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Compile Data Set for Download or QSAR

Found 96 hits from 25288493   
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-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50103889
PNG
(CHEMBL3343979)
Show SMILES Cc1cccc2c(NCCNc3ccnc4c(C)cccc34)ccnc12
Show InChI InChI=1S/C22H22N4/c1-15-5-3-7-17-19(9-11-25-21(15)17)23-13-14-24-20-10-12-26-22-16(2)6-4-8-18(20)22/h3-12H,13-14H2,1-2H3,(H,23,25)(H,24,26)
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7n/an/an/an/an/an/an/an/a



25288493

Curated by ChEMBL


Assay Description
Binding affinity to human alpha1A adrenergic receptor transfected in COS1 cells assessed as compound required to occupy 50% of receptor


Bioorg Med Chem 22: 5910-6 (2014)


Article DOI: 10.1016/j.bmc.2014.09.017
BindingDB Entry DOI: 10.7270/Q2NS0WP5
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50103889
PNG
(CHEMBL3343979)
Show SMILES Cc1cccc2c(NCCNc3ccnc4c(C)cccc34)ccnc12
Show InChI InChI=1S/C22H22N4/c1-15-5-3-7-17-19(9-11-25-21(15)17)23-13-14-24-20-10-12-26-22-16(2)6-4-8-18(20)22/h3-12H,13-14H2,1-2H3,(H,23,25)(H,24,26)
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7.40n/an/an/an/an/an/an/an/a



25288493

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from human alpha1A adrenergic receptor transfected in COS1 cells


Bioorg Med Chem 22: 5910-6 (2014)


Article DOI: 10.1016/j.bmc.2014.09.017
BindingDB Entry DOI: 10.7270/Q2NS0WP5
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50103897
PNG
(CHEMBL3343976)
Show SMILES Cc1ccc2nccc(NCCNc3ccnc4ccc(C)cc34)c2c1
Show InChI InChI=1S/C22H22N4/c1-15-3-5-19-17(13-15)21(7-9-23-19)25-11-12-26-22-8-10-24-20-6-4-16(2)14-18(20)22/h3-10,13-14H,11-12H2,1-2H3,(H,23,25)(H,24,26)
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19n/an/an/an/an/an/an/an/a



25288493

Curated by ChEMBL


Assay Description
Binding affinity to human alpha1B adrenergic receptor transfected in COS1 cells assessed as compound required to occupy 50% of receptor


Bioorg Med Chem 22: 5910-6 (2014)


Article DOI: 10.1016/j.bmc.2014.09.017
BindingDB Entry DOI: 10.7270/Q2NS0WP5
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50103897
PNG
(CHEMBL3343976)
Show SMILES Cc1ccc2nccc(NCCNc3ccnc4ccc(C)cc34)c2c1
Show InChI InChI=1S/C22H22N4/c1-15-3-5-19-17(13-15)21(7-9-23-19)25-11-12-26-22-8-10-24-20-6-4-16(2)14-18(20)22/h3-10,13-14H,11-12H2,1-2H3,(H,23,25)(H,24,26)
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19n/an/an/an/an/an/an/an/a



25288493

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from human alpha1B adrenergic receptor transfected in COS1 cells


Bioorg Med Chem 22: 5910-6 (2014)


Article DOI: 10.1016/j.bmc.2014.09.017
BindingDB Entry DOI: 10.7270/Q2NS0WP5
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50103896
PNG
(CHEMBL3343975)
Show SMILES C(CNc1ccnc2ccccc12)Nc1ccnc2ccccc12
Show InChI InChI=1S/C20H18N4/c1-3-7-17-15(5-1)19(9-11-21-17)23-13-14-24-20-10-12-22-18-8-4-2-6-16(18)20/h1-12H,13-14H2,(H,21,23)(H,22,24)
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26n/an/an/an/an/an/an/an/a



25288493

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from human alpha1A adrenergic receptor transfected in COS1 cells


Bioorg Med Chem 22: 5910-6 (2014)


Article DOI: 10.1016/j.bmc.2014.09.017
BindingDB Entry DOI: 10.7270/Q2NS0WP5
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50103896
PNG
(CHEMBL3343975)
Show SMILES C(CNc1ccnc2ccccc12)Nc1ccnc2ccccc12
Show InChI InChI=1S/C20H18N4/c1-3-7-17-15(5-1)19(9-11-21-17)23-13-14-24-20-10-12-22-18-8-4-2-6-16(18)20/h1-12H,13-14H2,(H,21,23)(H,22,24)
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26n/an/an/an/an/an/an/an/a



25288493

Curated by ChEMBL


Assay Description
Binding affinity to human alpha1A adrenergic receptor transfected in COS1 cells assessed as compound required to occupy 50% of receptor


Bioorg Med Chem 22: 5910-6 (2014)


Article DOI: 10.1016/j.bmc.2014.09.017
BindingDB Entry DOI: 10.7270/Q2NS0WP5
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50103896
PNG
(CHEMBL3343975)
Show SMILES C(CNc1ccnc2ccccc12)Nc1ccnc2ccccc12
Show InChI InChI=1S/C20H18N4/c1-3-7-17-15(5-1)19(9-11-21-17)23-13-14-24-20-10-12-22-18-8-4-2-6-16(18)20/h1-12H,13-14H2,(H,21,23)(H,22,24)
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28n/an/an/an/an/an/an/an/a



