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PubMed code 8230093

Compile data set for download or QSAR
Found 34 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
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor


(RAT-NEONATAL RAT-Rattus norvegicus (rat))		BDBM50029051
PNG
((-)-arterenol | (-)-noradrenaline | (-)-norepineph...)
Show SMILES NC[C@H](O)c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/t8-/m0/s1
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 4.80n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Tested for binding affinity against alpha-2 adrenergic receptor in rat brain using [3H]- rauwolscine as radioligand

J Med Chem 36: 3077-86 (1993)


BindingDB Entry DOI: 10.7270/Q2PG1SB1
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor


(RAT-NEONATAL RAT-Rattus norvegicus (rat))		BDBM50010891
PNG
(1-Aminomethyl-isochroman-5,6-diol | 1-Aminomethyl-...)
Show SMILES NCC1OCCc2c(O)c(O)ccc12
Show InChI InChI=1S/C10H13NO3/c11-5-9-6-1-2-8(12)10(13)7(6)3-4-14-9/h1-2,9,12-13H,3-5,11H2
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 7.40n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Tested for binding affinity against alpha-2 adrenergic receptor in rat brain using [3H]- rauwolscine as radioligand

J Med Chem 36: 3077-86 (1993)


BindingDB Entry DOI: 10.7270/Q2PG1SB1
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Rattus norvegicus (Rat))		BDBM25392
PNG
(4-[1-hydroxy-2-(isopropylamino)ethyl]pyrocatechol;...)
Show SMILES CC(C)NCC(O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3
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 80n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Tested for binding affinity against beta-1 adrenergic receptor in rat brain using [3H]-CGP- 26505 as radioligand

J Med Chem 36: 3077-86 (1993)


BindingDB Entry DOI: 10.7270/Q2PG1SB1
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(BOVINE)		BDBM25392
PNG
(4-[1-hydroxy-2-(isopropylamino)ethyl]pyrocatechol;...)
Show SMILES CC(C)NCC(O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3
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 110n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Tested for binding affinity against beta-2 adrenergic receptor in bovine lung using [3H]DHA as radioligand

J Med Chem 36: 3077-86 (1993)


BindingDB Entry DOI: 10.7270/Q2PG1SB1
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Rattus norvegicus (Rat))		BDBM50029051
PNG
((-)-arterenol | (-)-noradrenaline | (-)-norepineph...)
Show SMILES NC[C@H](O)c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/t8-/m0/s1
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 126n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Tested for binding affinity against beta-1 adrenergic receptor in rat brain using [3H]-CGP- 26505 as radioligand

J Med Chem 36: 3077-86 (1993)


BindingDB Entry DOI: 10.7270/Q2PG1SB1
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50029051
PNG
((-)-arterenol | (-)-noradrenaline | (-)-norepineph...)
Show SMILES NC[C@H](O)c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/t8-/m0/s1
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 450n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Tested for binding affinity against alpha-1 adrenergic receptor in rat brain using [3H]-Prazosin as radioligand

J Med Chem 36: 3077-86 (1993)


BindingDB Entry DOI: 10.7270/Q2PG1SB1
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor


(RAT-NEONATAL RAT-Rattus norvegicus (rat))		BDBM50041914
PNG
(1-Aminomethyl-isochroman-6,7-diol | CHEMBL105383)
Show SMILES NCC1OCCc2cc(O)c(O)cc12
Show InChI InChI=1S/C10H13NO3/c11-5-10-7-4-9(13)8(12)3-6(7)1-2-14-10/h3-4,10,12-13H,1-2,5,11H2
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 1.28E+3n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Tested for binding affinity against alpha-2 adrenergic receptor in rat brain using [3H]- rauwolscine as radioligand

J Med Chem 36: 3077-86 (1993)


