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Compile Data Set for Download or QSAR

Found 12 hits of kd for UniProtKB: P15823   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Alpha-1B adrenergic receptor


(Rattus norvegicus (rat))
BDBM50392637
PNG
(CHEMBL215421)
Show SMILES COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 |r|
Show InChI InChI=1S/C19H23NO5/c1-21-17-8-5-9-18(22-2)19(17)23-11-10-20-12-14-13-24-15-6-3-4-7-16(15)25-14/h3-9,14,20H,10-13H2,1-2H3/t14-/m0/s1
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n/an/an/a 0.676n/an/an/an/an/a



Universit£ di Milano

Curated by ChEMBL


Assay Description
Antagonist activity at alpha1B adrenoceptor in Sprague-Dawley rat spleen assessed as inhibition of phenylephrine-induced contractions after 30 mins


Eur J Med Chem 58: 184-91 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.049
BindingDB Entry DOI: 10.7270/Q2WQ04W7
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Rattus norvegicus (rat))
BDBM50392639
PNG
(CHEMBL2153551)
Show SMILES COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(O)c2O1 |r|
Show InChI InChI=1S/C19H23NO6/c1-22-15-6-4-7-16(23-2)19(15)24-10-9-20-11-13-12-25-17-8-3-5-14(21)18(17)26-13/h3-8,13,20-21H,9-12H2,1-2H3/t13-/m0/s1
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n/an/an/a 15.8n/an/an/an/an/a



Universit£ di Milano

Curated by ChEMBL


Assay Description
Antagonist activity at alpha1B adrenoceptor in Sprague-Dawley rat spleen assessed as inhibition of phenylephrine-induced contractions after 30 mins


Eur J Med Chem 58: 184-91 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.049
BindingDB Entry DOI: 10.7270/Q2WQ04W7
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Rattus norvegicus (rat))
BDBM50392641
PNG
(CHEMBL2153553)
Show SMILES COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(OC)c2O1 |r|
Show InChI InChI=1S/C20H25NO6/c1-22-15-6-4-7-16(23-2)19(15)25-11-10-21-12-14-13-26-18-9-5-8-17(24-3)20(18)27-14/h4-9,14,21H,10-13H2,1-3H3/t14-/m0/s1
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n/an/an/a 0.263n/an/an/an/an/a



Universit£ di Milano

Curated by ChEMBL


Assay Description
Antagonist activity at alpha1B adrenoceptor in Sprague-Dawley rat spleen assessed as inhibition of phenylephrine-induced contractions after 30 mins


Eur J Med Chem 58: 184-91 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.049
BindingDB Entry DOI: 10.7270/Q2WQ04W7
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Rattus norvegicus (rat))
BDBM50392643
PNG
(CHEMBL2153555)
Show SMILES COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(Cl)c2O1 |r|
Show InChI InChI=1S/C19H22ClNO5/c1-22-15-6-4-7-16(23-2)19(15)24-10-9-21-11-13-12-25-17-8-3-5-14(20)18(17)26-13/h3-8,13,21H,9-12H2,1-2H3/t13-/m0/s1
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n/an/an/a 8.91n/an/an/an/an/a



Universit£ di Milano

Curated by ChEMBL


Assay Description
Antagonist activity at alpha1B adrenoceptor in Sprague-Dawley rat spleen assessed as inhibition of phenylephrine-induced contractions after 30 mins


Eur J Med Chem 58: 184-91 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.049
BindingDB Entry DOI: 10.7270/Q2WQ04W7
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Rattus norvegicus (rat))
BDBM50392645
PNG
(CHEMBL2153557)
Show SMILES COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(F)c2O1 |r|
Show InChI InChI=1S/C19H22FNO5/c1-22-15-6-4-7-16(23-2)19(15)24-10-9-21-11-13-12-25-17-8-3-5-14(20)18(17)26-13/h3-8,13,21H,9-12H2,1-2H3/t13-/m0/s1
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n/an/an/a 2.75n/an/an/an/an/a



Universit£ di Milano

Curated by ChEMBL


Assay Description
Antagonist activity at alpha1B adrenoceptor in Sprague-Dawley rat spleen assessed as inhibition of phenylephrine-induced contractions after 30 mins


Eur J Med Chem 58: 184-91 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.049
BindingDB Entry DOI: 10.7270/Q2WQ04W7
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor/Alpha-1B adrenergic receptor/Alpha-1D adrenergic receptor/Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat)-RA...)
BDBM50497041
PNG
(CHEMBL3248385)
Show SMILES C([C@H]1COc2ccccc2O1)N1CCCCC1 |r|
Show InChI InChI=1S/C14H19NO2/c1-4-8-15(9-5-1)10-12-11-16-13-6-2-3-7-14(13)17-12/h2-3,6-7,12H,1,4-5,8-11H2/t12-/m0/s1
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n/an/an/a 309n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]dihydroazapetine from alpha-adrenoreceptor in rat vas deferens


J Med Chem 20: 880-5 (1977)


