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Compile Data Set for Download or QSAR

Found 11 hits of ki data for polymerid = 50002775   
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
Beta-1 adrenergic receptor


(Sus scrofa)
BDBM50442747
PNG
(CHEMBL2443009)
Show SMILES COc1ccccc1N1CCN(Cc2cn(CCCCCCF)nn2)CC1
Show InChI InChI=1S/C20H30FN5O/c1-27-20-9-5-4-8-19(20)25-14-12-24(13-15-25)16-18-17-26(23-22-18)11-7-3-2-6-10-21/h4-5,8-9,17H,2-3,6-7,10-16H2,1H3
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110n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from alpha1-adrenergic receptor in pig cerebral cortex


Bioorg Med Chem Lett 23: 6079-82 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.026
BindingDB Entry DOI: 10.7270/Q2028T08
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Sus scrofa)
BDBM50442752
PNG
(CHEMBL2443004)
Show SMILES COc1ccccc1N1CCN(Cc2cn(nn2)-c2ccc(OCCF)cc2)CC1
Show InChI InChI=1S/C22H26FN5O2/c1-29-22-5-3-2-4-21(22)27-13-11-26(12-14-27)16-18-17-28(25-24-18)19-6-8-20(9-7-19)30-15-10-23/h2-9,17H,10-16H2,1H3
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120n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from alpha1-adrenergic receptor in pig cerebral cortex


Bioorg Med Chem Lett 23: 6079-82 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.026
BindingDB Entry DOI: 10.7270/Q2028T08
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Sus scrofa)
BDBM50442750
PNG
(CHEMBL2443006)
Show SMILES COc1ccccc1N1CCN(Cc2cn(nn2)-c2ccc(OCCOCCOCCF)cc2)CC1
Show InChI InChI=1S/C26H34FN5O4/c1-33-26-5-3-2-4-25(26)31-13-11-30(12-14-31)20-22-21-32(29-28-22)23-6-8-24(9-7-23)36-19-18-35-17-16-34-15-10-27/h2-9,21H,10-20H2,1H3
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120n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from alpha1-adrenergic receptor in pig cerebral cortex


Bioorg Med Chem Lett 23: 6079-82 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.026
BindingDB Entry DOI: 10.7270/Q2028T08
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Sus scrofa)
BDBM50442751
PNG
(CHEMBL2443005)
Show SMILES COc1ccccc1N1CCN(Cc2cn(nn2)-c2ccc(OCCCF)cc2)CC1
Show InChI InChI=1S/C23H28FN5O2/c1-30-23-6-3-2-5-22(23)28-14-12-27(13-15-28)17-19-18-29(26-25-19)20-7-9-21(10-8-20)31-16-4-11-24/h2-3,5-10,18H,4,11-17H2,1H3
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130n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from alpha1-adrenergic receptor in pig cerebral cortex


Bioorg Med Chem Lett 23: 6079-82 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.026
BindingDB Entry DOI: 10.7270/Q2028T08
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Sus scrofa)
BDBM50442746
PNG
(CHEMBL2443010)
Show SMILES COc1ccccc1N1CCN(Cc2cn(CCOCCF)nn2)CC1
Show InChI InChI=1S/C18H26FN5O2/c1-25-18-5-3-2-4-17(18)23-9-7-22(8-10-23)14-16-15-24(21-20-16)11-13-26-12-6-19/h2-5,15H,6-14H2,1H3
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210n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from alpha1-adrenergic receptor in pig cerebral cortex


Bioorg Med Chem Lett 23: 6079-82 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.026
BindingDB Entry DOI: 10.7270/Q2028T08
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Sus scrofa)
BDBM50442748
PNG
(CHEMBL2443008)
Show SMILES COc1ccccc1N1CCN(Cc2cn(nn2)-c2ccc(OCCCOC3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3F)cc2)CC1 |r|
Show InChI InChI=1S/C29H38FN5O7/c1-39-24-6-3-2-5-23(24)34-13-11-33(12-14-34)17-20-18-35(32-31-20)21-7-9-22(10-8-21)40-15-4-16-41-29-26(30)28(38)27(37)25(19-36)42-29/h2-3,5-10,18,25-29,36-38H,4,11-17,19H2,1H3/t25-,26-,27-,28-,29?/m1/s1
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210n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from alpha1-adrenergic receptor in pig cerebral cortex