BindingDB Entry DOI: 10.7270/Q2PG1SB1
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Rattus norvegicus (Rat))		BDBM50041915
PNG
(1-(Isopropylamino-methyl)-isochroman-6,7-diol | CH...)
Show SMILES CC(C)NCC1OCCc2cc(O)c(O)cc12
Show InChI InChI=1S/C13H19NO3/c1-8(2)14-7-13-10-6-12(16)11(15)5-9(10)3-4-17-13/h5-6,8,13-16H,3-4,7H2,1-2H3
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 1.49E+3n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Tested for binding affinity against beta-1 adrenergic receptor in rat brain using [3H]-CGP- 26505 as radioligand

J Med Chem 36: 3077-86 (1993)


BindingDB Entry DOI: 10.7270/Q2PG1SB1
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor


(RAT-NEONATAL RAT-Rattus norvegicus (rat))		BDBM50041913
PNG
(1-(Isopropylamino-methyl)-isochroman-5,6-diol | CH...)
Show SMILES CC(C)NCC1OCCc2c(O)c(O)ccc12
Show InChI InChI=1S/C13H19NO3/c1-8(2)14-7-12-9-3-4-11(15)13(16)10(9)5-6-17-12/h3-4,8,12,14-16H,5-7H2,1-2H3
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 1.78E+3n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Tested for binding affinity against alpha-2 adrenergic receptor in rat brain using [3H]- rauwolscine as radioligand

J Med Chem 36: 3077-86 (1993)


BindingDB Entry DOI: 10.7270/Q2PG1SB1
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Rattus norvegicus (Rat))		BDBM50041914
PNG
(1-Aminomethyl-isochroman-6,7-diol | CHEMBL105383)
Show SMILES NCC1OCCc2cc(O)c(O)cc12
Show InChI InChI=1S/C10H13NO3/c11-5-10-7-4-9(13)8(12)3-6(7)1-2-14-10/h3-4,10,12-13H,1-2,5,11H2
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 3.45E+3n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Tested for binding affinity against beta-1 adrenergic receptor in rat brain using [3H]-CGP- 26505 as radioligand

J Med Chem 36: 3077-86 (1993)


BindingDB Entry DOI: 10.7270/Q2PG1SB1
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor


(RAT-NEONATAL RAT-Rattus norvegicus (rat))		BDBM50041915
PNG
(1-(Isopropylamino-methyl)-isochroman-6,7-diol | CH...)
Show SMILES CC(C)NCC1OCCc2cc(O)c(O)cc12
Show InChI InChI=1S/C13H19NO3/c1-8(2)14-7-13-10-6-12(16)11(15)5-9(10)3-4-17-13/h5-6,8,13-16H,3-4,7H2,1-2H3
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 4.12E+3n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Tested for binding affinity against alpha-2 adrenergic receptor in rat brain using [3H]- rauwolscine as radioligand

J Med Chem 36: 3077-86 (1993)


BindingDB Entry DOI: 10.7270/Q2PG1SB1
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(BOVINE)		BDBM50041915
PNG
(1-(Isopropylamino-methyl)-isochroman-6,7-diol | CH...)
Show SMILES CC(C)NCC1OCCc2cc(O)c(O)cc12
Show InChI InChI=1S/C13H19NO3/c1-8(2)14-7-13-10-6-12(16)11(15)5-9(10)3-4-17-13/h5-6,8,13-16H,3-4,7H2,1-2H3
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 4.90E+3n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Tested for binding affinity against beta-2 adrenergic receptor in bovine lung using [3H]DHA as radioligand

J Med Chem 36: 3077-86 (1993)


BindingDB Entry DOI: 10.7270/Q2PG1SB1
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(BOVINE)		BDBM50029051
PNG
((-)-arterenol | (-)-noradrenaline | (-)-norepineph...)
Show SMILES NC[C@H](O)c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/t8-/m0/s1
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 6.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Tested for binding affinity against beta-2 adrenergic receptor in bovine lung using [3H]DHA as radioligand

J Med Chem 36: 3077-86 (1993)


BindingDB Entry DOI: 10.7270/Q2PG1SB1
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(BOVINE)		BDBM50041913
PNG
(1-(Isopropylamino-methyl)-isochroman-5,6-diol | CH...)
Show SMILES CC(C)NCC1OCCc2c(O)c(O)ccc12
Show InChI InChI=1S/C13H19NO3/c1-8(2)14-7-12-9-3-4-11(15)13(16)10(9)5-6-17-12/h3-4,8,12,14-16H,5-7H2,1-2H3
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 1.49E+4n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Tested for binding affinity against beta-2 adrenergic receptor in bovine lung using [3H]DHA as radioligand

