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Compile Data Set for Download or QSAR

Found 122 hits with Last Name = 'lapucci' and Initial = 'a'   
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
Compound was evaluated for alpha adrenergic binding affinity towards Alpha-2 adrenergic receptor of rat brain


J Med Chem 35: 1009-18 (1992)


BindingDB Entry DOI: 10.7270/Q2J38T5T
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))
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
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50234790
PNG
((E)-2-chloro-3,4'-dihydroxybiphenyl-4-carbaldehyde...)
Show SMILES Oc1ccc(cc1)-c1ccc(CN=O)c(O)c1Cl
Show InChI InChI=1S/C13H10ClNO3/c14-12-11(8-1-4-10(16)5-2-8)6-3-9(7-15-18)13(12)17/h1-6,16-17H,7H2
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12n/an/an/an/an/an/an/an/a



Universita di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]estradiol from purified full length human ERbeta receptor


J Med Chem 51: 1344-51 (2008)


Article DOI: 10.1021/jm701396g
BindingDB Entry DOI: 10.7270/Q2HQ40SB
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))
BDBM50000502
PNG
(4-Morpholin-2-yl-benzene-1,2-diol | CHEMBL7681)
Show SMILES Oc1ccc(cc1O)C1CNCCO1
Show InChI InChI=1S/C10H13NO3/c12-8-2-1-7(5-9(8)13)10-6-11-3-4-14-10/h1-2,5,10-13H,3-4,6H2
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26n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Compound was evaluated for alpha adrenergic binding affinity towards Alpha-2 adrenergic receptor of rat brain


J Med Chem 35: 1009-18 (1992)


BindingDB Entry DOI: 10.7270/Q2J38T5T
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(BOVINE)
BDBM50000504
PNG
(6-Isopropylamino-5,6,7,8-tetrahydro-naphthalene-1,...)
Show SMILES CC(C)N[C@@H]1CCc2c(O)c(O)ccc2[C@H]1O
Show InChI InChI=1S/C13H19NO3/c1-7(2)14-10-5-3-9-8(12(10)16)4-6-11(15)13(9)17/h4,6-7,10,12,14-17H,3,5H2,1-2H3/t10-,12-/m1/s1
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62n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Compound was evaluated for beta adrenergic binding affinity towards Beta-2 adrenergic receptor of bovine lung


J Med Chem 35: 1009-18 (1992)


BindingDB Entry DOI: 10.7270/Q2J38T5T
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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-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
Compound was evaluated for beta adrenergic binding affinity towards Beta-1 adrenergic receptor of rat brain


J Med Chem 35: 1009-18 (1992)


BindingDB Entry DOI: 10.7270/Q2J38T5T
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))
BDBM50000498
PNG
(2-Amino-1,2,3,4-tetrahydro-naphthalene-1,6,7-triol...)
Show SMILES N[C@@H]1CCc2cc(O)c(O)cc2[C@H]1O
Show InChI InChI=1S/C10H13NO3/c11-7-2-1-5-3-8(12)9(13)4-6(5)10(7)14/h3-4,7,10,12-14H,1-2,11H2/t7-,10-/m1/s1
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90n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-2 adrenergic receptor of rat brain


J Med Chem 35: 1009-18 (1992)


BindingDB Entry DOI: 10.7270/Q2J38T5T
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-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
Compound was evaluated for beta adrenergic binding affinity towards beta-2 receptor of bovine lung


J Med Chem 35: 1009-18 (1992)


BindingDB Entry DOI: 10.7270/Q2J38T5T
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(BOVINE)
BDBM50000503
PNG
(6-Amino-5,6,7,8-tetrahydro-naphthalene-1,2,5-triol...)
Show SMILES N[C@@H]1CCc2c(O)c(O)ccc2[C@H]1O
Show InChI InChI=1S/C10H13NO3/c11-7-3-1-6-5(9(7)13)2-4-8(12)10(6)14/h2,4,7,9,12-14H,1,3,11H2/t7-,9-/m1/s1
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120n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Compound was evaluated for beta adrenergic binding affinity towards beta-2 receptor of bovine lung


