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PubMed code 2563296

Compile data set for download or QSAR
Found 38 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-2 adrenergic receptor


(GUINEA PIG)
BDBM50017392
PNG
(9a-Methoxy-5,6,7,8,9,9a-hexahydro-4bH-benzo[a]azul...)
Show SMILES COC12CCCCCC1c1ccccc1\C2=N\OCC(O)CNC(C)C
Show InChI InChI=1S/C21H32N2O3/c1-15(2)22-13-16(24)14-26-23-20-18-10-7-6-9-17(18)19-11-5-4-8-12-21(19,20)25-3/h6-7,9-10,15-16,19,22,24H,4-5,8,11-14H2,1-3H3/b23-20-
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n/an/a 35n/an/an/an/an/an/a



Université de Nancy I

Curated by ChEMBL


Assay Description
Beta-2 adrenergic receptor blocking was assessed from 50% inhibition of the isoproterenol submaximal response on isolated Guinea pig trachea(IT)


J Med Chem 32: 315-20 (1989)


Article DOI: 10.1021/jm00122a008
BindingDB Entry DOI: 10.7270/Q2RX9B26
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)
BDBM50017384
PNG
(9a-Methoxy-1,2,3,4,4a,9a-hexahydro-fluoren-9-one O...)
Show SMILES COC12CCCCC1c1ccccc1\C2=N\OCC(O)CNC(C)(C)C
Show InChI InChI=1S/C21H32N2O3/c1-20(2,3)22-13-15(24)14-26-23-19-17-10-6-5-9-16(17)18-11-7-8-12-21(18,19)25-4/h5-6,9-10,15,18,22,24H,7-8,11-14H2,1-4H3/b23-19-
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n/an/a 35n/an/an/an/an/an/a



Université de Nancy I

Curated by ChEMBL


Assay Description
Beta-2 adrenergic receptor blocking was assessed from 50% inhibition of the isoproterenol submaximal response on isolated Guinea pig trachea(IT)


J Med Chem 32: 315-20 (1989)


Article DOI: 10.1021/jm00122a008
BindingDB Entry DOI: 10.7270/Q2RX9B26
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50017383
PNG
(9a-Methoxy-5,6,7,8,9,9a-hexahydro-4bH-benzo[a]azul...)
Show SMILES COC12CCCCCC1c1ccccc1\C2=N\OCC(O)CNC(C)(C)C
Show InChI InChI=1S/C22H34N2O3/c1-21(2,3)23-14-16(25)15-27-24-20-18-11-8-7-10-17(18)19-12-6-5-9-13-22(19,20)26-4/h7-8,10-11,16,19,23,25H,5-6,9,12-15H2,1-4H3/b24-20-
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n/an/a 160n/an/an/an/an/an/a



Université de Nancy I

Curated by ChEMBL


Assay Description
Beta-1 adrenergic receptor blocking was assessed from 50% inhibition of the isoproterenol submaximal response on isolated Guinea pig atria(IA)


J Med Chem 32: 315-20 (1989)


Article DOI: 10.1021/jm00122a008
BindingDB Entry DOI: 10.7270/Q2RX9B26
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)
BDBM50017388
PNG
(9a-Methoxy-1,2,3,4,4a,9a-hexahydro-fluoren-9-one O...)
Show SMILES COC12CCCCC1c1ccccc1\C2=N\OCC(O)CNC(C)C
Show InChI InChI=1S/C20H30N2O3/c1-14(2)21-12-15(23)13-25-22-19-17-9-5-4-8-16(17)18-10-6-7-11-20(18,19)24-3/h4-5,8-9,14-15,18,21,23H,6-7,10-13H2,1-3H3/b22-19-
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n/an/a 300n/an/an/an/an/an/a



Université de Nancy I

Curated by ChEMBL


Assay Description
Beta-2 adrenergic receptor blocking was assessed from 50% inhibition of the isoproterenol submaximal response on isolated Guinea pig trachea(IT)


J Med Chem 32: 315-20 (1989)


Article DOI: 10.1021/jm00122a008
BindingDB Entry DOI: 10.7270/Q2RX9B26
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50017385
PNG
(9a-Hydroxy-5,6,7,8,9,9a-hexahydro-4bH-benzo[a]azul...)
Show SMILES CC(C)(C)NCC(O)CO\N=C1\c2ccccc2C2CCCCCC12O
Show InChI InChI=1S/C21H32N2O3/c1-20(2,3)22-13-15(24)14-26-23-19-17-10-7-6-9-16(17)18-11-5-4-8-12-21(18,19)25/h6-7,9-10,15,18,22,24-25H,4-5,8,11-14H2,1-3H3/b23-19-
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n/an/a 340n/an/an/an/an/an/a



Université de Nancy I

Curated by ChEMBL


Assay Description
Beta-1 adrenergic receptor blocking was assessed from 50% inhibition of the isoproterenol submaximal response on isolated Guinea pig atria(IA)