J Med Chem 36: 3077-86 (1993)


BindingDB Entry DOI: 10.7270/Q2PG1SB1
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor


(RAT-NEONATAL RAT-Rattus norvegicus (rat))		BDBM25392
PNG
(4-[1-hydroxy-2-(isopropylamino)ethyl]pyrocatechol;...)
Show SMILES CC(C)NCC(O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3
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 2.10E+4n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Tested for binding affinity against alpha-2 adrenergic receptor in rat brain using [3H]- rauwolscine as radioligand

J Med Chem 36: 3077-86 (1993)


BindingDB Entry DOI: 10.7270/Q2PG1SB1
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50041913
PNG
(1-(Isopropylamino-methyl)-isochroman-5,6-diol | CH...)
Show SMILES CC(C)NCC1OCCc2c(O)c(O)ccc12
Show InChI InChI=1S/C13H19NO3/c1-8(2)14-7-12-9-3-4-11(15)13(16)10(9)5-6-17-12/h3-4,8,12,14-16H,5-7H2,1-2H3
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 2.15E+4n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Tested for binding affinity against alpha-1 adrenergic receptor in rat brain using [3H]-Prazosin as radioligand

J Med Chem 36: 3077-86 (1993)


BindingDB Entry DOI: 10.7270/Q2PG1SB1
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50041915
PNG
(1-(Isopropylamino-methyl)-isochroman-6,7-diol | CH...)
Show SMILES CC(C)NCC1OCCc2cc(O)c(O)cc12
Show InChI InChI=1S/C13H19NO3/c1-8(2)14-7-13-10-6-12(16)11(15)5-9(10)3-4-17-13/h5-6,8,13-16H,3-4,7H2,1-2H3
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 2.60E+4n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Tested for binding affinity against alpha-1 adrenergic receptor in rat brain using [3H]-Prazosin as radioligand

J Med Chem 36: 3077-86 (1993)


BindingDB Entry DOI: 10.7270/Q2PG1SB1
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(BOVINE)		BDBM50041914
PNG
(1-Aminomethyl-isochroman-6,7-diol | CHEMBL105383)
Show SMILES NCC1OCCc2cc(O)c(O)cc12
Show InChI InChI=1S/C10H13NO3/c11-5-10-7-4-9(13)8(12)3-6(7)1-2-14-10/h3-4,10,12-13H,1-2,5,11H2
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 2.88E+4n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Tested for binding affinity against beta-2 adrenergic receptor in bovine lung using [3H]DHA as radioligand

J Med Chem 36: 3077-86 (1993)


BindingDB Entry DOI: 10.7270/Q2PG1SB1
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Rattus norvegicus (Rat))		BDBM50041913
PNG
(1-(Isopropylamino-methyl)-isochroman-5,6-diol | CH...)
Show SMILES CC(C)NCC1OCCc2c(O)c(O)ccc12
Show InChI InChI=1S/C13H19NO3/c1-8(2)14-7-12-9-3-4-11(15)13(16)10(9)5-6-17-12/h3-4,8,12,14-16H,5-7H2,1-2H3
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 2.88E+4n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Tested for binding affinity against beta-1 adrenergic receptor in rat brain using [3H]-CGP- 26505 as radioligand

J Med Chem 36: 3077-86 (1993)


BindingDB Entry DOI: 10.7270/Q2PG1SB1
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM25392
PNG
(4-[1-hydroxy-2-(isopropylamino)ethyl]pyrocatechol;...)
Show SMILES CC(C)NCC(O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3
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 3.55E+4n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Tested for binding affinity against alpha-1 adrenergic receptor in rat brain using [3H]-Prazosin as radioligand

J Med Chem 36: 3077-86 (1993)