J Med Chem 35: 1009-18 (1992)


BindingDB Entry DOI: 10.7270/Q2J38T5T
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
Compound was evaluated for beta adrenergic binding affinity towards Beta-1 adrenergic receptor of rat brain


J Med Chem 35: 1009-18 (1992)


BindingDB Entry DOI: 10.7270/Q2J38T5T
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))
BDBM50000498
PNG
(2-Amino-1,2,3,4-tetrahydro-naphthalene-1,6,7-triol...)
Show SMILES N[C@@H]1CCc2cc(O)c(O)cc2[C@H]1O
Show InChI InChI=1S/C10H13NO3/c11-7-2-1-5-3-8(12)9(13)4-6(5)10(7)14/h3-4,7,10,12-14H,1-2,11H2/t7-,10-/m1/s1
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300n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1 adrenergic receptor of rat brain


J Med Chem 35: 1009-18 (1992)


BindingDB Entry DOI: 10.7270/Q2J38T5T
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50234790
PNG
((E)-2-chloro-3,4'-dihydroxybiphenyl-4-carbaldehyde...)
Show SMILES Oc1ccc(cc1)-c1ccc(CN=O)c(O)c1Cl
Show InChI InChI=1S/C13H10ClNO3/c14-12-11(8-1-4-10(16)5-2-8)6-3-9(7-15-18)13(12)17/h1-6,16-17H,7H2
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310n/an/an/an/an/an/an/an/a



Universita di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]estradiol from purified full length human ERalpha receptor


J Med Chem 51: 1344-51 (2008)


Article DOI: 10.1021/jm701396g
BindingDB Entry DOI: 10.7270/Q2HQ40SB
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-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
Binding affinity towards Alpha-1 adrenergic receptor of rat brain


J Med Chem 35: 1009-18 (1992)


BindingDB Entry DOI: 10.7270/Q2J38T5T
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))
BDBM50000496
PNG
(4-(3-Hydroxy-piperidin-3-yl)-benzene-1,2-diol | CH...)
Show SMILES Oc1ccc(cc1O)C1(O)CCCNC1
Show InChI InChI=1S/C11H15NO3/c13-9-3-2-8(6-10(9)14)11(15)4-1-5-12-7-11/h2-3,6,12-15H,1,4-5,7H2
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500n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Compound was evaluated for alpha adrenergic binding affinity towards Alpha-2 adrenergic receptor of rat brain


J Med Chem 35: 1009-18 (1992)


BindingDB Entry DOI: 10.7270/Q2J38T5T
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50000504
PNG
(6-Isopropylamino-5,6,7,8-tetrahydro-naphthalene-1,...)
Show SMILES CC(C)N[C@@H]1CCc2c(O)c(O)ccc2[C@H]1O
Show InChI InChI=1S/C13H19NO3/c1-7(2)14-10-5-3-9-8(12(10)16)4-6-11(15)13(9)17/h4,6-7,10,12,14-17H,3,5H2,1-2H3/t10-,12-/m1/s1
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760n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Compound was evaluated for beta adrenergic binding affinity towards Beta-1 adrenergic receptor of rat brain


J Med Chem 35: 1009-18 (1992)


BindingDB Entry DOI: 10.7270/Q2J38T5T
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50000501
PNG
(2-Isopropylamino-1,2,3,4-tetrahydro-naphthalene-1,...)
Show SMILES CC(C)NC1CCc2cc(O)c(O)cc2[C@H]1O
Show InChI InChI=1S/C13H19NO3/c1-7(2)14-10-4-3-8-5-11(15)12(16)6-9(8)13(10)17/h5-7,10,13-17H,3-4H2,1-2H3/t10?,13-/m1/s1
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1.20E+3n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1 adrenergic receptor of rat brain


J Med Chem 35: 1009-18 (1992)