J Med Chem 32: 315-20 (1989)


Article DOI: 10.1021/jm00122a008
BindingDB Entry DOI: 10.7270/Q2RX9B26
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)
BDBM50017383
PNG
(9a-Methoxy-5,6,7,8,9,9a-hexahydro-4bH-benzo[a]azul...)
Show SMILES COC12CCCCCC1c1ccccc1\C2=N\OCC(O)CNC(C)(C)C
Show InChI InChI=1S/C22H34N2O3/c1-21(2,3)23-14-16(25)15-27-24-20-18-11-8-7-10-17(18)19-12-6-5-9-13-22(19,20)26-4/h7-8,10-11,16,19,23,25H,5-6,9,12-15H2,1-4H3/b24-20-
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n/an/a 440n/an/an/an/an/an/a



Université de Nancy I

Curated by ChEMBL


Assay Description
Beta-2 adrenergic receptor blocking was assessed from 50% inhibition of the isoproterenol submaximal response on isolated Guinea pig trachea(IT)


J Med Chem 32: 315-20 (1989)


Article DOI: 10.1021/jm00122a008
BindingDB Entry DOI: 10.7270/Q2RX9B26
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)
BDBM50017385
PNG
(9a-Hydroxy-5,6,7,8,9,9a-hexahydro-4bH-benzo[a]azul...)
Show SMILES CC(C)(C)NCC(O)CO\N=C1\c2ccccc2C2CCCCCC12O
Show InChI InChI=1S/C21H32N2O3/c1-20(2,3)22-13-15(24)14-26-23-19-17-10-7-6-9-16(17)18-11-5-4-8-12-21(18,19)25/h6-7,9-10,15,18,22,24-25H,4-5,8,11-14H2,1-3H3/b23-19-
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n/an/a 440n/an/an/an/an/an/a



Université de Nancy I

Curated by ChEMBL


Assay Description
Beta-2 adrenergic receptor blocking was assessed from 50% inhibition of the isoproterenol submaximal response on isolated Guinea pig trachea(IT)


J Med Chem 32: 315-20 (1989)


Article DOI: 10.1021/jm00122a008
BindingDB Entry DOI: 10.7270/Q2RX9B26
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)
BDBM50017396
PNG
(7-Fluoro-9a-methoxy-1,2,3,4,4a,9a-hexahydro-fluore...)
Show SMILES COC12CCCCC1c1ccc(F)cc1\C2=N\OCC(O)CNC(C)(C)C
Show InChI InChI=1S/C21H31FN2O3/c1-20(2,3)23-12-15(25)13-27-24-19-17-11-14(22)8-9-16(17)18-7-5-6-10-21(18,19)26-4/h8-9,11,15,18,23,25H,5-7,10,12-13H2,1-4H3/b24-19-
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n/an/a 450n/an/an/an/an/an/a



Université de Nancy I

Curated by ChEMBL


Assay Description
Beta-2 adrenergic receptor blocking was assessed from 50% inhibition of the isoproterenol submaximal response on isolated Guinea pig trachea(IT)


J Med Chem 32: 315-20 (1989)


Article DOI: 10.1021/jm00122a008
BindingDB Entry DOI: 10.7270/Q2RX9B26
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)
BDBM50017386
PNG
(7-Fluoro-9a-methoxy-1,2,3,4,4a,9a-hexahydro-fluore...)
Show SMILES COC12CCCCC1c1ccc(F)cc1\C2=N\OCC(O)CNC(C)C
Show InChI InChI=1S/C20H29FN2O3/c1-13(2)22-11-15(24)12-26-23-19-17-10-14(21)7-8-16(17)18-6-4-5-9-20(18,19)25-3/h7-8,10,13,15,18,22,24H,4-6,9,11-12H2,1-3H3/b23-19-
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n/an/a 790n/an/an/an/an/an/a



Université de Nancy I

Curated by ChEMBL


Assay Description
Beta-2 adrenergic receptor blocking was assessed from 50% inhibition of the isoproterenol submaximal response on isolated Guinea pig trachea(IT)


J Med Chem 32: 315-20 (1989)


Article DOI: 10.1021/jm00122a008
BindingDB Entry DOI: 10.7270/Q2RX9B26
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50017396
PNG
(7-Fluoro-9a-methoxy-1,2,3,4,4a,9a-hexahydro-fluore...)
Show SMILES COC12CCCCC1c1ccc(F)cc1\C2=N\OCC(O)CNC(C)(C)C
Show InChI InChI=1S/C21H31FN2O3/c1-20(2,3)23-12-15(25)13-27-24-19-17-11-14(22)8-9-16(17)18-7-5-6-10-21(18,19)26-4/h8-9,11,15,18,23,25H,5-7,10,12-13H2,1-4H3/b24-19-
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n/an/a 830n/an/an/an/an/an/a