BindingDB Entry DOI: 10.7270/Q2PG1SB1
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Rattus norvegicus (Rat))		BDBM50010891
PNG
(1-Aminomethyl-isochroman-5,6-diol | 1-Aminomethyl-...)
Show SMILES NCC1OCCc2c(O)c(O)ccc12
Show InChI InChI=1S/C10H13NO3/c11-5-9-6-1-2-8(12)10(13)7(6)3-4-14-9/h1-2,9,12-13H,3-5,11H2
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 4.03E+4n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Tested for binding affinity against beta-1 adrenergic receptor in rat brain using [3H]-CGP- 26505 as radioligand

J Med Chem 36: 3077-86 (1993)


BindingDB Entry DOI: 10.7270/Q2PG1SB1
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50010891
PNG
(1-Aminomethyl-isochroman-5,6-diol | 1-Aminomethyl-...)
Show SMILES NCC1OCCc2c(O)c(O)ccc12
Show InChI InChI=1S/C10H13NO3/c11-5-9-6-1-2-8(12)10(13)7(6)3-4-14-9/h1-2,9,12-13H,3-5,11H2
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 4.22E+4n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Tested for binding affinity against alpha-1 adrenergic receptor in rat brain using [3H]-Prazosin as radioligand

J Med Chem 36: 3077-86 (1993)


BindingDB Entry DOI: 10.7270/Q2PG1SB1
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(BOVINE)		BDBM50010891
PNG
(1-Aminomethyl-isochroman-5,6-diol | 1-Aminomethyl-...)
Show SMILES NCC1OCCc2c(O)c(O)ccc12
Show InChI InChI=1S/C10H13NO3/c11-5-9-6-1-2-8(12)10(13)7(6)3-4-14-9/h1-2,9,12-13H,3-5,11H2
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 4.99E+4n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Tested for binding affinity against beta-2 adrenergic receptor in bovine lung using [3H]DHA as radioligand

J Med Chem 36: 3077-86 (1993)


BindingDB Entry DOI: 10.7270/Q2PG1SB1
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50041914
PNG
(1-Aminomethyl-isochroman-6,7-diol | CHEMBL105383)
Show SMILES NCC1OCCc2cc(O)c(O)cc12
Show InChI InChI=1S/C10H13NO3/c11-5-10-7-4-9(13)8(12)3-6(7)1-2-14-10/h3-4,10,12-13H,1-2,5,11H2
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 6.03E+4n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Tested for binding affinity against alpha-1 adrenergic receptor in rat brain using [3H]-Prazosin as radioligand

J Med Chem 36: 3077-86 (1993)


BindingDB Entry DOI: 10.7270/Q2PG1SB1
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)		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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n/an/a 29n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibitory activity against beta-2 adrenergic receptor in guinea pig tracheal strip is determined

J Med Chem 36: 3077-86 (1993)


BindingDB Entry DOI: 10.7270/Q2PG1SB1
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)		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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n/an/a 35n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibitory activity against beta-1 adrenergic receptor in guinea pig atria is determined

J Med Chem 36: 3077-86 (1993)


BindingDB Entry DOI: 10.7270/Q2PG1SB1
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)		BDBM50041915
PNG
(1-(Isopropylamino-methyl)-isochroman-6,7-diol | CH...)
Show SMILES CC(C)NCC1OCCc2cc(O)c(O)cc12
Show InChI InChI=1S/C13H19NO3/c1-8(2)14-7-13-10-6-12(16)11(15)5-9(10)3-4-17-13/h5-6,8,13-16H,3-4,7H2,1-2H3
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n/an/a 5.50E+3n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibitory activity against beta-2 adrenergic receptor in guinea pig tracheal strip is determined

J Med Chem 36: 3077-86 (1993)


BindingDB Entry DOI: 10.7270/Q2PG1SB1
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)		BDBM50041914
PNG
(1-Aminomethyl-isochroman-6,7-diol | CHEMBL105383)
Show SMILES NCC1OCCc2cc(O)c(O)cc12
Show InChI InChI=1S/C10H13NO3/c11-5-10-7-4-9(13)8(12)3-6(7)1-2-14-10/h3-4,10,12-13H,1-2,5,11H2
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n/an/a 6.76E+3n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibitory activity against beta-1 adrenergic receptor in guinea pig atria is determined

