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PubMed code 1313109

Compile data set for download or QSAR
Found 20 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
ADRB2


(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


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(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


Citation and Details
More data for this
Ligand-Target Pair
ADRB2


(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


Citation and Details
More data for this
Ligand-Target Pair
ADRB2


(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


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50029051
PNG
((-)-arterenol | (-)-noradrenaline | (-)-norepineph...)
Show SMILES NC[C@H](O)c1ccc(O)c(O)c1
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


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(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


Citation and Details
More data for this
Ligand-Target Pair
ADRB2


(BOVINE)
BDBM50029051
PNG
((-)-arterenol | (-)-noradrenaline | (-)-norepineph...)
Show SMILES NC[C@H](O)c1ccc(O)c(O)c1
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


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(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


Citation and Details
More data for this
Ligand-Target Pair
ADRB2


(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


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(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


Citation and Details
More data for this
Ligand-Target Pair
ADRB2


(BOVINE)
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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3.60E+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-2 receptor of bovine lung


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(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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4.80E+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


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(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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6.00E+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 adrenergic receptor of rat brain


Citation and Details
More data for this
Ligand-Target Pair
ADRB2


(BOVINE)
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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7.10E+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-2 adrenergic receptor of bovine lung


Citation and Details
More data for this
Ligand-Target Pair
ADRB2


(BOVINE)
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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9.20E+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-2 adrenergic receptor of bovine lung


Citation and Details
More data for this
Ligand-Target Pair
ADRB2


(BOVINE)
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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>1.00E+5n/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


Citation and Details
More data for this
Ligand-Target Pair
ADRB2


(BOVINE)
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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>1.00E+5n/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


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(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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>1.00E+5n/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


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(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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>1.00E+5n/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


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(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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>1.00E+5n/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


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%