19H,4,7,10-12H2,1-3H3
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n/an/an/a 6.31E+3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to block Beta-2 adrenergic receptor in guinea pig trachea preparation


J Med Chem 25: 1408-12 (1983)


Article DOI: 10.1021/jm00354a003
BindingDB Entry DOI: 10.7270/Q2S183PB
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50404796
PNG
(Brevibloc | ESMOLOL)
Show SMILES COC(=O)CCc1ccc(OCC(O)CNC(C)C)cc1
Show InChI InChI=1S/C16H25NO4/c1-12(2)17-10-14(18)11-21-15-7-4-13(5-8-15)6-9-16(19)20-3/h4-5,7-8,12,14,17-18H,6,9-11H2,1-3H3
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n/an/an/a 0.00100n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to block Beta-1 adrenergic receptor in guinea pig right atria preparation at a duration of 3h


J Med Chem 25: 1408-12 (1983)


Article DOI: 10.1021/jm00354a003
BindingDB Entry DOI: 10.7270/Q2S183PB
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50404803
PNG
(CHEMBL31117)
Show SMILES CCCOC(=O)CCc1ccc(OCC(O)CNC(C)C)cc1
Show InChI InChI=1S/C18H29NO4/c1-4-11-22-18(21)10-7-15-5-8-17(9-6-15)23-13-16(20)12-19-14(2)3/h5-6,8-9,14,16,19-20H,4,7,10-13H2,1-3H3
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n/an/an/a 3.98E+3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to block Beta-1 adrenergic receptor in guinea pig right atria preparation


J Med Chem 25: 1408-12 (1983)


Article DOI: 10.1021/jm00354a003
BindingDB Entry DOI: 10.7270/Q2S183PB
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50404788
PNG
(CHEMBL31583)
Show SMILES COC(=O)CCc1ccc(OCC(O)CNCCCc2ccccc2)cc1
Show InChI InChI=1S/C22H29NO4/c1-26-22(25)14-11-19-9-12-21(13-10-19)27-17-20(24)16-23-15-5-8-18-6-3-2-4-7-18/h2-4,6-7,9-10,12-13,20,23-24H,5,8,11,14-17H2,1H3
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n/an/an/a 794n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to block Beta-1 adrenergic receptor in guinea pig right atria preparation


J Med Chem 25: 1408-12 (1983)


Article DOI: 10.1021/jm00354a003
BindingDB Entry DOI: 10.7270/Q2S183PB
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50404792
PNG
(CHEMBL767)
Show SMILES CC(C)NCC(O)COc1ccc(CCC(O)=O)cc1
Show InChI InChI=1S/C15H23NO4/c1-11(2)16-9-13(17)10-20-14-6-3-12(4-7-14)5-8-15(18)19/h3-4,6-7,11,13,16-17H,5,8-10H2,1-2H3,(H,18,19)
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n/an/an/a 2.00E+4n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to block Beta-1 adrenergic receptor in guinea pig right atria preparation


J Med Chem 25: 1408-12 (1983)


Article DOI: 10.1021/jm00354a003
BindingDB Entry DOI: 10.7270/Q2S183PB
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50404786
PNG
(CHEMBL31677)
Show SMILES CCOC(=O)CCNCC(O)COc1ccc(CCC(=O)OC)cc1
Show InChI InChI=1S/C18H27NO6/c1-3-24-18(22)10-11-19-12-15(20)13-25-16-7-4-14(5-8-16)6-9-17(21)23-2/h4-5,7-8,15,19-20H,3,6,9-13H2,1-2H3
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n/an/an/a 1.26E+3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to block Beta-1 adrenergic receptor in guinea pig right atria preparation


J Med Chem 25: 1408-12 (1983)


Article DOI: 10.1021/jm00354a003
BindingDB Entry DOI: 10.7270/Q2S183PB
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50404799
PNG
(CHEMBL31416)
Show SMILES COC(=O)CCc1ccc(OCC(O)CNCc2ccccc2)cc1
Show InChI InChI=1S/C20H25NO4/c1-24-20(23)12-9-16-7-10-19(11-8-16)25-15-18(22)14-21-13-17-5-3-2-4-6-17/h2-8,10-11,18,21-22H,9,12-15H2,1H3
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n/an/an/a 1.26E+3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to block Beta-1 adrenergic receptor in guinea pig right atria preparation


J Med Chem 25: 1408-12 (1983)


Article DOI: 10.1021/jm00354a003
BindingDB Entry DOI: 10.7270/Q2S183PB
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50404796
PNG
(Brevibloc | ESMOLOL)
Show SMILES COC(=O)CCc1ccc(OCC(O)CNC(C)C)cc1
Show InChI InChI=1S/C16H25NO4/c1-12(2)17-10-14(18)11-21-15-7-4-13(5-8-15)6-9-16(19)20-3/h4-5,7-8,12,14,17-18H,6,9-11H2,1-3H3
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n/an/an/a 100n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to block Beta-1 adrenergic receptor in guinea pig right atria preparation


J Med Chem 25: 1408-12 (1983)


