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Compile Data Set for Download or QSAR

Found 114 hits Enz. Inhib. hit(s) with all data for entry = 50047523   
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-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50173109
PNG
(CHEMBL3809093)
Show SMILES CC(Cc1cc(C(N)=O)c2n(CCCO)ccc2c1)NCCOc1ccccc1OCc1ccccc1
Show InChI InChI=1/C30H35N3O4/c1-22(18-24-19-25-12-15-33(14-7-16-34)29(25)26(20-24)30(31)35)32-13-17-36-27-10-5-6-11-28(27)37-21-23-8-3-2-4-9-23/h2-6,8-12,15,19-20,22,32,34H,7,13-14,16-18,21H2,1H3,(H2,31,35)
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n/an/a 0.100n/an/an/an/an/an/a



Chengdu University

Curated by ChEMBL


Assay Description
Antagonist activity at alpha-1D adrenergic receptor (unknown origin) transfected in HEK293 cells assessed as reduction in agonist-induced calcium mob...


J Med Chem 59: 3826-39 (2016)


BindingDB Entry DOI: 10.7270/Q22N5461
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50172997
PNG
(CHEMBL3808726)
Show SMILES CC(Cc1cc2CCN(CCCO)c2c(c1)C(N)=O)NCCOc1cc(Br)ccc1OCC(F)(F)F
Show InChI InChI=1/C25H31BrF3N3O4/c1-16(31-6-10-35-22-14-19(26)3-4-21(22)36-15-25(27,28)29)11-17-12-18-5-8-32(7-2-9-33)23(18)20(13-17)24(30)34/h3-4,12-14,16,31,33H,2,5-11,15H2,1H3,(H2,30,34)
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Chengdu University

Curated by ChEMBL


Assay Description
Antagonist activity at alpha-1D adrenergic receptor (unknown origin) transfected in HEK293 cells assessed as reduction in agonist-induced calcium mob...


J Med Chem 59: 3826-39 (2016)


BindingDB Entry DOI: 10.7270/Q22N5461
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50173112
PNG
(CHEMBL3810110)
Show SMILES COc1ccc(F)cc1OCCNC(C)Cc1cc(C(N)=O)c2n(CCCO)ccc2c1
Show InChI InChI=1/C24H30FN3O4/c1-16(27-7-11-32-22-15-19(25)4-5-21(22)31-2)12-17-13-18-6-9-28(8-3-10-29)23(18)20(14-17)24(26)30/h4-6,9,13-16,27,29H,3,7-8,10-12H2,1-2H3,(H2,26,30)
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Chengdu University

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha-1A adrenergic receptor transfected in HEK293 cells assessed as reduction in agonist-induced calcium mobilization a...


J Med Chem 59: 3826-39 (2016)


BindingDB Entry DOI: 10.7270/Q22N5461
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50173117
PNG
(CHEMBL3809319)
Show SMILES COc1ccccc1OCCNC(C)Cc1cc(C(N)=O)c2n(CCCO)ccc2c1
Show InChI InChI=1/C24H31N3O4/c1-17(26-9-13-31-22-7-4-3-6-21(22)30-2)14-18-15-19-8-11-27(10-5-12-28)23(19)20(16-18)24(25)29/h3-4,6-8,11,15-17,26,28H,5,9-10,12-14H2,1-2H3,(H2,25,29)
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Chengdu University

Curated by ChEMBL


Assay Description
Antagonist activity at alpha-1D adrenergic receptor (unknown origin) transfected in HEK293 cells assessed as reduction in agonist-induced calcium mob...


J Med Chem 59: 3826-39 (2016)


BindingDB Entry DOI: 10.7270/Q22N5461
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50173112
PNG
(CHEMBL3810110)
Show SMILES COc1ccc(F)cc1OCCNC(C)Cc1cc(C(N)=O)c2n(CCCO)ccc2c1
Show InChI InChI=1/C24H30FN3O4/c1-16(27-7-11-32-22-15-19(25)4-5-21(22)31-2)12-17-13-18-6-9-28(8-3-10-29)23(18)20(14-17)24(26)30/h4-6,9,13-16,27,29H,3,7-8,10-12H2,1-2H3,(H2,26,30)
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Chengdu University

Curated by ChEMBL


Assay Description
Antagonist activity at alpha-1D adrenergic receptor (unknown origin) transfected in HEK293 cells assessed as reduction in agonist-induced calcium mob...


J Med Chem 59: 3826-39 (2016)


BindingDB Entry DOI: 10.7270/Q22N5461
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50173118
PNG
(CHEMBL3808999)
Show SMILES CCc1ccccc1OCCNC(C)Cc1cc(C(N)=O)c2n(CCCO)ccc2c1
Show InChI InChI=1/C25H33N3O3/c1-3-20-7-4-5-8-23(20)31-14-10-27-18(2)15-19-16-21-9-12-28(11-6-13-29)24(21)22(17-19)25(26)30/h4-5,7-9,12,16-18,27,29H,3,6,10-11,13-15H2,1-2H3,(H2,26,30)
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Chengdu University

Curated by ChEMBL


Assay Description
Antagonist activity at alpha-1D adrenergic receptor (unknown origin) transfected in HEK293 cells assessed as reduction in agonist-induced calcium mob...


