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Compile Data Set for Download or QSAR

Found 7 hits of kd data for polymerid = 11048,3629   
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-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))
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))
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-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))
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))
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
Alpha-1B adrenergic receptor


(Homo sapiens (Human))
BDBM50414756
PNG
(CHEMBL569201)
Show SMILES CCOc1ccccc1N1CCN(CC(O)CN2CCC(C2=O)(c2ccccc2)c2ccccc2)CC1
Show InChI InChI=1S/C31H37N3O3/c1-2-37-29-16-10-9-15-28(29)33-21-19-32(20-22-33)23-27(35)24-34-18-17-31(30(34)36,25-11-5-3-6-12-25)26-13-7-4-8-14-26/h3-16,27,35H,2,17-24H2,1H3
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n/an/an/a 281n/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Antagonist activity at Alpha-1B adrenoceptor in guinea pig spleen assessed as inhibition of noradrenaline-induced contraction after 30 mins


Eur J Med Chem 44: 3994-4003 (2009)


Article DOI: 10.1016/j.ejmech.2009.04.028
BindingDB Entry DOI: 10.7270/Q23X87WF
More data for this
Ligand-Target Pair