Article DOI: 10.1021/jm00217a002
BindingDB Entry DOI: 10.7270/Q251426J
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50227844
PNG
(CHEMBL268768)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)\C=C\c1ccccc1
Show InChI InChI=1S/C23H25N5O3/c1-30-19-14-17-18(15-20(19)31-2)25-23(26-22(17)24)28-12-10-27(11-13-28)21(29)9-8-16-6-4-3-5-7-16/h3-9,14-15H,10-13H2,1-2H3,(H2,24,25,26)/b9-8+
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n/an/an/a 0.412n/an/an/an/an/a



National Institute on Aging/GRC

Curated by ChEMBL


Assay Description
Compound is evaluated for receptor binding affinity using 100 nM concentration on rat cerebral cortical membranes


J Med Chem 32: 96-100 (1989)


BindingDB Entry DOI: 10.7270/Q20G3NCC
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor/Alpha-1B adrenergic receptor/Alpha-1D adrenergic receptor/Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat)-RA...)
BDBM50497037
PNG
(CHEMBL3248387)
Show SMILES C([C@H]1COc2ccccc2O1)N1CCN(C[C@H]2COc3ccccc3O2)CC1 |r|
Show InChI InChI=1S/C22H26N2O4/c1-3-7-21-19(5-1)25-15-17(27-21)13-23-9-11-24(12-10-23)14-18-16-26-20-6-2-4-8-22(20)28-18/h1-8,17-18H,9-16H2/t17-,18-/m0/s1
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n/an/an/a 141n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]dihydroazapetine from alpha-adrenoreceptor in rat vas deferens


J Med Chem 20: 880-5 (1977)


Article DOI: 10.1021/jm00217a002
BindingDB Entry DOI: 10.7270/Q251426J
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor/Alpha-1B adrenergic receptor/Alpha-1D adrenergic receptor/Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat)-RA...)
BDBM50497038
PNG
(CHEMBL3248388)
Show SMILES C([C@@H]1COc2ccccc2O1)N1CCN(C[C@@H]2COc3ccccc3O2)CC1 |r|
Show InChI InChI=1S/C22H26N2O4/c1-3-7-21-19(5-1)25-15-17(27-21)13-23-9-11-24(12-10-23)14-18-16-26-20-6-2-4-8-22(20)28-18/h1-8,17-18H,9-16H2/t17-,18-/m1/s1
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n/an/an/a 562n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]dihydroazapetine from alpha-adrenoreceptor in rat vas deferens


J Med Chem 20: 880-5 (1977)


Article DOI: 10.1021/jm00217a002
BindingDB Entry DOI: 10.7270/Q251426J
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor/Alpha-1B adrenergic receptor/Alpha-1D adrenergic receptor/Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat)-RA...)
BDBM50497039
PNG
(CHEMBL3248383)
Show SMILES CCN(CC)C[C@H]1COc2ccccc2O1 |r|
Show InChI InChI=1S/C13H19NO2/c1-3-14(4-2)9-11-10-15-12-7-5-6-8-13(12)16-11/h5-8,11H,3-4,9-10H2,1-2H3/t11-/m0/s1
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n/an/an/a 617n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]dihydroazapetine from alpha-adrenoreceptor in rat vas deferens


J Med Chem 20: 880-5 (1977)


Article DOI: 10.1021/jm00217a002
BindingDB Entry DOI: 10.7270/Q251426J
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor/Alpha-1B adrenergic receptor/Alpha-1D adrenergic receptor/Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat)-RA...)
BDBM50497040
PNG
(CHEMBL3248386)
Show SMILES C([C@@H]1COc2ccccc2O1)N1CCCCC1 |r|
Show InChI InChI=1S/C14H19NO2/c1-4-8-15(9-5-1)10-12-11-16-13-6-2-3-7-14(13)17-12/h2-3,6-7,12H,1,4-5,8-11H2/t12-/m1/s1
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n/an/an/a 1.02E+3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]dihydroazapetine from alpha-adrenoreceptor in rat vas deferens


J Med Chem 20: 880-5 (1977)


Article DOI: 10.1021/jm00217a002
BindingDB Entry DOI: 10.7270/Q251426J
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Rattus norvegicus (rat))
BDBM50392647
PNG
(CHEMBL2153559)
Show SMILES COc1cccc(OC)c1OCCNC[C@H]1COc2c(OC)cccc2O1 |r|
Show InChI InChI=1S/C20H25NO6/c1-22-15-6-4-7-16(23-2)19(15)25-11-10-21-12-14-13-26-20-17(24-3)8-5-9-18(20)27-14/h4-9,14,21H,10-13H2,1-3H3/t14-/m0/s1
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n/an/an/a 16.6n/an/an/an/an/a



Universit£ di Milano

Curated by ChEMBL


Assay Description
Antagonist activity at alpha1B adrenoceptor in Sprague-Dawley rat spleen assessed as inhibition of phenylephrine-induced contractions after 30 mins


Eur J Med Chem 58: 184-91 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.049
BindingDB Entry DOI: 10.7270/Q2WQ04W7
More data for this
Ligand-Target Pair