J Med Chem 59: 3826-39 (2016)


BindingDB Entry DOI: 10.7270/Q22N5461
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50173004
PNG
(CHEMBL3808896)
Show SMILES COc1ccc(F)cc1OCCNC(C)Cc1cc2CCN(CCCO)c2c(c1)C(N)=O
Show InChI InChI=1/C24H32FN3O4/c1-16(27-7-11-32-22-15-19(25)4-5-21(22)31-2)12-17-13-18-6-9-28(8-3-10-29)23(18)20(14-17)24(26)30/h4-5,13-16,27,29H,3,6-12H2,1-2H3,(H2,26,30)
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Chengdu University

Curated by ChEMBL


Assay Description
Antagonist activity at alpha-1D adrenergic receptor (unknown origin) transfected in HEK293 cells assessed as reduction in agonist-induced calcium mob...


J Med Chem 59: 3826-39 (2016)


BindingDB Entry DOI: 10.7270/Q22N5461
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50173116
PNG
(CHEMBL3810145)
Show SMILES CC(Cc1cc(C(N)=O)c2n(CCCO)ccc2c1)NCCOc1cc(Cl)ccc1OCC(F)(F)F
Show InChI InChI=1/C25H29ClF3N3O4/c1-16(31-6-10-35-22-14-19(26)3-4-21(22)36-15-25(27,28)29)11-17-12-18-5-8-32(7-2-9-33)23(18)20(13-17)24(30)34/h3-5,8,12-14,16,31,33H,2,6-7,9-11,15H2,1H3,(H2,30,34)
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Chengdu University

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha-1A adrenergic receptor transfected in HEK293 cells assessed as reduction in agonist-induced calcium mobilization a...


J Med Chem 59: 3826-39 (2016)


BindingDB Entry DOI: 10.7270/Q22N5461
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50172999
PNG
(CHEMBL3808632)
Show SMILES CC(Cc1cc2CCN(CCCO)c2c(c1)C(N)=O)NCCOc1ccccc1OCc1ccccc1
Show InChI InChI=1/C30H37N3O4/c1-22(18-24-19-25-12-15-33(14-7-16-34)29(25)26(20-24)30(31)35)32-13-17-36-27-10-5-6-11-28(27)37-21-23-8-3-2-4-9-23/h2-6,8-11,19-20,22,32,34H,7,12-18,21H2,1H3,(H2,31,35)
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Chengdu University

Curated by ChEMBL


Assay Description
Antagonist activity at alpha-1D adrenergic receptor (unknown origin) transfected in HEK293 cells assessed as reduction in agonist-induced calcium mob...


J Med Chem 59: 3826-39 (2016)


BindingDB Entry DOI: 10.7270/Q22N5461
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50173101
PNG
(CHEMBL3808572)
Show SMILES CC(Cc1cc(C(N)=O)c2n(CCCO)ccc2c1)NCCOc1ccccc1OCC(F)(F)F
Show InChI InChI=1/C25H30F3N3O4/c1-17(30-8-12-34-21-5-2-3-6-22(21)35-16-25(26,27)28)13-18-14-19-7-10-31(9-4-11-32)23(19)20(15-18)24(29)33/h2-3,5-7,10,14-15,17,30,32H,4,8-9,11-13,16H2,1H3,(H2,29,33)
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Chengdu University

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha-1A adrenergic receptor transfected in HEK293 cells assessed as reduction in agonist-induced calcium mobilization a...


J Med Chem 59: 3826-39 (2016)


BindingDB Entry DOI: 10.7270/Q22N5461
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50173108
PNG
(CHEMBL3809490)
Show SMILES C[C@H](Cc1cc(C(N)=O)c2n(CCCO)ccc2c1)NCCOc1cc(C)ccc1OCC(F)(F)F |r|
Show InChI InChI=1/C26H32F3N3O4/c1-17-4-5-22(36-16-26(27,28)29)23(12-17)35-11-7-31-18(2)13-19-14-20-6-9-32(8-3-10-33)24(20)21(15-19)25(30)34/h4-6,9,12,14-15,18,31,33H,3,7-8,10-11,13,16H2,1-2H3,(H2,30,34)/t18-/s2
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Chengdu University

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha-1A adrenergic receptor transfected in HEK293 cells assessed as reduction in agonist-induced calcium mobilization a...