25288493

Curated by ChEMBL


Assay Description
Binding affinity to human alpha1B adrenergic receptor transfected in COS1 cells assessed as compound required to occupy 50% of receptor


Bioorg Med Chem 22: 5910-6 (2014)


Article DOI: 10.1016/j.bmc.2014.09.017
BindingDB Entry DOI: 10.7270/Q2NS0WP5
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50103896
PNG
(CHEMBL3343975)
Show SMILES C(CNc1ccnc2ccccc12)Nc1ccnc2ccccc12
Show InChI InChI=1S/C20H18N4/c1-3-7-17-15(5-1)19(9-11-21-17)23-13-14-24-20-10-12-22-18-8-4-2-6-16(18)20/h1-12H,13-14H2,(H,21,23)(H,22,24)
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28n/an/an/an/an/an/an/an/a



25288493

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from human alpha1B adrenergic receptor transfected in COS1 cells


Bioorg Med Chem 22: 5910-6 (2014)


Article DOI: 10.1016/j.bmc.2014.09.017
BindingDB Entry DOI: 10.7270/Q2NS0WP5
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50103894
PNG
(CHEMBL3343983)
Show SMILES COc1ccc2c(NCCCCCCCNc3ccnc4cc(OC)ccc34)ccnc2c1
Show InChI InChI=1S/C27H32N4O2/c1-32-20-8-10-22-24(12-16-30-26(22)18-20)28-14-6-4-3-5-7-15-29-25-13-17-31-27-19-21(33-2)9-11-23(25)27/h8-13,16-19H,3-7,14-15H2,1-2H3,(H,28,30)(H,29,31)
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35n/an/an/an/an/an/an/an/a



25288493

Curated by ChEMBL


Assay Description
Binding affinity to human alpha1B adrenergic receptor transfected in COS1 cells assessed as compound required to occupy 50% of receptor


Bioorg Med Chem 22: 5910-6 (2014)


Article DOI: 10.1016/j.bmc.2014.09.017
BindingDB Entry DOI: 10.7270/Q2NS0WP5
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50103894
PNG
(CHEMBL3343983)
Show SMILES COc1ccc2c(NCCCCCCCNc3ccnc4cc(OC)ccc34)ccnc2c1
Show InChI InChI=1S/C27H32N4O2/c1-32-20-8-10-22-24(12-16-30-26(22)18-20)28-14-6-4-3-5-7-15-29-25-13-17-31-27-19-21(33-2)9-11-23(25)27/h8-13,16-19H,3-7,14-15H2,1-2H3,(H,28,30)(H,29,31)
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35n/an/an/an/an/an/an/an/a



25288493

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from human alpha1B adrenergic receptor transfected in COS1 cells


Bioorg Med Chem 22: 5910-6 (2014)


Article DOI: 10.1016/j.bmc.2014.09.017
BindingDB Entry DOI: 10.7270/Q2NS0WP5
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50103889
PNG
(CHEMBL3343979)
Show SMILES Cc1cccc2c(NCCNc3ccnc4c(C)cccc34)ccnc12
Show InChI InChI=1S/C22H22N4/c1-15-5-3-7-17-19(9-11-25-21(15)17)23-13-14-24-20-10-12-26-22-16(2)6-4-8-18(20)22/h3-12H,13-14H2,1-2H3,(H,23,25)(H,24,26)
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40n/an/an/an/an/an/an/an/a



25288493

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from human alpha1B adrenergic receptor transfected in COS1 cells


Bioorg Med Chem 22: 5910-6 (2014)


Article DOI: 10.1016/j.bmc.2014.09.017
BindingDB Entry DOI: 10.7270/Q2NS0WP5
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50103889
PNG
(CHEMBL3343979)
Show SMILES Cc1cccc2c(NCCNc3ccnc4c(C)cccc34)ccnc12
Show InChI InChI=1S/C22H22N4/c1-15-5-3-7-17-19(9-11-25-21(15)17)23-13-14-24-20-10-12-26-22-16(2)6-4-8-18(20)22/h3-12H,13-14H2,1-2H3,(H,23,25)(H,24,26)
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40n/an/an/an/an/an/an/an/a



25288493

Curated by ChEMBL


Assay Description
Binding affinity to human alpha1B adrenergic receptor transfected in COS1 cells assessed as compound required to occupy 50% of receptor


Bioorg Med Chem 22: 5910-6 (2014)


Article DOI: 10.1016/j.bmc.2014.09.017
BindingDB Entry DOI: 10.7270/Q2NS0WP5
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50103887
PNG
(CHEMBL3343977)
Show SMILES Cc1ccc2c(NCCNc3ccnc4cc(C)ccc34)ccnc2c1
Show InChI InChI=1S/C22H22N4/c1-15-3-5-17-19(7-9-23-21(17)13-15)25-11-12-26-20-8-10-24-22-14-16(2)4-6-18(20)22/h3-10,13-14H,11-12H2,1-2H3,(H,23,25)(H,24,26)
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48n/an/an/an/an/an/an/an/a



25288493

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from human alpha1B adrenergic receptor transfected in COS1 cells


Bioorg Med Chem 22: 5910-6 (2014)