Université de Nancy I

Curated by ChEMBL


Assay Description
Beta-1 adrenergic receptor blocking was assessed from 50% inhibition of the isoproterenol submaximal response on isolated Guinea pig atria(IA)


J Med Chem 32: 315-20 (1989)


Article DOI: 10.1021/jm00122a008
BindingDB Entry DOI: 10.7270/Q2RX9B26
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50017390
PNG
(9a-(2-Hydroxy-ethoxy)-1,2,3,4,4a,9a-hexahydro-fluo...)
Show SMILES CC(C)(C)NCC(O)CO\N=C1\c2ccccc2C2CCCCC12OCCO
Show InChI InChI=1S/C22H34N2O4/c1-21(2,3)23-14-16(26)15-28-24-20-18-9-5-4-8-17(18)19-10-6-7-11-22(19,20)27-13-12-25/h4-5,8-9,16,19,23,25-26H,6-7,10-15H2,1-3H3/b24-20-
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n/an/a 850n/an/an/an/an/an/a



Université de Nancy I

Curated by ChEMBL


Assay Description
Beta-1 adrenergic receptor blocking was assessed from 50% inhibition of the isoproterenol submaximal response on isolated Guinea pig atria(IA)


J Med Chem 32: 315-20 (1989)


Article DOI: 10.1021/jm00122a008
BindingDB Entry DOI: 10.7270/Q2RX9B26
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50017395
PNG
(9a-Hydroxy-5,6,7,8,9,9a-hexahydro-4bH-benzo[a]azul...)
Show SMILES CC(C)NCC(O)CO\N=C1\c2ccccc2C2CCCCCC12O
Show InChI InChI=1S/C20H30N2O3/c1-14(2)21-12-15(23)13-25-22-19-17-9-6-5-8-16(17)18-10-4-3-7-11-20(18,19)24/h5-6,8-9,14-15,18,21,23-24H,3-4,7,10-13H2,1-2H3/b22-19-
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n/an/a 890n/an/an/an/an/an/a



Université de Nancy I

Curated by ChEMBL


Assay Description
Beta-1 adrenergic receptor blocking was assessed from 50% inhibition of the isoproterenol submaximal response on isolated Guinea pig atria(IA)


J Med Chem 32: 315-20 (1989)


Article DOI: 10.1021/jm00122a008
BindingDB Entry DOI: 10.7270/Q2RX9B26
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50017388
PNG
(9a-Methoxy-1,2,3,4,4a,9a-hexahydro-fluoren-9-one O...)
Show SMILES COC12CCCCC1c1ccccc1\C2=N\OCC(O)CNC(C)C
Show InChI InChI=1S/C20H30N2O3/c1-14(2)21-12-15(23)13-25-22-19-17-9-5-4-8-16(17)18-10-6-7-11-20(18,19)24-3/h4-5,8-9,14-15,18,21,23H,6-7,10-13H2,1-3H3/b22-19-
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n/an/a 1.20E+3n/an/an/an/an/an/a



Université de Nancy I

Curated by ChEMBL


Assay Description
Beta-1 adrenergic receptor blocking was assessed from 50% inhibition of the isoproterenol submaximal response on isolated Guinea pig atria(IA)


J Med Chem 32: 315-20 (1989)


Article DOI: 10.1021/jm00122a008
BindingDB Entry DOI: 10.7270/Q2RX9B26
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50017387
PNG
(9a-Hydroxy-1,2,3,4,4a,9a-hexahydro-fluoren-9-one O...)
Show SMILES CC(C)(C)NCC(O)CO\N=C1\c2ccccc2C2CCCCC12O
Show InChI InChI=1S/C20H30N2O3/c1-19(2,3)21-12-14(23)13-25-22-18-16-9-5-4-8-15(16)17-10-6-7-11-20(17,18)24/h4-5,8-9,14,17,21,23-24H,6-7,10-13H2,1-3H3/b22-18-
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n/an/a 2.80E+3n/an/an/an/an/an/a



Université de Nancy I

Curated by ChEMBL


Assay Description
Beta-1 adrenergic receptor blocking was assessed from 50% inhibition of the isoproterenol submaximal response on isolated Guinea pig atria(IA)


J Med Chem 32: 315-20 (1989)


Article DOI: 10.1021/jm00122a008
BindingDB Entry DOI: 10.7270/Q2RX9B26
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50017392
PNG
(9a-Methoxy-5,6,7,8,9,9a-hexahydro-4bH-benzo[a]azul...)
Show SMILES COC12CCCCCC1c1ccccc1\C2=N\OCC(O)CNC(C)C
Show InChI InChI=1S/C21H32N2O3/c1-15(2)22-13-16(24)14-26-23-20-18-10-7-6-9-17(18)19-11-5-4-8-12-21(19,20)25-3/h6-7,9-10,15-16,19,22,24H,4-5,8,11-14H2,1-3H3/b23-20-
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n/an/a 3.00E+3n/an/an/an/an/an/a