J Med Chem 36: 3077-86 (1993)


BindingDB Entry DOI: 10.7270/Q2PG1SB1
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)		BDBM50041914
PNG
(1-Aminomethyl-isochroman-6,7-diol | CHEMBL105383)
Show SMILES NCC1OCCc2cc(O)c(O)cc12
Show InChI InChI=1S/C10H13NO3/c11-5-10-7-4-9(13)8(12)3-6(7)1-2-14-10/h3-4,10,12-13H,1-2,5,11H2
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n/an/a 3.02E+4n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibitory activity against beta-2 adrenergic receptor in guinea pig tracheal strip is determined

J Med Chem 36: 3077-86 (1993)


BindingDB Entry DOI: 10.7270/Q2PG1SB1
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)		BDBM50041915
PNG
(1-(Isopropylamino-methyl)-isochroman-6,7-diol | CH...)
Show SMILES CC(C)NCC1OCCc2cc(O)c(O)cc12
Show InChI InChI=1S/C13H19NO3/c1-8(2)14-7-13-10-6-12(16)11(15)5-9(10)3-4-17-13/h5-6,8,13-16H,3-4,7H2,1-2H3
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n/an/a 3.39E+4n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibitory activity against beta-1 adrenergic receptor in guinea pig atria is determined

J Med Chem 36: 3077-86 (1993)


BindingDB Entry DOI: 10.7270/Q2PG1SB1
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)		BDBM50010891
PNG
(1-Aminomethyl-isochroman-5,6-diol | 1-Aminomethyl-...)
Show SMILES NCC1OCCc2c(O)c(O)ccc12
Show InChI InChI=1S/C10H13NO3/c11-5-9-6-1-2-8(12)10(13)7(6)3-4-14-9/h1-2,9,12-13H,3-5,11H2
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n/an/a 6.61E+4n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibitory activity against beta-1 adrenergic receptor in guinea pig atria is determined

J Med Chem 36: 3077-86 (1993)


BindingDB Entry DOI: 10.7270/Q2PG1SB1
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)		BDBM50041913
PNG
(1-(Isopropylamino-methyl)-isochroman-5,6-diol | CH...)
Show SMILES CC(C)NCC1OCCc2c(O)c(O)ccc12
Show InChI InChI=1S/C13H19NO3/c1-8(2)14-7-12-9-3-4-11(15)13(16)10(9)5-6-17-12/h3-4,8,12,14-16H,5-7H2,1-2H3
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n/an/a<3.16E+5n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibitory activity against beta-1 adrenergic receptor in guinea pig atria is determined

J Med Chem 36: 3077-86 (1993)


BindingDB Entry DOI: 10.7270/Q2PG1SB1
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50041913
PNG
(1-(Isopropylamino-methyl)-isochroman-5,6-diol | CH...)
Show SMILES CC(C)NCC1OCCc2c(O)c(O)ccc12
Show InChI InChI=1S/C13H19NO3/c1-8(2)14-7-12-9-3-4-11(15)13(16)10(9)5-6-17-12/h3-4,8,12,14-16H,5-7H2,1-2H3
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n/an/a<3.16E+5n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
-log IC50 value against alpha-1 receptor in rat vas deferens

J Med Chem 36: 3077-86 (1993)


BindingDB Entry DOI: 10.7270/Q2PG1SB1
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)		BDBM50010891
PNG
(1-Aminomethyl-isochroman-5,6-diol | 1-Aminomethyl-...)
Show SMILES NCC1OCCc2c(O)c(O)ccc12
Show InChI InChI=1S/C10H13NO3/c11-5-9-6-1-2-8(12)10(13)7(6)3-4-14-9/h1-2,9,12-13H,3-5,11H2
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n/an/a<3.16E+5n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibitory activity against beta-2 adrenergic receptor in guinea pig tracheal strip is determined

J Med Chem 36: 3077-86 (1993)


BindingDB Entry DOI: 10.7270/Q2PG1SB1
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%