J Med Chem 59: 3826-39 (2016)


BindingDB Entry DOI: 10.7270/Q22N5461
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50172992
PNG
(CHEMBL3809248)
Show SMILES CCOc1ccccc1OCCNC(C)Cc1cc(C(N)=O)c2n(CCCO)ccc2c1
Show InChI InChI=1/C25H33N3O4/c1-3-31-22-7-4-5-8-23(22)32-14-10-27-18(2)15-19-16-20-9-12-28(11-6-13-29)24(20)21(17-19)25(26)30/h4-5,7-9,12,16-18,27,29H,3,6,10-11,13-15H2,1-2H3,(H2,26,30)
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Chengdu University

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha-1A adrenergic receptor transfected in HEK293 cells assessed as reduction in agonist-induced calcium mobilization a...


J Med Chem 59: 3826-39 (2016)


BindingDB Entry DOI: 10.7270/Q22N5461
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50160154
PNG
(1-(3-Hydroxy-propyl)-5-((R)-2-{2-[2-(2,2,2-trifluo...)
Show SMILES C[C@H](Cc1cc2CCN(CCCO)c2c(c1)C(N)=O)NCCOc1ccccc1OCC(F)(F)F
Show InChI InChI=1S/C25H32F3N3O4/c1-17(30-8-12-34-21-5-2-3-6-22(21)35-16-25(26,27)28)13-18-14-19-7-10-31(9-4-11-32)23(19)20(15-18)24(29)33/h2-3,5-6,14-15,17,30,32H,4,7-13,16H2,1H3,(H2,29,33)/t17-/m1/s1
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Chengdu University

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha-1A adrenergic receptor transfected in HEK293 cells assessed as reduction in agonist-induced calcium mobilization a...


J Med Chem 59: 3826-39 (2016)


BindingDB Entry DOI: 10.7270/Q22N5461
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50173115
PNG
(CHEMBL3809840)
Show SMILES CC(Cc1cc(C(N)=O)c2n(CCCO)ccc2c1)NCCOc1cc(C)ccc1OCC(F)(F)F
Show InChI InChI=1/C26H32F3N3O4/c1-17-4-5-22(36-16-26(27,28)29)23(12-17)35-11-7-31-18(2)13-19-14-20-6-9-32(8-3-10-33)24(20)21(15-19)25(30)34/h4-6,9,12,14-15,18,31,33H,3,7-8,10-11,13,16H2,1-2H3,(H2,30,34)
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Chengdu University

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha-1A adrenergic receptor transfected in HEK293 cells assessed as reduction in agonist-induced calcium mobilization a...


J Med Chem 59: 3826-39 (2016)


BindingDB Entry DOI: 10.7270/Q22N5461
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50172992
PNG
(CHEMBL3809248)
Show SMILES CCOc1ccccc1OCCNC(C)Cc1cc(C(N)=O)c2n(CCCO)ccc2c1
Show InChI InChI=1/C25H33N3O4/c1-3-31-22-7-4-5-8-23(22)32-14-10-27-18(2)15-19-16-20-9-12-28(11-6-13-29)24(20)21(17-19)25(26)30/h4-5,7-9,12,16-18,27,29H,3,6,10-11,13-15H2,1-2H3,(H2,26,30)
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Chengdu University

Curated by ChEMBL


Assay Description
Antagonist activity at alpha-1D adrenergic receptor (unknown origin) transfected in HEK293 cells assessed as reduction in agonist-induced calcium mob...


J Med Chem 59: 3826-39 (2016)


BindingDB Entry DOI: 10.7270/Q22N5461
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50173109
PNG
(CHEMBL3809093)
Show SMILES CC(Cc1cc(C(N)=O)c2n(CCCO)ccc2c1)NCCOc1ccccc1OCc1ccccc1
Show InChI InChI=1/C30H35N3O4/c1-22(18-24-19-25-12-15-33(14-7-16-34)29(25)26(20-24)30(31)35)32-13-17-36-27-10-5-6-11-28(27)37-21-23-8-3-2-4-9-23/h2-6,8-12,15,19-20,22,32,34H,7,13-14,16-18,21H2,1H3,(H2,31,35)
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Chengdu University

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha-1A adrenergic receptor transfected in HEK293 cells assessed as reduction in agonist-induced calcium mobilization a...


J Med Chem 59: 3826-39 (2016)


BindingDB Entry DOI: 10.7270/Q22N5461
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50172994
PNG
(CHEMBL3810346)
Show SMILES C[C@H](Cc1cc2CCN(CCCO)c2c(c1)C(N)=O)NCCOc1cc(Cl)ccc1OCC(F)(F)F |r|
Show InChI InChI=1/C25H31ClF3N3O4/c1-16(31-6-10-35-22-14-19(26)3-4-21(22)36-15-25(27,28)29)11-17-12-18-5-8-32(7-2-9-33)23(18)20(13-17)24(30)34/h3-4,12-14,16,31,33H,2,5-11,15H2,1H3,(H2,30,34)/t16-/s2
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Chengdu University

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha-1A adrenergic receptor transfected in HEK293 cells assessed as reduction in agonist-induced calcium mobilization a...