BindingDB Entry DOI: 10.7270/Q2J38T5T
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))
BDBM50000501
PNG
(2-Isopropylamino-1,2,3,4-tetrahydro-naphthalene-1,...)
Show SMILES CC(C)NC1CCc2cc(O)c(O)cc2[C@H]1O
Show InChI InChI=1S/C13H19NO3/c1-7(2)14-10-4-3-8-5-11(15)12(16)6-9(8)13(10)17/h5-7,10,13-17H,3-4H2,1-2H3/t10?,13-/m1/s1
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1.57E+3n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Compound was evaluated for alpha adrenergic binding affinity towards Alpha-2 adrenergic receptor of rat brain


J Med Chem 35: 1009-18 (1992)


BindingDB Entry DOI: 10.7270/Q2J38T5T
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
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50000503
PNG
(6-Amino-5,6,7,8-tetrahydro-naphthalene-1,2,5-triol...)
Show SMILES N[C@@H]1CCc2c(O)c(O)ccc2[C@H]1O
Show InChI InChI=1S/C10H13NO3/c11-7-3-1-6-5(9(7)13)2-4-8(12)10(6)14/h2,4,7,9,12-14H,1,3,11H2/t7-,9-/m1/s1
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2.90E+3n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Compound was evaluated for alpha adrenergic binding affinity towards Alpha-2 adrenergic receptor of rat brain


J Med Chem 35: 1009-18 (1992)


BindingDB Entry DOI: 10.7270/Q2J38T5T
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
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50000497
PNG
(4-(3-Hydroxy-1-isopropyl-piperidin-3-yl)-benzene-1...)
Show SMILES CC(C)N1CCCC(O)(C1)c1ccc(O)c(O)c1
Show InChI InChI=1S/C14H21NO3/c1-10(2)15-7-3-6-14(18,9-15)11-4-5-12(16)13(17)8-11/h4-5,8,10,16-18H,3,6-7,9H2,1-2H3
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4.80E+3n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-2 adrenergic receptor of rat brain


J Med Chem 35: 1009-18 (1992)


BindingDB Entry DOI: 10.7270/Q2J38T5T
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
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50000499
PNG
(4-(4-Isopropyl-morpholin-2-yl)-benzene-1,2-diol | ...)
Show SMILES CC(C)N1CCOC(C1)c1ccc(O)c(O)c1
Show InChI InChI=1S/C13H19NO3/c1-9(2)14-5-6-17-13(8-14)10-3-4-11(15)12(16)7-10/h3-4,7,9,13,15-16H,5-6,8H2,1-2H3
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5.10E+3n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Compound was evaluated for alpha adrenergic binding affinity towards Alpha-2 adrenergic receptor of rat brain


J Med Chem 35: 1009-18 (1992)


BindingDB Entry DOI: 10.7270/Q2J38T5T
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))
BDBM50000504
PNG
(6-Isopropylamino-5,6,7,8-tetrahydro-naphthalene-1,...)
Show SMILES CC(C)N[C@@H]1CCc2c(O)c(O)ccc2[C@H]1O
Show InChI InChI=1S/C13H19NO3/c1-7(2)14-10-5-3-9-8(12(10)16)4-6-11(15)13(9)17/h4,6-7,10,12,14-17H,3,5H2,1-2H3/t10-,12-/m1/s1
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5.80E+3n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Binding affinity towards alpha-2 adrenergic receptor of rat brain


J Med Chem 35: 1009-18 (1992)


BindingDB Entry DOI: 10.7270/Q2J38T5T
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
Compound was evaluated for beta adrenergic binding affinity towards beta-2 receptor of bovine lung


J Med Chem 35: 1009-18 (1992)


BindingDB Entry DOI: 10.7270/Q2J38T5T
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
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50000499
PNG
(4-(4-Isopropyl-morpholin-2-yl)-benzene-1,2-diol | ...)
Show SMILES CC(C)N1CCOC(C1)c1ccc(O)c(O)c1
Show InChI InChI=1S/C13H19NO3/c1-9(2)14-5-6-17-13(8-14)10-3-4-11(15)12(16)7-10/h3-4,7,9,13,15-16H,5-6,8H2,1-2H3
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6.70E+3n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1 adrenergic receptor of rat brain


J Med Chem 35: 1009-18 (1992)


