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PubMed code 2883317

Compile data set for download or QSAR
Found 6 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Beta-1/Beta-2/Beta-3 adrenergic receptor


(Rattus norvegicus (Rat))
BDBM25761
PNG
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)
Show SMILES CC(C)NCC(O)COc1cccc2ccccc12
Show InChI InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3
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PubMed
6.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for beta-receptor affinity determined in rat brain membrane fraction with [3H]- dihydroalprenolol


J Med Chem 30: 788-92 (1987)


BindingDB Entry DOI: 10.7270/Q2FT8P8T
More data for this
Ligand-Target Pair
Beta-1/Beta-2/Beta-3 adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50226764
PNG
(CHEMBL1203802)
Show SMILES Cl.CC(C)(C)NCC(O)COc1ccc2c(c1)oc(-c1ccccc1)c(-c1ccccc1)c2=O
Show InChI InChI=1S/C28H29NO4.ClH/c1-28(2,3)29-17-21(30)18-32-22-14-15-23-24(16-22)33-27(20-12-8-5-9-13-20)25(26(23)31)19-10-6-4-7-11-19;/h4-16,21,29-30H,17-18H2,1-3H3;1H
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>5.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for beta-receptor affinity, determined in rat brain membrane fraction with [3H]- dihydroalprenolol


J Med Chem 30: 788-92 (1987)


BindingDB Entry DOI: 10.7270/Q2FT8P8T
More data for this
Ligand-Target Pair
Beta-1/Beta-2/Beta-3 adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50226766
PNG
(CHEMBL354278)
Show SMILES CCCCNCC(O)COc1ccc2c(c1)oc(-c1ccccc1)c(-c1ccccc1)c2=O
Show InChI InChI=1S/C28H29NO4/c1-2-3-16-29-18-22(30)19-32-23-14-15-24-25(17-23)33-28(21-12-8-5-9-13-21)26(27(24)31)20-10-6-4-7-11-20/h4-15,17,22,29-30H,2-3,16,18-19H2,1H3
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>5.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for beta-receptor affinity, determined in rat brain membrane fraction with [3H]- dihydroalprenolol


J Med Chem 30: 788-92 (1987)


BindingDB Entry DOI: 10.7270/Q2FT8P8T
More data for this
Ligand-Target Pair
Beta-1/Beta-2/Beta-3 adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50226763
PNG
(CHEMBL1203804)
Show SMILES Cl.CC(C)NCC(O)COc1ccc2c(c1)oc(-c1ccccc1)c(-c1ccccc1)c2=O
Show InChI InChI=1S/C27H27NO4.ClH/c1-18(2)28-16-21(29)17-31-22-13-14-23-24(15-22)32-27(20-11-7-4-8-12-20)25(26(23)30)19-9-5-3-6-10-19;/h3-15,18,21,28-29H,16-17H2,1-2H3;1H
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>5.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for beta-receptor affinity determined in rat brain membrane fraction with [3H]- dihydroalprenolol


J Med Chem 30: 788-92 (1987)


BindingDB Entry DOI: 10.7270/Q2FT8P8T
More data for this
Ligand-Target Pair
Beta-1/Beta-2/Beta-3 adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50226762
PNG
(CHEMBL423629)
Show SMILES OC(CNC1CC1)COc1ccc2c(c1)oc(-c1ccccc1)c(-c1ccccc1)c2=O
Show InChI InChI=1S/C27H25NO4/c29-21(16-28-20-11-12-20)17-31-22-13-14-23-24(15-22)32-27(19-9-5-2-6-10-19)25(26(23)30)18-7-3-1-4-8-18/h1-10,13-15,20-21,28-29H,11-12,16-17H2
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>5.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for beta-receptor affinity, determined in rat brain membrane fraction with [3H]- dihydroalprenolol


J Med Chem 30: 788-92 (1987)


BindingDB Entry DOI: 10.7270/Q2FT8P8T
More data for this
Ligand-Target Pair
Beta-1/Beta-2/Beta-3 adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50226765
PNG
(CHEMBL58430)
Show SMILES CCCNCC(O)COc1ccc2c(c1)oc(-c1ccccc1)c(-c1ccccc1)c2=O
Show InChI InChI=1S/C27H27NO4/c1-2-15-28-17-21(29)18-31-22-13-14-23-24(16-22)32-27(20-11-7-4-8-12-20)25(26(23)30)19-9-5-3-6-10-19/h3-14,16,21,28-29H,2,15,17-18H2,1H3
PDB

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PubMed
>5.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for beta-receptor affinity, determined in rat brain membrane fraction with [3H]- dihydroalprenolol


J Med Chem 30: 788-92 (1987)


BindingDB Entry DOI: 10.7270/Q2FT8P8T
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%