J Med Chem 59: 3826-39 (2016)


BindingDB Entry DOI: 10.7270/Q22N5461
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50172997
PNG
(CHEMBL3808726)
Show SMILES CC(Cc1cc2CCN(CCCO)c2c(c1)C(N)=O)NCCOc1cc(Br)ccc1OCC(F)(F)F
Show InChI InChI=1/C25H31BrF3N3O4/c1-16(31-6-10-35-22-14-19(26)3-4-21(22)36-15-25(27,28)29)11-17-12-18-5-8-32(7-2-9-33)23(18)20(13-17)24(30)34/h3-4,12-14,16,31,33H,2,5-11,15H2,1H3,(H2,30,34)
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Chengdu University

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha-1A adrenergic receptor transfected in HEK293 cells assessed as reduction in agonist-induced calcium mobilization a...


J Med Chem 59: 3826-39 (2016)


BindingDB Entry DOI: 10.7270/Q22N5461
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50173110
PNG
(CHEMBL3808511)
Show SMILES CC(Cc1cc(C(N)=O)c2n(CCCO)ccc2c1)NCCOc1ccc(F)cc1Br
Show InChI InChI=1/C23H27BrFN3O3/c1-15(27-6-10-31-21-4-3-18(25)14-20(21)24)11-16-12-17-5-8-28(7-2-9-29)22(17)19(13-16)23(26)30/h3-5,8,12-15,27,29H,2,6-7,9-11H2,1H3,(H2,26,30)
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Chengdu University

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha-1A adrenergic receptor transfected in HEK293 cells assessed as reduction in agonist-induced calcium mobilization a...


J Med Chem 59: 3826-39 (2016)


BindingDB Entry DOI: 10.7270/Q22N5461
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50173004
PNG
(CHEMBL3808896)
Show SMILES COc1ccc(F)cc1OCCNC(C)Cc1cc2CCN(CCCO)c2c(c1)C(N)=O
Show InChI InChI=1/C24H32FN3O4/c1-16(27-7-11-32-22-15-19(25)4-5-21(22)31-2)12-17-13-18-6-9-28(8-3-10-29)23(18)20(14-17)24(26)30/h4-5,13-16,27,29H,3,6-12H2,1-2H3,(H2,26,30)
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Chengdu University

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha-1A adrenergic receptor transfected in HEK293 cells assessed as reduction in agonist-induced calcium mobilization a...


J Med Chem 59: 3826-39 (2016)


BindingDB Entry DOI: 10.7270/Q22N5461
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50172998
PNG
(CHEMBL3809175)
Show SMILES COc1cc(Br)ccc1OCCNC(C)Cc1cc2CCN(CCCO)c2c(c1)C(N)=O
Show InChI InChI=1/C24H32BrN3O4/c1-16(27-7-11-32-21-5-4-19(25)15-22(21)31-2)12-17-13-18-6-9-28(8-3-10-29)23(18)20(14-17)24(26)30/h4-5,13-16,27,29H,3,6-12H2,1-2H3,(H2,26,30)
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Chengdu University

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha-1A adrenergic receptor transfected in HEK293 cells assessed as reduction in agonist-induced calcium mobilization a...


J Med Chem 59: 3826-39 (2016)


BindingDB Entry DOI: 10.7270/Q22N5461
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50173003
PNG
(CHEMBL3187195)
Show SMILES CC(Cc1cc2CCN(CCCO)c2c(c1)C(N)=O)NCCOc1ccccc1OCC(F)(F)F
Show InChI InChI=1S/C25H32F3N3O4/c1-17(30-8-12-34-21-5-2-3-6-22(21)35-16-25(26,27)28)13-18-14-19-7-10-31(9-4-11-32)23(19)20(15-18)24(29)33/h2-3,5-6,14-15,17,30,32H,4,7-13,16H2,1H3,(H2,29,33)
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Chengdu University

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha-1A adrenergic receptor transfected in HEK293 cells assessed as reduction in agonist-induced calcium mobilization a...


J Med Chem 59: 3826-39 (2016)


BindingDB Entry DOI: 10.7270/Q22N5461
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50173114
PNG
(CHEMBL3810005)
Show SMILES CC(Cc1cc2CCN(CCCO)c2c(c1)C(N)=O)NCCOc1cc(Cl)ccc1OCC(F)(F)F
Show InChI InChI=1/C25H31ClF3N3O4/c1-16(31-6-10-35-22-14-19(26)3-4-21(22)36-15-25(27,28)29)11-17-12-18-5-8-32(7-2-9-33)23(18)20(13-17)24(30)34/h3-4,12-14,16,31,33H,2,5-11,15H2,1H3,(H2,30,34)
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Chengdu University

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha-1A adrenergic receptor transfected in HEK293 cells assessed as reduction in agonist-induced calcium mobilization a...