Article DOI: 10.1016/j.bmc.2014.09.017
BindingDB Entry DOI: 10.7270/Q2NS0WP5
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50103887
PNG
(CHEMBL3343977)
Show SMILES Cc1ccc2c(NCCNc3ccnc4cc(C)ccc34)ccnc2c1
Show InChI InChI=1S/C22H22N4/c1-15-3-5-17-19(7-9-23-21(17)13-15)25-11-12-26-20-8-10-24-22-14-16(2)4-6-18(20)22/h3-10,13-14H,11-12H2,1-2H3,(H,23,25)(H,24,26)
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48n/an/an/an/an/an/an/an/a



25288493

Curated by ChEMBL


Assay Description
Binding affinity to human alpha1B adrenergic receptor transfected in COS1 cells assessed as compound required to occupy 50% of receptor


Bioorg Med Chem 22: 5910-6 (2014)


Article DOI: 10.1016/j.bmc.2014.09.017
BindingDB Entry DOI: 10.7270/Q2NS0WP5
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50103888
PNG
(CHEMBL3343978)
Show SMILES COc1ccc2c(NCCNc3ccnc4cc(OC)ccc34)ccnc2c1
Show InChI InChI=1S/C22H22N4O2/c1-27-15-3-5-17-19(7-9-23-21(17)13-15)25-11-12-26-20-8-10-24-22-14-16(28-2)4-6-18(20)22/h3-10,13-14H,11-12H2,1-2H3,(H,23,25)(H,24,26)
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50n/an/an/an/an/an/an/an/a



25288493

Curated by ChEMBL


Assay Description
Binding affinity to human alpha1B adrenergic receptor transfected in COS1 cells assessed as compound required to occupy 50% of receptor


Bioorg Med Chem 22: 5910-6 (2014)


Article DOI: 10.1016/j.bmc.2014.09.017
BindingDB Entry DOI: 10.7270/Q2NS0WP5
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50103888
PNG
(CHEMBL3343978)
Show SMILES COc1ccc2c(NCCNc3ccnc4cc(OC)ccc34)ccnc2c1
Show InChI InChI=1S/C22H22N4O2/c1-27-15-3-5-17-19(7-9-23-21(17)13-15)25-11-12-26-20-8-10-24-22-14-16(28-2)4-6-18(20)22/h3-10,13-14H,11-12H2,1-2H3,(H,23,25)(H,24,26)
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50n/an/an/an/an/an/an/an/a



25288493

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from human alpha1B adrenergic receptor transfected in COS1 cells


Bioorg Med Chem 22: 5910-6 (2014)


Article DOI: 10.1016/j.bmc.2014.09.017
BindingDB Entry DOI: 10.7270/Q2NS0WP5
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50103893
PNG
(CHEMBL3343982)
Show SMILES Cc1ccc2c(NCCCCCCCNc3ccnc4cc(C)ccc34)ccnc2c1
Show InChI InChI=1S/C27H32N4/c1-20-8-10-22-24(12-16-30-26(22)18-20)28-14-6-4-3-5-7-15-29-25-13-17-31-27-19-21(2)9-11-23(25)27/h8-13,16-19H,3-7,14-15H2,1-2H3,(H,28,30)(H,29,31)
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51n/an/an/an/an/an/an/an/a



25288493

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from human alpha1B adrenergic receptor transfected in COS1 cells


Bioorg Med Chem 22: 5910-6 (2014)


Article DOI: 10.1016/j.bmc.2014.09.017
BindingDB Entry DOI: 10.7270/Q2NS0WP5
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50103893
PNG
(CHEMBL3343982)
Show SMILES Cc1ccc2c(NCCCCCCCNc3ccnc4cc(C)ccc34)ccnc2c1
Show InChI InChI=1S/C27H32N4/c1-20-8-10-22-24(12-16-30-26(22)18-20)28-14-6-4-3-5-7-15-29-25-13-17-31-27-19-21(2)9-11-23(25)27/h8-13,16-19H,3-7,14-15H2,1-2H3,(H,28,30)(H,29,31)
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51n/an/an/an/an/an/an/an/a



25288493

Curated by ChEMBL


Assay Description
Binding affinity to human alpha1B adrenergic receptor transfected in COS1 cells assessed as compound required to occupy 50% of receptor


Bioorg Med Chem 22: 5910-6 (2014)


Article DOI: 10.1016/j.bmc.2014.09.017
BindingDB Entry DOI: 10.7270/Q2NS0WP5
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50103888
PNG
(CHEMBL3343978)
Show SMILES COc1ccc2c(NCCNc3ccnc4cc(OC)ccc34)ccnc2c1
Show InChI InChI=1S/C22H22N4O2/c1-27-15-3-5-17-19(7-9-23-21(17)13-15)25-11-12-26-20-8-10-24-22-14-16(28-2)4-6-18(20)22/h3-10,13-14H,11-12H2,1-2H3,(H,23,25)(H,24,26)
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69n/an/an/an/an/an/an/an/a



25288493

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from human alpha1A adrenergic receptor transfected in COS1 cells


Bioorg Med Chem 22: 5910-6 (2014)


Article DOI: 10.1016/j.bmc.2014.09.017
BindingDB Entry DOI: 10.7270/Q2NS0WP5
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50103888
PNG
(CHEMBL3343978)
Show SMILES COc1ccc2c(NCCNc3ccnc4cc(OC)ccc34)ccnc2c1
Show InChI InChI=1S/C22H22N4O2/c1-27-15-3-5-17-19(7-9-23-21(17)13-15)25-11-12-26-20-8-10-24-22-14-16(28-2)4-6-18(20)22/h3-10,13-14H,11-12H2,1-2H3,(H,23,25)(H,24,26)
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69n/an/an/an/an/an/an/an/a