Université de Nancy I

Curated by ChEMBL


Assay Description
Beta-1 adrenergic receptor blocking was assessed from 50% inhibition of the isoproterenol submaximal response on isolated Guinea pig atria(IA)


J Med Chem 32: 315-20 (1989)


Article DOI: 10.1021/jm00122a008
BindingDB Entry DOI: 10.7270/Q2RX9B26
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)
BDBM50017390
PNG
(9a-(2-Hydroxy-ethoxy)-1,2,3,4,4a,9a-hexahydro-fluo...)
Show SMILES CC(C)(C)NCC(O)CO\N=C1\c2ccccc2C2CCCCC12OCCO
Show InChI InChI=1S/C22H34N2O4/c1-21(2,3)23-14-16(26)15-28-24-20-18-9-5-4-8-17(18)19-10-6-7-11-22(19,20)27-13-12-25/h4-5,8-9,16,19,23,25-26H,6-7,10-15H2,1-3H3/b24-20-
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n/an/a 3.10E+3n/an/an/an/an/an/a



Université de Nancy I

Curated by ChEMBL


Assay Description
Beta-2 adrenergic receptor blocking was assessed from 50% inhibition of the isoproterenol submaximal response on isolated Guinea pig trachea(IT)


J Med Chem 32: 315-20 (1989)


Article DOI: 10.1021/jm00122a008
BindingDB Entry DOI: 10.7270/Q2RX9B26
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)
BDBM50017387
PNG
(9a-Hydroxy-1,2,3,4,4a,9a-hexahydro-fluoren-9-one O...)
Show SMILES CC(C)(C)NCC(O)CO\N=C1\c2ccccc2C2CCCCC12O
Show InChI InChI=1S/C20H30N2O3/c1-19(2,3)21-12-14(23)13-25-22-18-16-9-5-4-8-15(16)17-10-6-7-11-20(17,18)24/h4-5,8-9,14,17,21,23-24H,6-7,10-13H2,1-3H3/b22-18-
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n/an/a 3.10E+3n/an/an/an/an/an/a



Université de Nancy I

Curated by ChEMBL


Assay Description
Beta-2 adrenergic receptor blocking was assessed from 50% inhibition of the isoproterenol submaximal response on isolated Guinea pig trachea(IT)


J Med Chem 32: 315-20 (1989)


Article DOI: 10.1021/jm00122a008
BindingDB Entry DOI: 10.7270/Q2RX9B26
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)
BDBM50017380
PNG
(9a-(2-Hydroxy-ethoxy)-5,6,7,8,9,9a-hexahydro-4bH-b...)
Show SMILES CC(C)(C)NCC(O)CO\N=C1\c2ccccc2C2CCCCCC12OCCO
Show InChI InChI=1S/C23H36N2O4/c1-22(2,3)24-15-17(27)16-29-25-21-19-10-7-6-9-18(19)20-11-5-4-8-12-23(20,21)28-14-13-26/h6-7,9-10,17,20,24,26-27H,4-5,8,11-16H2,1-3H3/b25-21-
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n/an/a 7.90E+3n/an/an/an/an/an/a



Université de Nancy I

Curated by ChEMBL


Assay Description
Beta-2 adrenergic receptor blocking was assessed from 50% inhibition of the isoproterenol submaximal response on isolated Guinea pig trachea(IT)


J Med Chem 32: 315-20 (1989)


Article DOI: 10.1021/jm00122a008
BindingDB Entry DOI: 10.7270/Q2RX9B26
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50017380
PNG
(9a-(2-Hydroxy-ethoxy)-5,6,7,8,9,9a-hexahydro-4bH-b...)
Show SMILES CC(C)(C)NCC(O)CO\N=C1\c2ccccc2C2CCCCCC12OCCO
Show InChI InChI=1S/C23H36N2O4/c1-22(2,3)24-15-17(27)16-29-25-21-19-10-7-6-9-18(19)20-11-5-4-8-12-23(20,21)28-14-13-26/h6-7,9-10,17,20,24,26-27H,4-5,8,11-16H2,1-3H3/b25-21-
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n/an/a>1.00E+4n/an/an/an/an/an/a



Université de Nancy I

Curated by ChEMBL


Assay Description
Beta-1 adrenergic receptor blocking was assessed from 50% inhibition of the isoproterenol submaximal response on isolated Guinea pig atria(IA)


J Med Chem 32: 315-20 (1989)


Article DOI: 10.1021/jm00122a008
BindingDB Entry DOI: 10.7270/Q2RX9B26
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)
BDBM50017379
PNG
(9a-Methoxy-5,6,7,8,9,9a-hexahydro-4bH-benzo[a]azul...)
Show SMILES COc1cc(CCNCC(O)CO\N=C2\c3ccccc3C3CCCCCC23OC)cc(OC)c1
Show InChI InChI=1S/C28H38N2O5/c1-32-22-15-20(16-23(17-22)33-2)12-14-29-18-21(31)19-35-30-27-25-10-7-6-9-24(25)26-11-5-4-8-13-28(26,27)34-3/h6-7,9-10,15-17,21,26,29,31H,4-5,8,11-14,18-19H2,1-3H3/b30-27-
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n/an/a>1.00E+4n/an/an/an/an/an/a