J Med Chem 59: 3826-39 (2016)


BindingDB Entry DOI: 10.7270/Q22N5461
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50173100
PNG
(CHEMBL3809794)
Show SMILES COc1cc(Br)ccc1OCCNC(C)Cc1cc(C(N)=O)c2n(CCCO)ccc2c1
Show InChI InChI=1/C24H30BrN3O4/c1-16(27-7-11-32-21-5-4-19(25)15-22(21)31-2)12-17-13-18-6-9-28(8-3-10-29)23(18)20(14-17)24(26)30/h4-6,9,13-16,27,29H,3,7-8,10-12H2,1-2H3,(H2,26,30)
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Chengdu University

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha-1A adrenergic receptor transfected in HEK293 cells assessed as reduction in agonist-induced calcium mobilization a...


J Med Chem 59: 3826-39 (2016)


BindingDB Entry DOI: 10.7270/Q22N5461
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50173113
PNG
(CHEMBL3809630)
Show SMILES CC(Cc1cc2CCN(CCCO)c2c(c1)C(N)=O)NCCOc1ccc(F)cc1OCC(F)(F)F
Show InChI InChI=1/C25H31F4N3O4/c1-16(31-6-10-35-21-4-3-19(26)14-22(21)36-15-25(27,28)29)11-17-12-18-5-8-32(7-2-9-33)23(18)20(13-17)24(30)34/h3-4,12-14,16,31,33H,2,5-11,15H2,1H3,(H2,30,34)
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Chengdu University

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha-1A adrenergic receptor transfected in HEK293 cells assessed as reduction in agonist-induced calcium mobilization a...


J Med Chem 59: 3826-39 (2016)


BindingDB Entry DOI: 10.7270/Q22N5461
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50173117
PNG
(CHEMBL3809319)
Show SMILES COc1ccccc1OCCNC(C)Cc1cc(C(N)=O)c2n(CCCO)ccc2c1
Show InChI InChI=1/C24H31N3O4/c1-17(26-9-13-31-22-7-4-3-6-21(22)30-2)14-18-15-19-8-11-27(10-5-12-28)23(19)20(16-18)24(25)29/h3-4,6-8,11,15-17,26,28H,5,9-10,12-14H2,1-2H3,(H2,25,29)
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Chengdu University

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha-1A adrenergic receptor transfected in HEK293 cells assessed as reduction in agonist-induced calcium mobilization a...


J Med Chem 59: 3826-39 (2016)


BindingDB Entry DOI: 10.7270/Q22N5461
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50173005
PNG
(CHEMBL3809600)
Show SMILES COc1cc(F)ccc1OCCNC(C)Cc1cc2CCN(CCCO)c2c(c1)C(N)=O
Show InChI InChI=1/C24H32FN3O4/c1-16(27-7-11-32-21-5-4-19(25)15-22(21)31-2)12-17-13-18-6-9-28(8-3-10-29)23(18)20(14-17)24(26)30/h4-5,13-16,27,29H,3,6-12H2,1-2H3,(H2,26,30)
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Chengdu University

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha-1A adrenergic receptor transfected in HEK293 cells assessed as reduction in agonist-induced calcium mobilization a...


J Med Chem 59: 3826-39 (2016)


BindingDB Entry DOI: 10.7270/Q22N5461
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50173002
PNG
(CHEMBL3808408)
Show SMILES COc1ccccc1OCCNC(C)Cc1cc2CCN(CCCO)c2c(c1)C(N)=O
Show InChI InChI=1/C24H33N3O4/c1-17(26-9-13-31-22-7-4-3-6-21(22)30-2)14-18-15-19-8-11-27(10-5-12-28)23(19)20(16-18)24(25)29/h3-4,6-7,15-17,26,28H,5,8-14H2,1-2H3,(H2,25,29)
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Chengdu University

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha-1A adrenergic receptor transfected in HEK293 cells assessed as reduction in agonist-induced calcium mobilization a...


J Med Chem 59: 3826-39 (2016)


BindingDB Entry DOI: 10.7270/Q22N5461
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50173111
PNG
(CHEMBL3810220)
Show SMILES COc1cc(C)ccc1OCCNC(C)Cc1cc2CCN(CCCO)c2c(c1)C(N)=O
Show InChI InChI=1/C25H35N3O4/c1-17-5-6-22(23(13-17)31-3)32-12-8-27-18(2)14-19-15-20-7-10-28(9-4-11-29)24(20)21(16-19)25(26)30/h5-6,13,15-16,18,27,29H,4,7-12,14H2,1-3H3,(H2,26,30)
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Chengdu University

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha-1A adrenergic receptor transfected in HEK293 cells assessed as reduction in agonist-induced calcium mobilization a...


