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Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with all data for entry = 50048752   
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))
BDBM50226801
PNG
(CHEMBL7707)
Show SMILES Oc1ccc2[C@@H](CCCc2c1O)C1=NCCN1 |t:14|
Show InChI InChI=1S/C13H16N2O2/c16-11-5-4-8-9(12(11)17)2-1-3-10(8)13-14-6-7-15-13/h4-5,10,16-17H,1-3,6-7H2,(H,14,15)/t10-/m1/s1
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0.550n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for alpha-2 adrenergic receptor in rat cortex using [3H]rauwolscine.


J Med Chem 30: 1011-7 (1987)


BindingDB Entry DOI: 10.7270/Q2T155VK
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))
BDBM50226802
PNG
(CHEMBL7186)
Show SMILES Oc1ccc2C(CCCc2c1O)C1=NCCN1 |t:14|
Show InChI InChI=1S/C13H16N2O2/c16-11-5-4-8-9(12(11)17)2-1-3-10(8)13-14-6-7-15-13/h4-5,10,16-17H,1-3,6-7H2,(H,14,15)
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6.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for alpha-2 adrenergic receptor in rat cortex using [3H]rauwolscine.


J Med Chem 30: 1011-7 (1987)


BindingDB Entry DOI: 10.7270/Q2T155VK
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))
BDBM50019729
PNG
((S)-5-(4,5-Dihydro-1H-imidazol-2-yl)-5,6,7,8-tetra...)
Show SMILES Oc1ccc2[C@H](CCCc2c1O)C1=NCCN1 |t:14|
Show InChI InChI=1S/C13H16N2O2/c16-11-5-4-8-9(12(11)17)2-1-3-10(8)13-14-6-7-15-13/h4-5,10,16-17H,1-3,6-7H2,(H,14,15)/t10-/m0/s1
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28n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for alpha-2 adrenergic receptor in rat cortex using [3H]rauwolscine.


J Med Chem 30: 1011-7 (1987)


BindingDB Entry DOI: 10.7270/Q2T155VK
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))
BDBM50225285
PNG
(CHEBI:3757 | Catapres | Catapres-Tts-1 | Catapres-...)
Show SMILES Clc1cccc(Cl)c1NC1=NCCN1 |t:10|
Show InChI InChI=1S/C9H9Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-3H,4-5H2,(H2,12,13,14)
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30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for alpha-2 adrenergic receptor in rat cortex using [3H]rauwolscine.


J Med Chem 30: 1011-7 (1987)


BindingDB Entry DOI: 10.7270/Q2T155VK
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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37n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for alpha-2 adrenergic receptor in rat cortex using [3H]rauwolscine.


J Med Chem 30: 1011-7 (1987)


BindingDB Entry DOI: 10.7270/Q2T155VK
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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390n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for alpha-1 adrenergic receptor in rat liver using [3H]prazosin.


J Med Chem 30: 1011-7 (1987)


BindingDB Entry DOI: 10.7270/Q2T155VK
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50226802
PNG
(CHEMBL7186)
Show SMILES Oc1ccc2C(CCCc2c1O)C1=NCCN1 |t:14|
Show InChI InChI=1S/C13H16N2O2/c16-11-5-4-8-9(12(11)17)2-1-3-10(8)13-14-6-7-15-13/h4-5,10,16-17H,1-3,6-7H2,(H,14,15)
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400n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for alpha-1 adrenergic receptor in rat liver using [3H]prazosin.


J Med Chem 30: 1011-7 (1987)


BindingDB Entry DOI: 10.7270/Q2T155VK
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50225285
PNG
(CHEBI:3757 | Catapres | Catapres-Tts-1 | Catapres-...)
Show SMILES Clc1cccc(Cl)c1NC1=NCCN1 |t:10|
Show InChI InChI=1S/C9H9Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-3H,4-5H2,(H2,12,13,14)
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520n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for alpha-1 adrenergic receptor in rat liver using [3H]prazosin.


J Med Chem 30: 1011-7 (1987)


BindingDB Entry DOI: 10.7270/Q2T155VK
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50226801
PNG
(CHEMBL7707)
Show SMILES Oc1ccc2[C@@H](CCCc2c1O)C1=NCCN1 |t:14|
Show InChI InChI=1S/C13H16N2O2/c16-11-5-4-8-9(12(11)17)2-1-3-10(8)13-14-6-7-15-13/h4-5,10,16-17H,1-3,6-7H2,(H,14,15)/t10-/m1/s1
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523n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for alpha-1 adrenergic receptor in rat liver using [3H]prazosin.


J Med Chem 30: 1011-7 (1987)


BindingDB Entry DOI: 10.7270/Q2T155VK
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50019729
PNG
((S)-5-(4,5-Dihydro-1H-imidazol-2-yl)-5,6,7,8-tetra...)
Show SMILES Oc1ccc2[C@H](CCCc2c1O)C1=NCCN1 |t:14|
Show InChI InChI=1S/C13H16N2O2/c16-11-5-4-8-9(12(11)17)2-1-3-10(8)13-14-6-7-15-13/h4-5,10,16-17H,1-3,6-7H2,(H,14,15)/t10-/m0/s1
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817n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for alpha-1 adrenergic receptor in rat liver using [3H]prazosin.


J Med Chem 30: 1011-7 (1987)


BindingDB Entry DOI: 10.7270/Q2T155VK
More data for this
Ligand-Target Pair