Université de Nancy I

Curated by ChEMBL


Assay Description
Beta-2 adrenergic receptor blocking was assessed from 50% inhibition of the isoproterenol submaximal response on isolated Guinea pig trachea(IT)


J Med Chem 32: 315-20 (1989)


Article DOI: 10.1021/jm00122a008
BindingDB Entry DOI: 10.7270/Q2RX9B26
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)
BDBM50017391
PNG
(9a-(2-Hydroxy-ethoxy)-5,6,7,8,9,9a-hexahydro-4bH-b...)
Show SMILES CC(C)NCC(O)CO\N=C1\c2ccccc2C2CCCCCC12OCCO
Show InChI InChI=1S/C22H34N2O4/c1-16(2)23-14-17(26)15-28-24-21-19-9-6-5-8-18(19)20-10-4-3-7-11-22(20,21)27-13-12-25/h5-6,8-9,16-17,20,23,25-26H,3-4,7,10-15H2,1-2H3/b24-21-
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n/an/a>1.00E+4n/an/an/an/an/an/a



Université de Nancy I

Curated by ChEMBL


Assay Description
Beta-2 adrenergic receptor blocking was assessed from 50% inhibition of the isoproterenol submaximal response on isolated Guinea pig trachea(IT)


J Med Chem 32: 315-20 (1989)


Article DOI: 10.1021/jm00122a008
BindingDB Entry DOI: 10.7270/Q2RX9B26
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50017394
PNG
(9a-Methoxy-1,2,3,4,4a,9a-hexahydro-fluoren-9-one O...)
Show SMILES COc1cc(CCNCC(O)CO\N=C2\c3ccccc3C3CCCCC23OC)cc(OC)c1
Show InChI InChI=1S/C27H36N2O5/c1-31-21-14-19(15-22(16-21)32-2)11-13-28-17-20(30)18-34-29-26-24-9-5-4-8-23(24)25-10-6-7-12-27(25,26)33-3/h4-5,8-9,14-16,20,25,28,30H,6-7,10-13,17-18H2,1-3H3/b29-26-
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n/an/a>1.00E+4n/an/an/an/an/an/a



Université de Nancy I

Curated by ChEMBL


Assay Description
Beta-1 adrenergic receptor blocking was assessed from 50% inhibition of the isoproterenol submaximal response on isolated Guinea pig atria(IA)


J Med Chem 32: 315-20 (1989)


Article DOI: 10.1021/jm00122a008
BindingDB Entry DOI: 10.7270/Q2RX9B26
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50017391
PNG
(9a-(2-Hydroxy-ethoxy)-5,6,7,8,9,9a-hexahydro-4bH-b...)
Show SMILES CC(C)NCC(O)CO\N=C1\c2ccccc2C2CCCCCC12OCCO
Show InChI InChI=1S/C22H34N2O4/c1-16(2)23-14-17(26)15-28-24-21-19-9-6-5-8-18(19)20-10-4-3-7-11-22(20,21)27-13-12-25/h5-6,8-9,16-17,20,23,25-26H,3-4,7,10-15H2,1-2H3/b24-21-
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n/an/a>1.00E+4n/an/an/an/an/an/a



Université de Nancy I

Curated by ChEMBL


Assay Description
Beta-1 adrenergic receptor blocking was assessed from 50% inhibition of the isoproterenol submaximal response on isolated Guinea pig atria(IA)


J Med Chem 32: 315-20 (1989)


Article DOI: 10.1021/jm00122a008
BindingDB Entry DOI: 10.7270/Q2RX9B26
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)
BDBM50017382
PNG
(13a-Methoxy-5,6,7,8,9,10,11,12,13,13a-decahydro-4b...)
Show SMILES COC12CCCCCCCCCC1c1ccccc1\C2=N\OCC(O)CNC(C)C
Show InChI InChI=1S/C25H40N2O3/c1-19(2)26-17-20(28)18-30-27-24-22-14-11-10-13-21(22)23-15-9-7-5-4-6-8-12-16-25(23,24)29-3/h10-11,13-14,19-20,23,26,28H,4-9,12,15-18H2,1-3H3/b27-24-
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n/an/a>1.00E+4n/an/an/an/an/an/a



Université de Nancy I

Curated by ChEMBL


Assay Description
Beta-2 adrenergic receptor blocking was assessed from 50% inhibition of the isoproterenol submaximal response on isolated Guinea pig trachea(IT)


J Med Chem 32: 315-20 (1989)