J Med Chem 59: 3826-39 (2016)


BindingDB Entry DOI: 10.7270/Q22N5461
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50173104
PNG
(CHEMBL3809676)
Show SMILES COc1cc(F)ccc1OCCNC(C)Cc1cc(C(N)=O)c2n(CCCO)ccc2c1
Show InChI InChI=1/C24H30FN3O4/c1-16(27-7-11-32-21-5-4-19(25)15-22(21)31-2)12-17-13-18-6-9-28(8-3-10-29)23(18)20(14-17)24(26)30/h4-6,9,13-16,27,29H,3,7-8,10-12H2,1-2H3,(H2,26,30)
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Chengdu University

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha-1A adrenergic receptor transfected in HEK293 cells assessed as reduction in agonist-induced calcium mobilization a...


J Med Chem 59: 3826-39 (2016)


BindingDB Entry DOI: 10.7270/Q22N5461
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50173006
PNG
(CHEMBL3808417)
Show SMILES COc1cc(Cl)ccc1OCCNC(C)Cc1cc2CCN(CCCO)c2c(c1)C(N)=O
Show InChI InChI=1/C24H32ClN3O4/c1-16(27-7-11-32-21-5-4-19(25)15-22(21)31-2)12-17-13-18-6-9-28(8-3-10-29)23(18)20(14-17)24(26)30/h4-5,13-16,27,29H,3,6-12H2,1-2H3,(H2,26,30)
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Chengdu University

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha-1A adrenergic receptor transfected in HEK293 cells assessed as reduction in agonist-induced calcium mobilization a...


J Med Chem 59: 3826-39 (2016)


BindingDB Entry DOI: 10.7270/Q22N5461
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50172999
PNG
(CHEMBL3808632)
Show SMILES CC(Cc1cc2CCN(CCCO)c2c(c1)C(N)=O)NCCOc1ccccc1OCc1ccccc1
Show InChI InChI=1/C30H37N3O4/c1-22(18-24-19-25-12-15-33(14-7-16-34)29(25)26(20-24)30(31)35)32-13-17-36-27-10-5-6-11-28(27)37-21-23-8-3-2-4-9-23/h2-6,8-11,19-20,22,32,34H,7,12-18,21H2,1H3,(H2,31,35)
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Chengdu University

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha-1A adrenergic receptor transfected in HEK293 cells assessed as reduction in agonist-induced calcium mobilization a...


J Med Chem 59: 3826-39 (2016)


BindingDB Entry DOI: 10.7270/Q22N5461
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50173104
PNG
(CHEMBL3809676)
Show SMILES COc1cc(F)ccc1OCCNC(C)Cc1cc(C(N)=O)c2n(CCCO)ccc2c1
Show InChI InChI=1/C24H30FN3O4/c1-16(27-7-11-32-21-5-4-19(25)15-22(21)31-2)12-17-13-18-6-9-28(8-3-10-29)23(18)20(14-17)24(26)30/h4-6,9,13-16,27,29H,3,7-8,10-12H2,1-2H3,(H2,26,30)
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n/an/a 11n/an/an/an/an/an/a



Chengdu University

Curated by ChEMBL


Assay Description
Antagonist activity at alpha-1D adrenergic receptor (unknown origin) transfected in HEK293 cells assessed as reduction in agonist-induced calcium mob...


J Med Chem 59: 3826-39 (2016)


BindingDB Entry DOI: 10.7270/Q22N5461
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50173003
PNG
(CHEMBL3187195)
Show SMILES CC(Cc1cc2CCN(CCCO)c2c(c1)C(N)=O)NCCOc1ccccc1OCC(F)(F)F
Show InChI InChI=1S/C25H32F3N3O4/c1-17(30-8-12-34-21-5-2-3-6-22(21)35-16-25(26,27)28)13-18-14-19-7-10-31(9-4-11-32)23(19)20(15-18)24(29)33/h2-3,5-6,14-15,17,30,32H,4,7-13,16H2,1H3,(H2,29,33)
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Chengdu University

Curated by ChEMBL


Assay Description
Antagonist activity at alpha-1D adrenergic receptor (unknown origin) transfected in HEK293 cells assessed as reduction in agonist-induced calcium mob...


J Med Chem 59: 3826-39 (2016)


BindingDB Entry DOI: 10.7270/Q22N5461
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50173000
PNG
(CHEMBL3808878)
Show SMILES CC(Cc1cc2CCN(CCCO)c2c(c1)C(N)=O)NCCOc1ccccc1C
Show InChI InChI=1/C24H33N3O3/c1-17-6-3-4-7-22(17)30-13-9-26-18(2)14-19-15-20-8-11-27(10-5-12-28)23(20)21(16-19)24(25)29/h3-4,6-7,15-16,18,26,28H,5,8-14H2,1-2H3,(H2,25,29)
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n/an/a 14n/an/an/an/an/an/a



Chengdu University

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha-1A adrenergic receptor transfected in HEK293 cells assessed as reduction in agonist-induced calcium mobilization a...


