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PubMed code 2909730

Compile data set for download or QSAR
Found 10 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))
BDBM50227815
PNG
(Flavodilol)
Show SMILES CCCNCC(O)COc1ccc2c(c1)oc(cc2=O)-c1ccccc1
Show InChI InChI=1S/C21H23NO4/c1-2-10-22-13-16(23)14-25-17-8-9-18-19(24)12-20(26-21(18)11-17)15-6-4-3-5-7-15/h3-9,11-12,16,22-23H,2,10,13-14H2,1H3
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4n/an/an/an/an/an/an/an/a



Pennwalt Corporation

Curated by ChEMBL


Assay Description
Inhibition constant from beta adrenergic receptor binding assay


J Med Chem 32: 183-92 (1989)


BindingDB Entry DOI: 10.7270/Q2474D33
More data for this
Ligand-Target Pair
Beta-1/Beta-2/Beta-3 adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50227820
PNG
(CHEMBL57544)
Show SMILES OC(CNC1CC1)COc1ccc2c(c1)oc(cc2=O)-c1ccccc1
Show InChI InChI=1S/C21H21NO4/c23-16(12-22-15-6-7-15)13-25-17-8-9-18-19(24)11-20(26-21(18)10-17)14-4-2-1-3-5-14/h1-5,8-11,15-16,22-23H,6-7,12-13H2
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1.50E+3n/an/an/an/an/an/an/an/a



Pennwalt Corporation

Curated by ChEMBL


Assay Description
Inhibition constant from beta adrenergic receptor binding assay


J Med Chem 32: 183-92 (1989)


BindingDB Entry DOI: 10.7270/Q2474D33
More data for this
Ligand-Target Pair
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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1.60E+3n/an/an/an/an/an/an/an/a



Pennwalt Corporation

Curated by ChEMBL


Assay Description
Inhibition constant from beta adrenergic receptor binding assay


J Med Chem 32: 183-92 (1989)


BindingDB Entry DOI: 10.7270/Q2474D33
More data for this
Ligand-Target Pair
Beta-1/Beta-2/Beta-3 adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50227814
PNG
(CHEMBL291999)
Show SMILES CC(C)NCC(O)COc1ccc2oc(cc(=O)c2c1)-c1ccccc1
Show InChI InChI=1S/C21H23NO4/c1-14(2)22-12-16(23)13-25-17-8-9-20-18(10-17)19(24)11-21(26-20)15-6-4-3-5-7-15/h3-11,14,16,22-23H,12-13H2,1-2H3
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2.20E+3n/an/an/an/an/an/an/an/a



Pennwalt Corporation

Curated by ChEMBL


Assay Description
Inhibition constant from beta adrenergic receptor binding assay


J Med Chem 32: 183-92 (1989)


BindingDB Entry DOI: 10.7270/Q2474D33
More data for this
Ligand-Target Pair
Beta-1/Beta-2/Beta-3 adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50227817
PNG
(CHEMBL57611)
Show SMILES OC(CNC1CCCCC1)COc1ccc2c(c1)oc(cc2=O)-c1ccccc1
Show InChI InChI=1S/C24H27NO4/c26-19(15-25-18-9-5-2-6-10-18)16-28-20-11-12-21-22(27)14-23(29-24(21)13-20)17-7-3-1-4-8-17/h1,3-4,7-8,11-14,18-19,25-26H,2,5-6,9-10,15-16H2
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5.50E+3n/an/an/an/an/an/an/an/a



Pennwalt Corporation

Curated by ChEMBL


Assay Description
Inhibition constant obtained from beta adrenergic receptor binding assay


J Med Chem 32: 183-92 (1989)