Bioorg Med Chem Lett 23: 6079-82 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.026
BindingDB Entry DOI: 10.7270/Q2028T08
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Sus scrofa)
BDBM50442749
PNG
(CHEMBL2443007)
Show SMILES COc1ccccc1N1CCN(Cc2cn(nn2)-c2ccc(OCCCOCCF)cc2)CC1
Show InChI InChI=1S/C25H32FN5O3/c1-32-25-6-3-2-5-24(25)30-14-12-29(13-15-30)19-21-20-31(28-27-21)22-7-9-23(10-8-22)34-17-4-16-33-18-11-26/h2-3,5-10,20H,4,11-19H2,1H3
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260n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from alpha1-adrenergic receptor in pig cerebral cortex


Bioorg Med Chem Lett 23: 6079-82 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.026
BindingDB Entry DOI: 10.7270/Q2028T08
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Sus scrofa)
BDBM50442754
PNG
(CHEMBL2443002)
Show SMILES COc1ccccc1N1CCN(Cc2cn(nn2)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2F)CC1 |r|
Show InChI InChI=1S/C20H28FN5O5/c1-30-15-5-3-2-4-14(15)25-8-6-24(7-9-25)10-13-11-26(23-22-13)20-17(21)19(29)18(28)16(12-27)31-20/h2-5,11,16-20,27-29H,6-10,12H2,1H3/t16-,17-,18-,19-,20-/m1/s1
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490n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from alpha1-adrenergic receptor in pig cerebral cortex


Bioorg Med Chem Lett 23: 6079-82 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.026
BindingDB Entry DOI: 10.7270/Q2028T08
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Sus scrofa)
BDBM50442756
PNG
(CHEMBL2443000)
Show SMILES COc1ccccc1N1CCN(Cc2cn(CCOCCOCCF)nn2)CC1
Show InChI InChI=1S/C20H30FN5O3/c1-27-20-5-3-2-4-19(20)25-9-7-24(8-10-25)16-18-17-26(23-22-18)11-13-29-15-14-28-12-6-21/h2-5,17H,6-16H2,1H3
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490n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from alpha1-adrenergic receptor in pig cerebral cortex


Bioorg Med Chem Lett 23: 6079-82 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.026
BindingDB Entry DOI: 10.7270/Q2028T08
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Sus scrofa)
BDBM50442755
PNG
(CHEMBL2443001)
Show SMILES COc1ccccc1N1CCN(Cc2cn(CCOCCOCCOCCF)nn2)CC1
Show InChI InChI=1S/C22H34FN5O4/c1-29-22-5-3-2-4-21(22)27-9-7-26(8-10-27)18-20-19-28(25-24-20)11-13-31-15-17-32-16-14-30-12-6-23/h2-5,19H,6-18H2,1H3
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1.30E+3n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from alpha1-adrenergic receptor in pig cerebral cortex


Bioorg Med Chem Lett 23: 6079-82 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.026
BindingDB Entry DOI: 10.7270/Q2028T08
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Sus scrofa)
BDBM50442753
PNG
(CHEMBL2443003)
Show SMILES COc1ccccc1N1CCN(Cc2cn(nn2)[C@@H]2O[C@H](CF)[C@@H](O)[C@H](O)[C@H]2O)CC1 |r|
Show InChI InChI=1S/C20H28FN5O5/c1-30-15-5-3-2-4-14(15)25-8-6-24(7-9-25)11-13-12-26(23-22-13)20-19(29)18(28)17(27)16(10-21)31-20/h2-5,12,16-20,27-29H,6-11H2,1H3/t16-,17-,18+,19-,20-/m1/s1
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2.50E+3n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from alpha1-adrenergic receptor in pig cerebral cortex


Bioorg Med Chem Lett 23: 6079-82 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.026
BindingDB Entry DOI: 10.7270/Q2028T08
More data for this
Ligand-Target Pair