Article DOI: 10.1021/jm00122a008
BindingDB Entry DOI: 10.7270/Q2RX9B26
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)
BDBM50017389
PNG
(13a-Methoxy-5,6,7,8,9,10,11,12,13,13a-decahydro-4b...)
Show SMILES COc1cc(CCNCC(O)CO\N=C2\c3ccccc3C3CCCCCCCCCC23OC)cc(OC)c1
Show InChI InChI=1S/C32H46N2O5/c1-36-26-19-24(20-27(21-26)37-2)16-18-33-22-25(35)23-39-34-31-29-14-11-10-13-28(29)30-15-9-7-5-4-6-8-12-17-32(30,31)38-3/h10-11,13-14,19-21,25,30,33,35H,4-9,12,15-18,22-23H2,1-3H3/b34-31-
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n/an/a>1.00E+4n/an/an/an/an/an/a



Université de Nancy I

Curated by ChEMBL


Assay Description
Beta-2 adrenergic receptor blocking was assessed from 50% inhibition of the isoproterenol submaximal response on isolated Guinea pig trachea(IT)


J Med Chem 32: 315-20 (1989)


Article DOI: 10.1021/jm00122a008
BindingDB Entry DOI: 10.7270/Q2RX9B26
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)
BDBM50017381
PNG
(7-Fluoro-9a-methoxy-1,2,3,4,4a,9a-hexahydro-fluore...)
Show SMILES COc1cc(CCNCC(O)CO\N=C2\c3cc(F)ccc3C3CCCCC23OC)cc(OC)c1
Show InChI InChI=1S/C27H35FN2O5/c1-32-21-12-18(13-22(15-21)33-2)9-11-29-16-20(31)17-35-30-26-24-14-19(28)7-8-23(24)25-6-4-5-10-27(25,26)34-3/h7-8,12-15,20,25,29,31H,4-6,9-11,16-17H2,1-3H3/b30-26-
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n/an/a>1.00E+4n/an/an/an/an/an/a



Université de Nancy I

Curated by ChEMBL


Assay Description
Beta-2 adrenergic receptor blocking was assessed from 50% inhibition of the isoproterenol submaximal response on isolated Guinea pig trachea(IT)


J Med Chem 32: 315-20 (1989)


Article DOI: 10.1021/jm00122a008
BindingDB Entry DOI: 10.7270/Q2RX9B26
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)
BDBM50017395
PNG
(9a-Hydroxy-5,6,7,8,9,9a-hexahydro-4bH-benzo[a]azul...)
Show SMILES CC(C)NCC(O)CO\N=C1\c2ccccc2C2CCCCCC12O
Show InChI InChI=1S/C20H30N2O3/c1-14(2)21-12-15(23)13-25-22-19-17-9-6-5-8-16(17)18-10-4-3-7-11-20(18,19)24/h5-6,8-9,14-15,18,21,23-24H,3-4,7,10-13H2,1-2H3/b22-19-
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n/an/a>1.00E+4n/an/an/an/an/an/a



Université de Nancy I

Curated by ChEMBL


Assay Description
Beta-2 adrenergic receptor blocking was assessed from 50% inhibition of the isoproterenol submaximal response on isolated Guinea pig trachea(IT)


J Med Chem 32: 315-20 (1989)


Article DOI: 10.1021/jm00122a008
BindingDB Entry DOI: 10.7270/Q2RX9B26
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50017389
PNG
(13a-Methoxy-5,6,7,8,9,10,11,12,13,13a-decahydro-4b...)
Show SMILES COc1cc(CCNCC(O)CO\N=C2\c3ccccc3C3CCCCCCCCCC23OC)cc(OC)c1
Show InChI InChI=1S/C32H46N2O5/c1-36-26-19-24(20-27(21-26)37-2)16-18-33-22-25(35)23-39-34-31-29-14-11-10-13-28(29)30-15-9-7-5-4-6-8-12-17-32(30,31)38-3/h10-11,13-14,19-21,25,30,33,35H,4-9,12,15-18,22-23H2,1-3H3/b34-31-
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n/an/a>1.00E+4n/an/an/an/an/an/a



Université de Nancy I

Curated by ChEMBL


Assay Description
Beta-1 adrenergic receptor blocking was assessed from 50% inhibition of the isoproterenol submaximal response on isolated Guinea pig atria(IA)


J Med Chem 32: 315-20 (1989)


Article DOI: 10.1021/jm00122a008
BindingDB Entry DOI: 10.7270/Q2RX9B26
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)
BDBM50017394
PNG
(9a-Methoxy-1,2,3,4,4a,9a-hexahydro-fluoren-9-one O...)
Show SMILES COc1cc(CCNCC(O)CO\N=C2\c3ccccc3C3CCCCC23OC)cc(OC)c1
Show InChI InChI=1S/C27H36N2O5/c1-31-21-14-19(15-22(16-21)32-2)11-13-28-17-20(30)18-34-29-26-24-9-5-4-8-23(24)25-10-6-7-12-27(25,26)33-3/h4-5,8-9,14-16,20,25,28,30H,6-7,10-13,17-18H2,1-3H3/b29-26-
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n/an/a>1.00E+4n/an/an/an/an/an/a