25288493

Curated by ChEMBL


Assay Description
Binding affinity to human alpha1A adrenergic receptor transfected in COS1 cells assessed as compound required to occupy 50% of receptor


Bioorg Med Chem 22: 5910-6 (2014)


Article DOI: 10.1016/j.bmc.2014.09.017
BindingDB Entry DOI: 10.7270/Q2NS0WP5
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50103895
PNG
(CHEMBL3343984)
Show SMILES COc1cccc2c(NCCCCCCCNc3ccnc4c(OC)cccc34)ccnc12
Show InChI InChI=1S/C27H32N4O2/c1-32-24-12-8-10-20-22(14-18-30-26(20)24)28-16-6-4-3-5-7-17-29-23-15-19-31-27-21(23)11-9-13-25(27)33-2/h8-15,18-19H,3-7,16-17H2,1-2H3,(H,28,30)(H,29,31)
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74n/an/an/an/an/an/an/an/a



25288493

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from human alpha1A adrenergic receptor transfected in COS1 cells


Bioorg Med Chem 22: 5910-6 (2014)


Article DOI: 10.1016/j.bmc.2014.09.017
BindingDB Entry DOI: 10.7270/Q2NS0WP5
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50103895
PNG
(CHEMBL3343984)
Show SMILES COc1cccc2c(NCCCCCCCNc3ccnc4c(OC)cccc34)ccnc12
Show InChI InChI=1S/C27H32N4O2/c1-32-24-12-8-10-20-22(14-18-30-26(20)24)28-16-6-4-3-5-7-17-29-23-15-19-31-27-21(23)11-9-13-25(27)33-2/h8-15,18-19H,3-7,16-17H2,1-2H3,(H,28,30)(H,29,31)
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74n/an/an/an/an/an/an/an/a



25288493

Curated by ChEMBL


Assay Description
Binding affinity to human alpha1A adrenergic receptor transfected in COS1 cells assessed as compound required to occupy 50% of receptor


Bioorg Med Chem 22: 5910-6 (2014)


Article DOI: 10.1016/j.bmc.2014.09.017
BindingDB Entry DOI: 10.7270/Q2NS0WP5
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50103893
PNG
(CHEMBL3343982)
Show SMILES Cc1ccc2c(NCCCCCCCNc3ccnc4cc(C)ccc34)ccnc2c1
Show InChI InChI=1S/C27H32N4/c1-20-8-10-22-24(12-16-30-26(22)18-20)28-14-6-4-3-5-7-15-29-25-13-17-31-27-19-21(2)9-11-23(25)27/h8-13,16-19H,3-7,14-15H2,1-2H3,(H,28,30)(H,29,31)
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112n/an/an/an/an/an/an/an/a



25288493

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from human alpha1A adrenergic receptor transfected in COS1 cells


Bioorg Med Chem 22: 5910-6 (2014)


Article DOI: 10.1016/j.bmc.2014.09.017
BindingDB Entry DOI: 10.7270/Q2NS0WP5
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50103893
PNG
(CHEMBL3343982)
Show SMILES Cc1ccc2c(NCCCCCCCNc3ccnc4cc(C)ccc34)ccnc2c1
Show InChI InChI=1S/C27H32N4/c1-20-8-10-22-24(12-16-30-26(22)18-20)28-14-6-4-3-5-7-15-29-25-13-17-31-27-19-21(2)9-11-23(25)27/h8-13,16-19H,3-7,14-15H2,1-2H3,(H,28,30)(H,29,31)
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112n/an/an/an/an/an/an/an/a



25288493

Curated by ChEMBL


Assay Description
Binding affinity to human alpha1A adrenergic receptor transfected in COS1 cells assessed as compound required to occupy 50% of receptor


Bioorg Med Chem 22: 5910-6 (2014)


Article DOI: 10.1016/j.bmc.2014.09.017
BindingDB Entry DOI: 10.7270/Q2NS0WP5
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50103887
PNG
(CHEMBL3343977)
Show SMILES Cc1ccc2c(NCCNc3ccnc4cc(C)ccc34)ccnc2c1
Show InChI InChI=1S/C22H22N4/c1-15-3-5-17-19(7-9-23-21(17)13-15)25-11-12-26-20-8-10-24-22-14-16(2)4-6-18(20)22/h3-10,13-14H,11-12H2,1-2H3,(H,23,25)(H,24,26)
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120n/an/an/an/an/an/an/an/a



25288493

Curated by ChEMBL


Assay Description
Binding affinity to human alpha1A adrenergic receptor transfected in COS1 cells assessed as compound required to occupy 50% of receptor


Bioorg Med Chem 22: 5910-6 (2014)


Article DOI: 10.1016/j.bmc.2014.09.017
BindingDB Entry DOI: 10.7270/Q2NS0WP5
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50103887
PNG
(CHEMBL3343977)
Show SMILES Cc1ccc2c(NCCNc3ccnc4cc(C)ccc34)ccnc2c1
Show InChI InChI=1S/C22H22N4/c1-15-3-5-17-19(7-9-23-21(17)13-15)25-11-12-26-20-8-10-24-22-14-16(2)4-6-18(20)22/h3-10,13-14H,11-12H2,1-2H3,(H,23,25)(H,24,26)
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120n/an/an/an/an/an/an/an/a