BindingDB Entry DOI: 10.7270/Q2474D33
More data for this
Ligand-Target Pair
Beta-1/Beta-2/Beta-3 adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50227819
PNG
(CHEMBL273690)
Show SMILES CC(C)NCC(O)COc1cccc2c1oc(cc2=O)-c1ccccc1
Show InChI InChI=1S/C21H23NO4/c1-14(2)22-12-16(23)13-25-19-10-6-9-17-18(24)11-20(26-21(17)19)15-7-4-3-5-8-15/h3-11,14,16,22-23H,12-13H2,1-2H3
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7.50E+3n/an/an/an/an/an/an/an/a



Pennwalt Corporation

Curated by ChEMBL


Assay Description
Inhibition constant from beta adrenergic receptor binding assay


J Med Chem 32: 183-92 (1989)


BindingDB Entry DOI: 10.7270/Q2474D33
More data for this
Ligand-Target Pair
Beta-1/Beta-2/Beta-3 adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50227816
PNG
(CHEMBL57659)
Show SMILES CCNCC(O)COc1ccc2c(c1)oc(cc2=O)-c1ccccc1
Show InChI InChI=1S/C20H21NO4/c1-2-21-12-15(22)13-24-16-8-9-17-18(23)11-19(25-20(17)10-16)14-6-4-3-5-7-14/h3-11,15,21-22H,2,12-13H2,1H3
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7.50E+3n/an/an/an/an/an/an/an/a



Pennwalt Corporation

Curated by ChEMBL


Assay Description
Inhibition constant from beta adrenergic receptor binding assay


J Med Chem 32: 183-92 (1989)


BindingDB Entry DOI: 10.7270/Q2474D33
More data for this
Ligand-Target Pair
Beta-1/Beta-2/Beta-3 adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50227818
PNG
(CHEMBL56023)
Show SMILES CC(C)NCC(O)COc1ccc2c(c1)oc(cc2=O)-c1ccccc1
Show InChI InChI=1S/C21H23NO4/c1-14(2)22-12-16(23)13-25-17-8-9-18-19(24)11-20(26-21(18)10-17)15-6-4-3-5-7-15/h3-11,14,16,22-23H,12-13H2,1-2H3
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1.20E+4n/an/an/an/an/an/an/an/a



Pennwalt Corporation

Curated by ChEMBL


Assay Description
Inhibition constant from beta adrenergic receptor binding assay


J Med Chem 32: 183-92 (1989)


BindingDB Entry DOI: 10.7270/Q2474D33
More data for this
Ligand-Target Pair
Beta-1/Beta-2/Beta-3 adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50227813
PNG
(CHEMBL293974)
Show SMILES CC(C)(C)NCC(O)COc1ccc2c(c1)oc(cc2=O)-c1ccccc1
Show InChI InChI=1S/C22H25NO4/c1-22(2,3)23-13-16(24)14-26-17-9-10-18-19(25)12-20(27-21(18)11-17)15-7-5-4-6-8-15/h4-12,16,23-24H,13-14H2,1-3H3
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1.80E+4n/an/an/an/an/an/an/an/a



Pennwalt Corporation

Curated by ChEMBL


Assay Description
Inhibition constant from beta adrenergic receptor binding assay


J Med Chem 32: 183-92 (1989)


BindingDB Entry DOI: 10.7270/Q2474D33
More data for this
Ligand-Target Pair
Beta-1/Beta-2/Beta-3 adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50227821
PNG
(CHEMBL56492)
Show SMILES CC(C)NCC(O)COc1ccc2c(c1)oc(C)cc2=O
Show InChI InChI=1S/C16H21NO4/c1-10(2)17-8-12(18)9-20-13-4-5-14-15(19)6-11(3)21-16(14)7-13/h4-7,10,12,17-18H,8-9H2,1-3H3
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2.30E+4n/an/an/an/an/an/an/an/a



Pennwalt Corporation

Curated by ChEMBL


Assay Description
Inhibition constant from beta adrenergic receptor binding assay


J Med Chem 32: 183-92 (1989)


BindingDB Entry DOI: 10.7270/Q2474D33
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%