Université de Nancy I

Curated by ChEMBL


Assay Description
Beta-2 adrenergic receptor blocking was assessed from 50% inhibition of the isoproterenol submaximal response on isolated Guinea pig trachea(IT)


J Med Chem 32: 315-20 (1989)


Article DOI: 10.1021/jm00122a008
BindingDB Entry DOI: 10.7270/Q2RX9B26
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50017381
PNG
(7-Fluoro-9a-methoxy-1,2,3,4,4a,9a-hexahydro-fluore...)
Show SMILES COc1cc(CCNCC(O)CO\N=C2\c3cc(F)ccc3C3CCCCC23OC)cc(OC)c1
Show InChI InChI=1S/C27H35FN2O5/c1-32-21-12-18(13-22(15-21)33-2)9-11-29-16-20(31)17-35-30-26-24-14-19(28)7-8-23(24)25-6-4-5-10-27(25,26)34-3/h7-8,12-15,20,25,29,31H,4-6,9-11,16-17H2,1-3H3/b30-26-
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n/an/a>1.00E+4n/an/an/an/an/an/a



Université de Nancy I

Curated by ChEMBL


Assay Description
Beta-1 adrenergic receptor blocking was assessed from 50% inhibition of the isoproterenol submaximal response on isolated Guinea pig atria(IA)


J Med Chem 32: 315-20 (1989)


Article DOI: 10.1021/jm00122a008
BindingDB Entry DOI: 10.7270/Q2RX9B26
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50017384
PNG
(9a-Methoxy-1,2,3,4,4a,9a-hexahydro-fluoren-9-one O...)
Show SMILES COC12CCCCC1c1ccccc1\C2=N\OCC(O)CNC(C)(C)C
Show InChI InChI=1S/C21H32N2O3/c1-20(2,3)22-13-15(24)14-26-23-19-17-10-6-5-9-16(17)18-11-7-8-12-21(18,19)25-4/h5-6,9-10,15,18,22,24H,7-8,11-14H2,1-4H3/b23-19-
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n/an/a 1.20E+4n/an/an/an/an/an/a



Université de Nancy I

Curated by ChEMBL


Assay Description
Beta-1 adrenergic receptor blocking was assessed from 50% inhibition of the isoproterenol submaximal response on isolated Guinea pig atria(IA)


J Med Chem 32: 315-20 (1989)


Article DOI: 10.1021/jm00122a008
BindingDB Entry DOI: 10.7270/Q2RX9B26
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50017379
PNG
(9a-Methoxy-5,6,7,8,9,9a-hexahydro-4bH-benzo[a]azul...)
Show SMILES COc1cc(CCNCC(O)CO\N=C2\c3ccccc3C3CCCCCC23OC)cc(OC)c1
Show InChI InChI=1S/C28H38N2O5/c1-32-22-15-20(16-23(17-22)33-2)12-14-29-18-21(31)19-35-30-27-25-10-7-6-9-24(25)26-11-5-4-8-13-28(26,27)34-3/h6-7,9-10,15-17,21,26,29,31H,4-5,8,11-14,18-19H2,1-3H3/b30-27-
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n/an/a 1.30E+4n/an/an/an/an/an/a



Université de Nancy I

Curated by ChEMBL


Assay Description
Beta-1 adrenergic receptor blocking was assessed from 50% inhibition of the isoproterenol submaximal response on isolated Guinea pig atria(IA)


J Med Chem 32: 315-20 (1989)


Article DOI: 10.1021/jm00122a008
BindingDB Entry DOI: 10.7270/Q2RX9B26
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50017386
PNG
(7-Fluoro-9a-methoxy-1,2,3,4,4a,9a-hexahydro-fluore...)
Show SMILES COC12CCCCC1c1ccc(F)cc1\C2=N\OCC(O)CNC(C)C
Show InChI InChI=1S/C20H29FN2O3/c1-13(2)22-11-15(24)12-26-23-19-17-10-14(21)7-8-16(17)18-6-4-5-9-20(18,19)25-3/h7-8,10,13,15,18,22,24H,4-6,9,11-12H2,1-3H3/b23-19-
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n/an/a 1.90E+4n/an/an/an/an/an/a



Université de Nancy I

Curated by ChEMBL


Assay Description
Beta-1 adrenergic receptor blocking was assessed from 50% inhibition of the isoproterenol submaximal response on isolated Guinea pig atria(IA)


J Med Chem 32: 315-20 (1989)