J Med Chem 59: 3826-39 (2016)


BindingDB Entry DOI: 10.7270/Q22N5461
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50173105
PNG
(CHEMBL3810401)
Show SMILES COc1cc(Cl)ccc1OCCNC(C)Cc1cc(C(N)=O)c2n(CCCO)ccc2c1
Show InChI InChI=1/C24H30ClN3O4/c1-16(27-7-11-32-21-5-4-19(25)15-22(21)31-2)12-17-13-18-6-9-28(8-3-10-29)23(18)20(14-17)24(26)30/h4-6,9,13-16,27,29H,3,7-8,10-12H2,1-2H3,(H2,26,30)
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n/an/a 15n/an/an/an/an/an/a



Chengdu University

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha-1A adrenergic receptor transfected in HEK293 cells assessed as reduction in agonist-induced calcium mobilization a...


J Med Chem 59: 3826-39 (2016)


BindingDB Entry DOI: 10.7270/Q22N5461
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50173101
PNG
(CHEMBL3808572)
Show SMILES CC(Cc1cc(C(N)=O)c2n(CCCO)ccc2c1)NCCOc1ccccc1OCC(F)(F)F
Show InChI InChI=1/C25H30F3N3O4/c1-17(30-8-12-34-21-5-2-3-6-22(21)35-16-25(26,27)28)13-18-14-19-7-10-31(9-4-11-32)23(19)20(15-18)24(29)33/h2-3,5-7,10,14-15,17,30,32H,4,8-9,11-13,16H2,1H3,(H2,29,33)
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Chengdu University

Curated by ChEMBL


Assay Description
Antagonist activity at alpha-1D adrenergic receptor (unknown origin) transfected in HEK293 cells assessed as reduction in agonist-induced calcium mob...


J Med Chem 59: 3826-39 (2016)


BindingDB Entry DOI: 10.7270/Q22N5461
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50173002
PNG
(CHEMBL3808408)
Show SMILES COc1ccccc1OCCNC(C)Cc1cc2CCN(CCCO)c2c(c1)C(N)=O
Show InChI InChI=1/C24H33N3O4/c1-17(26-9-13-31-22-7-4-3-6-21(22)30-2)14-18-15-19-8-11-27(10-5-12-28)23(19)20(16-18)24(25)29/h3-4,6-7,15-17,26,28H,5,8-14H2,1-2H3,(H2,25,29)
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Chengdu University

Curated by ChEMBL


Assay Description
Antagonist activity at alpha-1D adrenergic receptor (unknown origin) transfected in HEK293 cells assessed as reduction in agonist-induced calcium mob...


J Med Chem 59: 3826-39 (2016)


BindingDB Entry DOI: 10.7270/Q22N5461
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50172996
PNG
(CHEMBL3808717)
Show SMILES CCc1ccc(OCC(F)(F)F)c(OCCNC(C)Cc2cc(C(N)=O)c3n(CCCO)ccc3c2)c1
Show InChI InChI=1/C27H34F3N3O4/c1-3-19-5-6-23(37-17-27(28,29)30)24(16-19)36-12-8-32-18(2)13-20-14-21-7-10-33(9-4-11-34)25(21)22(15-20)26(31)35/h5-7,10,14-16,18,32,34H,3-4,8-9,11-13,17H2,1-2H3,(H2,31,35)
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n/an/a 17n/an/an/an/an/an/a



Chengdu University

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha-1A adrenergic receptor transfected in HEK293 cells assessed as reduction in agonist-induced calcium mobilization a...


J Med Chem 59: 3826-39 (2016)


BindingDB Entry DOI: 10.7270/Q22N5461
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50173118
PNG
(CHEMBL3808999)
Show SMILES CCc1ccccc1OCCNC(C)Cc1cc(C(N)=O)c2n(CCCO)ccc2c1
Show InChI InChI=1/C25H33N3O3/c1-3-20-7-4-5-8-23(20)31-14-10-27-18(2)15-19-16-21-9-12-28(11-6-13-29)24(21)22(17-19)25(26)30/h4-5,7-9,12,16-18,27,29H,3,6,10-11,13-15H2,1-2H3,(H2,26,30)
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n/an/a 21n/an/an/an/an/an/a



Chengdu University

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha-1A adrenergic receptor transfected in HEK293 cells assessed as reduction in agonist-induced calcium mobilization a...


J Med Chem 59: 3826-39 (2016)


BindingDB Entry DOI: 10.7270/Q22N5461
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50173110
PNG
(CHEMBL3808511)
Show SMILES CC(Cc1cc(C(N)=O)c2n(CCCO)ccc2c1)NCCOc1ccc(F)cc1Br
Show InChI InChI=1/C23H27BrFN3O3/c1-15(27-6-10-31-21-4-3-18(25)14-20(21)24)11-16-12-17-5-8-28(7-2-9-29)22(17)19(13-16)23(26)30/h3-5,8,12-15,27,29H,2,6-7,9-11H2,1H3,(H2,26,30)
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n/an/a 22n/an/an/an/an/an/a



Chengdu University

Curated by ChEMBL


Assay Description
Antagonist activity at alpha-1D adrenergic receptor (unknown origin) transfected in HEK293 cells assessed as reduction in agonist-induced calcium mob...