25288493

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from human alpha1A adrenergic receptor transfected in COS1 cells


Bioorg Med Chem 22: 5910-6 (2014)


Article DOI: 10.1016/j.bmc.2014.09.017
BindingDB Entry DOI: 10.7270/Q2NS0WP5
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM10452
PNG
(Bivalent 4-Aminoquinoline 9f | N,N-di-4-Quinolyl-1...)
Show SMILES C(CCCNc1ccnc2ccccc12)CCCNc1ccnc2ccccc12
Show InChI InChI=1S/C25H28N4/c1(2-8-16-26-24-14-18-28-22-12-6-4-10-20(22)24)3-9-17-27-25-15-19-29-23-13-7-5-11-21(23)25/h4-7,10-15,18-19H,1-3,8-9,16-17H2,(H,26,28)(H,27,29)
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126n/an/an/an/an/an/an/an/a



25288493

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from human alpha1A adrenergic receptor transfected in COS1 cells


Bioorg Med Chem 22: 5910-6 (2014)


Article DOI: 10.1016/j.bmc.2014.09.017
BindingDB Entry DOI: 10.7270/Q2NS0WP5
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM10452
PNG
(Bivalent 4-Aminoquinoline 9f | N,N-di-4-Quinolyl-1...)
Show SMILES C(CCCNc1ccnc2ccccc12)CCCNc1ccnc2ccccc12
Show InChI InChI=1S/C25H28N4/c1(2-8-16-26-24-14-18-28-22-12-6-4-10-20(22)24)3-9-17-27-25-15-19-29-23-13-7-5-11-21(23)25/h4-7,10-15,18-19H,1-3,8-9,16-17H2,(H,26,28)(H,27,29)
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126n/an/an/an/an/an/an/an/a



25288493

Curated by ChEMBL


Assay Description
Binding affinity to human alpha1A adrenergic receptor transfected in COS1 cells assessed as compound required to occupy 50% of receptor


Bioorg Med Chem 22: 5910-6 (2014)


Article DOI: 10.1016/j.bmc.2014.09.017
BindingDB Entry DOI: 10.7270/Q2NS0WP5
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50103897
PNG
(CHEMBL3343976)
Show SMILES Cc1ccc2nccc(NCCNc3ccnc4ccc(C)cc34)c2c1
Show InChI InChI=1S/C22H22N4/c1-15-3-5-19-17(13-15)21(7-9-23-19)25-11-12-26-22-8-10-24-20-6-4-16(2)14-18(20)22/h3-10,13-14H,11-12H2,1-2H3,(H,23,25)(H,24,26)
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135n/an/an/an/an/an/an/an/a



25288493

Curated by ChEMBL


Assay Description
Binding affinity to human alpha1A adrenergic receptor transfected in COS1 cells assessed as compound required to occupy 50% of receptor


Bioorg Med Chem 22: 5910-6 (2014)


Article DOI: 10.1016/j.bmc.2014.09.017
BindingDB Entry DOI: 10.7270/Q2NS0WP5
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50103897
PNG
(CHEMBL3343976)
Show SMILES Cc1ccc2nccc(NCCNc3ccnc4ccc(C)cc34)c2c1
Show InChI InChI=1S/C22H22N4/c1-15-3-5-19-17(13-15)21(7-9-23-19)25-11-12-26-22-8-10-24-20-6-4-16(2)14-18(20)22/h3-10,13-14H,11-12H2,1-2H3,(H,23,25)(H,24,26)
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135n/an/an/an/an/an/an/an/a



25288493

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from human alpha1A adrenergic receptor transfected in COS1 cells


Bioorg Med Chem 22: 5910-6 (2014)


Article DOI: 10.1016/j.bmc.2014.09.017
BindingDB Entry DOI: 10.7270/Q2NS0WP5
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50103892
PNG
(CHEMBL3343981)
Show SMILES COc1ccc2nccc(NCCCCCCCNc3ccnc4ccc(OC)cc34)c2c1
Show InChI InChI=1S/C27H32N4O2/c1-32-20-8-10-24-22(18-20)26(12-16-30-24)28-14-6-4-3-5-7-15-29-27-13-17-31-25-11-9-21(33-2)19-23(25)27/h8-13,16-19H,3-7,14-15H2,1-2H3,(H,28,30)(H,29,31)
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148n/an/an/an/an/an/an/an/a



25288493

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from human alpha1B adrenergic receptor transfected in COS1 cells


Bioorg Med Chem 22: 5910-6 (2014)


Article DOI: 10.1016/j.bmc.2014.09.017
BindingDB Entry DOI: 10.7270/Q2NS0WP5
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM10452
PNG
(Bivalent 4-Aminoquinoline 9f | N,N-di-4-Quinolyl-1...)
Show SMILES C(CCCNc1ccnc2ccccc12)CCCNc1ccnc2ccccc12
Show InChI InChI=1S/C25H28N4/c1(2-8-16-26-24-14-18-28-22-12-6-4-10-20(22)24)3-9-17-27-25-15-19-29-23-13-7-5-11-21(23)25/h4-7,10-15,18-19H,1-3,8-9,16-17H2,(H,26,28)(H,27,29)
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148n/an/an/an/an/an/an/an/a



25288493

Curated by ChEMBL


Assay Description
Binding affinity to human alpha1B adrenergic receptor transfected in COS1 cells assessed as compound required to occupy 50% of receptor