BindingDB Entry DOI: 10.7270/Q2J38T5T
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50000502
PNG
(4-Morpholin-2-yl-benzene-1,2-diol | CHEMBL7681)
Show SMILES Oc1ccc(cc1O)C1CNCCO1
Show InChI InChI=1S/C10H13NO3/c12-8-2-1-7(5-9(8)13)10-6-11-3-4-14-10/h1-2,5,10-13H,3-4,6H2
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7.40E+3n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1 adrenergic receptor of rat brain


J Med Chem 35: 1009-18 (1992)


BindingDB Entry DOI: 10.7270/Q2J38T5T
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50000503
PNG
(6-Amino-5,6,7,8-tetrahydro-naphthalene-1,2,5-triol...)
Show SMILES N[C@@H]1CCc2c(O)c(O)ccc2[C@H]1O
Show InChI InChI=1S/C10H13NO3/c11-7-3-1-6-5(9(7)13)2-4-8(12)10(6)14/h2,4,7,9,12-14H,1,3,11H2/t7-,9-/m1/s1
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8.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Compound was evaluated for beta adrenergic binding affinity towards Beta-1 adrenergic receptor of rat brain


J Med Chem 35: 1009-18 (1992)


BindingDB Entry DOI: 10.7270/Q2J38T5T
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(BOVINE)
BDBM50000502
PNG
(4-Morpholin-2-yl-benzene-1,2-diol | CHEMBL7681)
Show SMILES Oc1ccc(cc1O)C1CNCCO1
Show InChI InChI=1S/C10H13NO3/c12-8-2-1-7(5-9(8)13)10-6-11-3-4-14-10/h1-2,5,10-13H,3-4,6H2
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9.20E+3n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Compound was evaluated for beta adrenergic binding affinity towards beta-2 receptor of bovine lung


J Med Chem 35: 1009-18 (1992)


BindingDB Entry DOI: 10.7270/Q2J38T5T
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-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50000496
PNG
(4-(3-Hydroxy-piperidin-3-yl)-benzene-1,2-diol | CH...)
Show SMILES Oc1ccc(cc1O)C1(O)CCCNC1
Show InChI InChI=1S/C11H15NO3/c13-9-3-2-8(6-10(9)14)11(15)4-1-5-12-7-11/h2-3,6,12-15H,1,4-5,7H2
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1.50E+4n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1 adrenergic receptor of rat brain


J Med Chem 35: 1009-18 (1992)


BindingDB Entry DOI: 10.7270/Q2J38T5T
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50000502
PNG
(4-Morpholin-2-yl-benzene-1,2-diol | CHEMBL7681)
Show SMILES Oc1ccc(cc1O)C1CNCCO1
Show InChI InChI=1S/C10H13NO3/c12-8-2-1-7(5-9(8)13)10-6-11-3-4-14-10/h1-2,5,10-13H,3-4,6H2
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1.50E+4n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Compound was evaluated for beta adrenergic binding affinity towards beta-1 receptor of rat brain


J Med Chem 35: 1009-18 (1992)


BindingDB Entry DOI: 10.7270/Q2J38T5T
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-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
Compound was evaluated for alpha adrenergic binding affinity towards Alpha-2 adrenergic receptor of rat brain


J Med Chem 35: 1009-18 (1992)


BindingDB Entry DOI: 10.7270/Q2J38T5T
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
PDB
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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
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
Compound was evaluated for alpha adrenergic binding affinity towards alpha-1 receptor of rat brain


J Med Chem 35: 1009-18 (1992)


BindingDB Entry DOI: 10.7270/Q2J38T5T
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50000497
PNG
(4-(3-Hydroxy-1-isopropyl-piperidin-3-yl)-benzene-1...)
Show SMILES CC(C)N1CCCC(O)(C1)c1ccc(O)c(O)c1
Show InChI InChI=1S/C14H21NO3/c1-10(2)15-7-3-6-14(18,9-15)11-4-5-12(16)13(17)8-11/h4-5,8,10,16-18H,3,6-7,9H2,1-2H3
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3.60E+4n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1 adrenergic receptor of rat brain


J Med Chem 35: 1009-18 (1992)


BindingDB Entry DOI: 10.7270/Q2J38T5T
More data for this
Ligand-Target Pair
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