Article DOI: 10.1021/jm00122a008
BindingDB Entry DOI: 10.7270/Q2RX9B26
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)
BDBM50017393
PNG
(9a-Hydroxy-1,2,3,4,4a,9a-hexahydro-fluoren-9-one O...)
Show SMILES CC(C)NCC(O)CO\N=C1\c2ccccc2C2CCCCC12O
Show InChI InChI=1S/C19H28N2O3/c1-13(2)20-11-14(22)12-24-21-18-16-8-4-3-7-15(16)17-9-5-6-10-19(17,18)23/h3-4,7-8,13-14,17,20,22-23H,5-6,9-12H2,1-2H3/b21-18-
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n/an/a>1.00E+5n/an/an/an/an/an/a



Université de Nancy I

Curated by ChEMBL


Assay Description
Beta-2 adrenergic receptor blocking was assessed from 50% inhibition of the isoproterenol submaximal response on isolated Guinea pig trachea(IT)


J Med Chem 32: 315-20 (1989)


Article DOI: 10.1021/jm00122a008
BindingDB Entry DOI: 10.7270/Q2RX9B26
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)
BDBM50017378
PNG
(9a-(2-Hydroxy-ethoxy)-1,2,3,4,4a,9a-hexahydro-fluo...)
Show SMILES CC(C)NCC(O)CO\N=C1\c2ccccc2C2CCCCC12OCCO
Show InChI InChI=1S/C21H32N2O4/c1-15(2)22-13-16(25)14-27-23-20-18-8-4-3-7-17(18)19-9-5-6-10-21(19,20)26-12-11-24/h3-4,7-8,15-16,19,22,24-25H,5-6,9-14H2,1-2H3/b23-20-
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n/an/a>1.00E+5n/an/an/an/an/an/a



Université de Nancy I

Curated by ChEMBL


Assay Description
Beta-2 adrenergic receptor blocking was assessed from 50% inhibition of the isoproterenol submaximal response on isolated Guinea pig trachea(IT)


J Med Chem 32: 315-20 (1989)


Article DOI: 10.1021/jm00122a008
BindingDB Entry DOI: 10.7270/Q2RX9B26
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50017378
PNG
(9a-(2-Hydroxy-ethoxy)-1,2,3,4,4a,9a-hexahydro-fluo...)
Show SMILES CC(C)NCC(O)CO\N=C1\c2ccccc2C2CCCCC12OCCO
Show InChI InChI=1S/C21H32N2O4/c1-15(2)22-13-16(25)14-27-23-20-18-8-4-3-7-17(18)19-9-5-6-10-21(19,20)26-12-11-24/h3-4,7-8,15-16,19,22,24-25H,5-6,9-14H2,1-2H3/b23-20-
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n/an/a>1.00E+5n/an/an/an/an/an/a



Université de Nancy I

Curated by ChEMBL


Assay Description
Beta-1 adrenergic receptor blocking was assessed from 50% inhibition of the isoproterenol submaximal response on isolated Guinea pig atria(IA)


J Med Chem 32: 315-20 (1989)


Article DOI: 10.1021/jm00122a008
BindingDB Entry DOI: 10.7270/Q2RX9B26
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50017382
PNG
(13a-Methoxy-5,6,7,8,9,10,11,12,13,13a-decahydro-4b...)
Show SMILES COC12CCCCCCCCCC1c1ccccc1\C2=N\OCC(O)CNC(C)C
Show InChI InChI=1S/C25H40N2O3/c1-19(2)26-17-20(28)18-30-27-24-22-14-11-10-13-21(22)23-15-9-7-5-4-6-8-12-16-25(23,24)29-3/h10-11,13-14,19-20,23,26,28H,4-9,12,15-18H2,1-3H3/b27-24-
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n/an/a>1.00E+5n/an/an/an/an/an/a



Université de Nancy I

Curated by ChEMBL


Assay Description
Beta-1 adrenergic receptor blocking was assessed from 50% inhibition of the isoproterenol submaximal response on isolated Guinea pig atria(IA)


J Med Chem 32: 315-20 (1989)


Article DOI: 10.1021/jm00122a008
BindingDB Entry DOI: 10.7270/Q2RX9B26
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50017393
PNG
(9a-Hydroxy-1,2,3,4,4a,9a-hexahydro-fluoren-9-one O...)
Show SMILES CC(C)NCC(O)CO\N=C1\c2ccccc2C2CCCCC12O
Show InChI InChI=1S/C19H28N2O3/c1-13(2)20-11-14(22)12-24-21-18-16-8-4-3-7-15(16)17-9-5-6-10-19(17,18)23/h3-4,7-8,13-14,17,20,22-23H,5-6,9-12H2,1-2H3/b21-18-
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n/an/a>1.00E+5n/an/an/an/an/an/a



Université de Nancy I

Curated by ChEMBL


Assay Description
Beta-1 adrenergic receptor blocking was assessed from 50% inhibition of the isoproterenol submaximal response on isolated Guinea pig atria(IA)


J Med Chem 32: 315-20 (1989)


Article DOI: 10.1021/jm00122a008
BindingDB Entry DOI: 10.7270/Q2RX9B26
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Ligand-Target Pair
* indicates data uncertainty>20%