Bioorg Med Chem 22: 5910-6 (2014)


Article DOI: 10.1016/j.bmc.2014.09.017
BindingDB Entry DOI: 10.7270/Q2NS0WP5
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM10452
PNG
(Bivalent 4-Aminoquinoline 9f | N,N-di-4-Quinolyl-1...)
Show SMILES C(CCCNc1ccnc2ccccc12)CCCNc1ccnc2ccccc12
Show InChI InChI=1S/C25H28N4/c1(2-8-16-26-24-14-18-28-22-12-6-4-10-20(22)24)3-9-17-27-25-15-19-29-23-13-7-5-11-21(23)25/h4-7,10-15,18-19H,1-3,8-9,16-17H2,(H,26,28)(H,27,29)
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148n/an/an/an/an/an/an/an/a



25288493

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from human alpha1B adrenergic receptor transfected in COS1 cells


Bioorg Med Chem 22: 5910-6 (2014)


Article DOI: 10.1016/j.bmc.2014.09.017
BindingDB Entry DOI: 10.7270/Q2NS0WP5
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50103892
PNG
(CHEMBL3343981)
Show SMILES COc1ccc2nccc(NCCCCCCCNc3ccnc4ccc(OC)cc34)c2c1
Show InChI InChI=1S/C27H32N4O2/c1-32-20-8-10-24-22(18-20)26(12-16-30-24)28-14-6-4-3-5-7-15-29-27-13-17-31-25-11-9-21(33-2)19-23(25)27/h8-13,16-19H,3-7,14-15H2,1-2H3,(H,28,30)(H,29,31)
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148n/an/an/an/an/an/an/an/a



25288493

Curated by ChEMBL


Assay Description
Binding affinity to human alpha1B adrenergic receptor transfected in COS1 cells assessed as compound required to occupy 50% of receptor


Bioorg Med Chem 22: 5910-6 (2014)


Article DOI: 10.1016/j.bmc.2014.09.017
BindingDB Entry DOI: 10.7270/Q2NS0WP5
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50103891
PNG
(CHEMBL3343980)
Show SMILES Cc1ccc2nccc(NCCCCCCCNc3ccnc4ccc(C)cc34)c2c1
Show InChI InChI=1S/C27H32N4/c1-20-8-10-24-22(18-20)26(12-16-30-24)28-14-6-4-3-5-7-15-29-27-13-17-31-25-11-9-21(2)19-23(25)27/h8-13,16-19H,3-7,14-15H2,1-2H3,(H,28,30)(H,29,31)
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151n/an/an/an/an/an/an/an/a



25288493

Curated by ChEMBL


Assay Description
Binding affinity to human alpha1B adrenergic receptor transfected in COS1 cells assessed as compound required to occupy 50% of receptor


Bioorg Med Chem 22: 5910-6 (2014)


Article DOI: 10.1016/j.bmc.2014.09.017
BindingDB Entry DOI: 10.7270/Q2NS0WP5
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50103891
PNG
(CHEMBL3343980)
Show SMILES Cc1ccc2nccc(NCCCCCCCNc3ccnc4ccc(C)cc34)c2c1
Show InChI InChI=1S/C27H32N4/c1-20-8-10-24-22(18-20)26(12-16-30-24)28-14-6-4-3-5-7-15-29-27-13-17-31-25-11-9-21(2)19-23(25)27/h8-13,16-19H,3-7,14-15H2,1-2H3,(H,28,30)(H,29,31)
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151n/an/an/an/an/an/an/an/a



25288493

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from human alpha1B adrenergic receptor transfected in COS1 cells


Bioorg Med Chem 22: 5910-6 (2014)


Article DOI: 10.1016/j.bmc.2014.09.017
BindingDB Entry DOI: 10.7270/Q2NS0WP5
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50103895
PNG
(CHEMBL3343984)
Show SMILES COc1cccc2c(NCCCCCCCNc3ccnc4c(OC)cccc34)ccnc12
Show InChI InChI=1S/C27H32N4O2/c1-32-24-12-8-10-20-22(14-18-30-26(20)24)28-16-6-4-3-5-7-17-29-23-15-19-31-27-21(23)11-9-13-25(27)33-2/h8-15,18-19H,3-7,16-17H2,1-2H3,(H,28,30)(H,29,31)
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155n/an/an/an/an/an/an/an/a



25288493

Curated by ChEMBL


Assay Description
Binding affinity to human alpha1B adrenergic receptor transfected in COS1 cells assessed as compound required to occupy 50% of receptor


Bioorg Med Chem 22: 5910-6 (2014)


Article DOI: 10.1016/j.bmc.2014.09.017
BindingDB Entry DOI: 10.7270/Q2NS0WP5
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50103895
PNG
(CHEMBL3343984)
Show SMILES COc1cccc2c(NCCCCCCCNc3ccnc4c(OC)cccc34)ccnc12
Show InChI InChI=1S/C27H32N4O2/c1-32-24-12-8-10-20-22(14-18-30-26(20)24)28-16-6-4-3-5-7-17-29-23-15-19-31-27-21(23)11-9-13-25(27)33-2/h8-15,18-19H,3-7,16-17H2,1-2H3,(H,28,30)(H,29,31)
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155n/an/an/an/an/an/an/an/a



25288493

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from human alpha1B adrenergic receptor transfected in COS1 cells


Bioorg Med Chem 22: 5910-6 (2014)