Article DOI: 10.1021/jm00354a003
BindingDB Entry DOI: 10.7270/Q2S183PB
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50404796
PNG
(Brevibloc | ESMOLOL)
Show SMILES COC(=O)CCc1ccc(OCC(O)CNC(C)C)cc1
Show InChI InChI=1S/C16H25NO4/c1-12(2)17-10-14(18)11-21-15-7-4-13(5-8-15)6-9-16(19)20-3/h4-5,7-8,12,14,17-18H,6,9-11H2,1-3H3
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n/an/an/a 100n/an/an/an/an/a



University of Melbourne

Curated by ChEMBL


Assay Description
Activity at beta-1 adrenergic receptor


J Med Chem 35: 4676-82 (1993)


Article DOI: 10.1021/jm00103a004
BindingDB Entry DOI: 10.7270/Q2KS6SRG
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)
BDBM50404788
PNG
(CHEMBL31583)
Show SMILES COC(=O)CCc1ccc(OCC(O)CNCCCc2ccccc2)cc1
Show InChI InChI=1S/C22H29NO4/c1-26-22(25)14-11-19-9-12-21(13-10-19)27-17-20(24)16-23-15-5-8-18-6-3-2-4-7-18/h2-4,6-7,9-10,12-13,20,23-24H,5,8,11,14-17H2,1H3
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n/an/an/a 1.58E+4n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to block Beta-2 adrenergic receptor in guinea pig trachea preparation


J Med Chem 25: 1408-12 (1983)


Article DOI: 10.1021/jm00354a003
BindingDB Entry DOI: 10.7270/Q2S183PB
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)
BDBM50404786
PNG
(CHEMBL31677)
Show SMILES CCOC(=O)CCNCC(O)COc1ccc(CCC(=O)OC)cc1
Show InChI InChI=1S/C18H27NO6/c1-3-24-18(22)10-11-19-12-15(20)13-25-16-7-4-14(5-8-16)6-9-17(21)23-2/h4-5,7-8,15,19-20H,3,6,9-13H2,1-2H3
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n/an/an/a>1.00E+4n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to block Beta-2 adrenergic receptor in guinea pig trachea preparation


J Med Chem 25: 1408-12 (1983)


Article DOI: 10.1021/jm00354a003
BindingDB Entry DOI: 10.7270/Q2S183PB
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)
BDBM50404796
PNG
(Brevibloc | ESMOLOL)
Show SMILES COC(=O)CCc1ccc(OCC(O)CNC(C)C)cc1
Show InChI InChI=1S/C16H25NO4/c1-12(2)17-10-14(18)11-21-15-7-4-13(5-8-15)6-9-16(19)20-3/h4-5,7-8,12,14,17-18H,6,9-11H2,1-3H3
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n/an/an/a 6.31E+3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to block Beta-2 adrenergic receptor in guinea pig trachea preparation


J Med Chem 25: 1408-12 (1983)


Article DOI: 10.1021/jm00354a003
BindingDB Entry DOI: 10.7270/Q2S183PB
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)
BDBM50404799
PNG
(CHEMBL31416)
Show SMILES COC(=O)CCc1ccc(OCC(O)CNCc2ccccc2)cc1
Show InChI InChI=1S/C20H25NO4/c1-24-20(23)12-9-16-7-10-19(11-8-16)25-15-18(22)14-21-13-17-5-3-2-4-6-17/h2-8,10-11,18,21-22H,9,12-15H2,1H3
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n/an/an/a 1.26E+4n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to block Beta-2 adrenergic receptor in guinea pig trachea preparation


J Med Chem 25: 1408-12 (1983)


Article DOI: 10.1021/jm00354a003
BindingDB Entry DOI: 10.7270/Q2S183PB
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)
BDBM50404803
PNG
(CHEMBL31117)
Show SMILES CCCOC(=O)CCc1ccc(OCC(O)CNC(C)C)cc1
Show InChI InChI=1S/C18H29NO4/c1-4-11-22-18(21)10-7-15-5-8-17(9-6-15)23-13-16(20)12-19-14(2)3/h5-6,8-9,14,16,19-20H,4,7,10-13H2,1-3H3
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n/an/an/a 6.31E+3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to block Beta-2 adrenergic receptor in guinea pig trachea preparation


J Med Chem 25: 1408-12 (1983)


Article DOI: 10.1021/jm00354a003
BindingDB Entry DOI: 10.7270/Q2S183PB
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50404796
PNG
(Brevibloc | ESMOLOL)
Show SMILES COC(=O)CCc1ccc(OCC(O)CNC(C)C)cc1
Show InChI InChI=1S/C16H25NO4/c1-12(2)17-10-14(18)11-21-15-7-4-13(5-8-15)6-9-16(19)20-3/h4-5,7-8,12,14,17-18H,6,9-11H2,1-3H3
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n/an/an/a 0.00100n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to block Beta-1 adrenergic receptor in guinea pig right atria preparation at a duration of 40 min


J Med Chem 25: 1408-12 (1983)


Article DOI: 10.1021/jm00354a003
BindingDB Entry DOI: 10.7270/Q2S183PB
More data for this
Ligand-Target Pair