Article DOI: 10.1016/j.bmc.2014.09.017
BindingDB Entry DOI: 10.7270/Q2NS0WP5
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50103890
PNG
(CHEMBL532818)
Show SMILES COc1cccc2c(NCCNc3ccnc4c(OC)cccc34)ccnc12
Show InChI InChI=1S/C22H22N4O2/c1-27-19-7-3-5-15-17(9-11-25-21(15)19)23-13-14-24-18-10-12-26-22-16(18)6-4-8-20(22)28-2/h3-12H,13-14H2,1-2H3,(H,23,25)(H,24,26)
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195n/an/an/an/an/an/an/an/a



25288493

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from human alpha1A adrenergic receptor transfected in COS1 cells


Bioorg Med Chem 22: 5910-6 (2014)


Article DOI: 10.1016/j.bmc.2014.09.017
BindingDB Entry DOI: 10.7270/Q2NS0WP5
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50103890
PNG
(CHEMBL532818)
Show SMILES COc1cccc2c(NCCNc3ccnc4c(OC)cccc34)ccnc12
Show InChI InChI=1S/C22H22N4O2/c1-27-19-7-3-5-15-17(9-11-25-21(15)19)23-13-14-24-18-10-12-26-22-16(18)6-4-8-20(22)28-2/h3-12H,13-14H2,1-2H3,(H,23,25)(H,24,26)
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195n/an/an/an/an/an/an/an/a



25288493

Curated by ChEMBL


Assay Description
Binding affinity to human alpha1A adrenergic receptor transfected in COS1 cells assessed as compound required to occupy 50% of receptor


Bioorg Med Chem 22: 5910-6 (2014)


Article DOI: 10.1016/j.bmc.2014.09.017
BindingDB Entry DOI: 10.7270/Q2NS0WP5
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(HUMAN)
BDBM50103887
PNG
(CHEMBL3343977)
Show SMILES Cc1ccc2c(NCCNc3ccnc4cc(C)ccc34)ccnc2c1
Show InChI InChI=1S/C22H22N4/c1-15-3-5-17-19(7-9-23-21(17)13-15)25-11-12-26-20-8-10-24-22-14-16(2)4-6-18(20)22/h3-10,13-14H,11-12H2,1-2H3,(H,23,25)(H,24,26)
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204n/an/an/an/an/an/an/an/a



25288493

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from human alpha1D adrenergic receptor transfected in COS1 cells


Bioorg Med Chem 22: 5910-6 (2014)


Article DOI: 10.1016/j.bmc.2014.09.017
BindingDB Entry DOI: 10.7270/Q2NS0WP5
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(HUMAN)
BDBM50103887
PNG
(CHEMBL3343977)
Show SMILES Cc1ccc2c(NCCNc3ccnc4cc(C)ccc34)ccnc2c1
Show InChI InChI=1S/C22H22N4/c1-15-3-5-17-19(7-9-23-21(17)13-15)25-11-12-26-20-8-10-24-22-14-16(2)4-6-18(20)22/h3-10,13-14H,11-12H2,1-2H3,(H,23,25)(H,24,26)
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204n/an/an/an/an/an/an/an/a



25288493

Curated by ChEMBL


Assay Description
Binding affinity to human alpha1D adrenergic receptor transfected in COS1 cells assessed as compound required to occupy 50% of receptor


Bioorg Med Chem 22: 5910-6 (2014)


Article DOI: 10.1016/j.bmc.2014.09.017
BindingDB Entry DOI: 10.7270/Q2NS0WP5
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(HUMAN)
BDBM50103888
PNG
(CHEMBL3343978)
Show SMILES COc1ccc2c(NCCNc3ccnc4cc(OC)ccc34)ccnc2c1
Show InChI InChI=1S/C22H22N4O2/c1-27-15-3-5-17-19(7-9-23-21(17)13-15)25-11-12-26-20-8-10-24-22-14-16(28-2)4-6-18(20)22/h3-10,13-14H,11-12H2,1-2H3,(H,23,25)(H,24,26)
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214n/an/an/an/an/an/an/an/a



25288493

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from human alpha1D adrenergic receptor transfected in COS1 cells


Bioorg Med Chem 22: 5910-6 (2014)


Article DOI: 10.1016/j.bmc.2014.09.017
BindingDB Entry DOI: 10.7270/Q2NS0WP5
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(HUMAN)
BDBM50103888
PNG
(CHEMBL3343978)
Show SMILES COc1ccc2c(NCCNc3ccnc4cc(OC)ccc34)ccnc2c1
Show InChI InChI=1S/C22H22N4O2/c1-27-15-3-5-17-19(7-9-23-21(17)13-15)25-11-12-26-20-8-10-24-22-14-16(28-2)4-6-18(20)22/h3-10,13-14H,11-12H2,1-2H3,(H,23,25)(H,24,26)
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214n/an/an/an/an/an/an/an/a



25288493

Curated by ChEMBL


Assay Description
Binding affinity to human alpha1D adrenergic receptor transfected in COS1 cells assessed as compound required to occupy 50% of receptor


Bioorg Med Chem 22: 5910-6 (2014)


Article DOI: 10.1016/j.bmc.2014.09.017
BindingDB Entry DOI: 10.7270/Q2NS0WP5
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(HUMAN)
BDBM50103894
PNG
(CHEMBL3343983)
Show SMILES COc1ccc2c(NCCCCCCCNc3ccnc4cc(OC)ccc34)ccnc2c1
Show InChI InChI=1S/C27H32N4O2/c1-32-20-8-10-22-24(12-16-30-26(22)18-20)28-14-6-4-3-5-7-15-29-25-13-17-31-27-19-21(33-2)9-11-23(25)27/h8-13,16-19H,3-7,14-15H2,1-2H3,(H,28,30)(H,29,31)
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229n/an/an/an/an/an/an/an/a



25288493

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from human alpha1D adrenergic receptor transfected in COS1 cells


Bioorg Med Chem 22: 5910-6 (2014)


Article DOI: 10.1016/j.bmc.2014.09.017
BindingDB Entry DOI: 10.7270/Q2NS0WP5
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(HUMAN)
BDBM50103894
PNG
(CHEMBL3343983)
Show SMILES COc1ccc2c(NCCCCCCCNc3ccnc4cc(OC)ccc34)ccnc2c1
Show InChI InChI=1S/C27H32N4O2/c1-32-20-8-10-22-24(12-16-30-26(22)18-20)28-14-6-4-3-5-7-15-29-25-13-17-31-27-19-21(33-2)9-11-23(25)27/h8-13,16-19H,3-7,14-15H2,1-2H3,(H,28,30)(H,29,31)
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229n/an/an/an/an/an/an/an/a



25288493

Curated by ChEMBL


Assay Description
Binding affinity to human alpha1D adrenergic receptor transfected in COS1 cells assessed as compound required to occupy 50% of receptor


Bioorg Med Chem 22: 5910-6 (2014)


Article DOI: 10.1016/j.bmc.2014.09.017
BindingDB Entry DOI: 10.7270/Q2NS0WP5
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50103894
PNG
(CHEMBL3343983)
Show SMILES COc1ccc2c(NCCCCCCCNc3ccnc4cc(OC)ccc34)ccnc2c1
Show InChI InChI=1S/C27H32N4O2/c1-32-20-8-10-22-24(12-16-30-26(22)18-20)28-14-6-4-3-5-7-15-29-25-13-17-31-27-19-21(33-2)9-11-23(25)27/h8-13,16-19H,3-7,14-15H2,1-2H3,(H,28,30)(H,29,31)
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257n/an/an/an/an/an/an/an/a



25288493

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from human alpha1A adrenergic receptor transfected in COS1 cells


Bioorg Med Chem 22: 5910-6 (2014)


Article DOI: 10.1016/j.bmc.2014.09.017
BindingDB Entry DOI: 10.7270/Q2NS0WP5
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50103894
PNG
(CHEMBL3343983)
Show SMILES COc1ccc2c(NCCCCCCCNc3ccnc4cc(OC)ccc34)ccnc2c1
Show InChI InChI=1S/C27H32N4O2/c1-32-20-8-10-22-24(12-16-30-26(22)18-20)28-14-6-4-3-5-7-15-29-25-13-17-31-27-19-21(33-2)9-11-23(25)27/h8-13,16-19H,3-7,14-15H2,1-2H3,(H,28,30)(H,29,31)
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257n/an/an/an/an/an/an/an/a



25288493

Curated by ChEMBL


Assay Description
Binding affinity to human alpha1A adrenergic receptor transfected in COS1 cells assessed as compound required to occupy 50% of receptor


Bioorg Med Chem 22: 5910-6 (2014)


Article DOI: 10.1016/j.bmc.2014.09.017
BindingDB Entry DOI: 10.7270/Q2NS0WP5
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(HUMAN)
BDBM10452
PNG
(Bivalent 4-Aminoquinoline 9f | N,N-di-4-Quinolyl-1...)
Show SMILES C(CCCNc1ccnc2ccccc12)CCCNc1ccnc2ccccc12
Show InChI InChI=1S/C25H28N4/c1(2-8-16-26-24-14-18-28-22-12-6-4-10-20(22)24)3-9-17-27-25-15-19-29-23-13-7-5-11-21(23)25/h4-7,10-15,18-19H,1-3,8-9,16-17H2,(H,26,28)(H,27,29)
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309n/an/an/an/an/an/an/an/a



25288493

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from human alpha1D adrenergic receptor transfected in COS1 cells


Bioorg Med Chem 22: 5910-6 (2014)


Article DOI: 10.1016/j.bmc.2014.09.017
BindingDB Entry DOI: 10.7270/Q2NS0WP5
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(HUMAN)
BDBM10452
PNG
(Bivalent 4-Aminoquinoline 9f | N,N-di-4-Quinolyl-1...)
Show SMILES C(CCCNc1ccnc2ccccc12)CCCNc1ccnc2ccccc12
Show InChI InChI=1S/C25H28N4/c1(2-8-16-26-24-14-18-28-22-12-6-4-10-20(22)24)3-9-17-27-25-15-19-29-23-13-7-5-11-21(23)25/h4-7,10-15,18-19H,1-3,8-9,16-17H2,(H,26,28)(H,27,29)
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309n/an/an/an/an/an/an/an/a



25288493

Curated by ChEMBL


Assay Description
Binding affinity to human alpha1D adrenergic receptor transfected in COS1 cells assessed as compound required to occupy 50% of receptor


Bioorg Med Chem 22: 5910-6 (2014)


Article DOI: 10.1016/j.bmc.2014.09.017
BindingDB Entry DOI: 10.7270/Q2NS0WP5
More data for this
Ligand-Target Pair
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