J Med Chem 59: 3826-39 (2016)


BindingDB Entry DOI: 10.7270/Q22N5461
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50173103
PNG
(CHEMBL3809532)
Show SMILES CC(Cc1cc2CCN(CCCO)c2c(c1)C(N)=O)NCCOc1c(C)cccc1C
Show InChI InChI=1/C25H35N3O3/c1-17-6-4-7-18(2)24(17)31-13-9-27-19(3)14-20-15-21-8-11-28(10-5-12-29)23(21)22(16-20)25(26)30/h4,6-7,15-16,19,27,29H,5,8-14H2,1-3H3,(H2,26,30)
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n/an/a 22n/an/an/an/an/an/a



Chengdu University

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha-1A adrenergic receptor transfected in HEK293 cells assessed as reduction in agonist-induced calcium mobilization a...


J Med Chem 59: 3826-39 (2016)


BindingDB Entry DOI: 10.7270/Q22N5461
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50173001
PNG
(CHEMBL3810198)
Show SMILES CCc1ccccc1OCCNC(C)Cc1cc2CCN(CCCO)c2c(c1)C(N)=O
Show InChI InChI=1/C25H35N3O3/c1-3-20-7-4-5-8-23(20)31-14-10-27-18(2)15-19-16-21-9-12-28(11-6-13-29)24(21)22(17-19)25(26)30/h4-5,7-8,16-18,27,29H,3,6,9-15H2,1-2H3,(H2,26,30)
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n/an/a 26n/an/an/an/an/an/a



Chengdu University

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha-1A adrenergic receptor transfected in HEK293 cells assessed as reduction in agonist-induced calcium mobilization a...


J Med Chem 59: 3826-39 (2016)


BindingDB Entry DOI: 10.7270/Q22N5461
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50160154
PNG
(1-(3-Hydroxy-propyl)-5-((R)-2-{2-[2-(2,2,2-trifluo...)
Show SMILES C[C@H](Cc1cc2CCN(CCCO)c2c(c1)C(N)=O)NCCOc1ccccc1OCC(F)(F)F
Show InChI InChI=1S/C25H32F3N3O4/c1-17(30-8-12-34-21-5-2-3-6-22(21)35-16-25(26,27)28)13-18-14-19-7-10-31(9-4-11-32)23(19)20(15-18)24(29)33/h2-3,5-6,14-15,17,30,32H,4,7-13,16H2,1H3,(H2,29,33)/t17-/m1/s1
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n/an/a 27n/an/an/an/an/an/a



Chengdu University

Curated by ChEMBL


Assay Description
Antagonist activity at alpha-1D adrenergic receptor (unknown origin) transfected in HEK293 cells assessed as reduction in agonist-induced calcium mob...


J Med Chem 59: 3826-39 (2016)


BindingDB Entry DOI: 10.7270/Q22N5461
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50172991
PNG
(CHEMBL3809781)
Show SMILES CC(Cc1cc2CCN(CCCO)c2c(c1)C(N)=O)NCCOc1ccc2OCOc2c1
Show InChI InChI=1/C24H31N3O5/c1-16(26-6-10-30-19-3-4-21-22(14-19)32-15-31-21)11-17-12-18-5-8-27(7-2-9-28)23(18)20(13-17)24(25)29/h3-4,12-14,16,26,28H,2,5-11,15H2,1H3,(H2,25,29)
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n/an/a 28n/an/an/an/an/an/a



Chengdu University

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha-1A adrenergic receptor transfected in HEK293 cells assessed as reduction in agonist-induced calcium mobilization a...


J Med Chem 59: 3826-39 (2016)


BindingDB Entry DOI: 10.7270/Q22N5461
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50173105
PNG
(CHEMBL3810401)
Show SMILES COc1cc(Cl)ccc1OCCNC(C)Cc1cc(C(N)=O)c2n(CCCO)ccc2c1
Show InChI InChI=1/C24H30ClN3O4/c1-16(27-7-11-32-21-5-4-19(25)15-22(21)31-2)12-17-13-18-6-9-28(8-3-10-29)23(18)20(14-17)24(26)30/h4-6,9,13-16,27,29H,3,7-8,10-12H2,1-2H3,(H2,26,30)
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n/an/a 32n/an/an/an/an/an/a



Chengdu University

Curated by ChEMBL


Assay Description
Antagonist activity at alpha-1D adrenergic receptor (unknown origin) transfected in HEK293 cells assessed as reduction in agonist-induced calcium mob...


J Med Chem 59: 3826-39 (2016)


BindingDB Entry DOI: 10.7270/Q22N5461
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50172997
PNG
(CHEMBL3808726)
Show SMILES CC(Cc1cc2CCN(CCCO)c2c(c1)C(N)=O)NCCOc1cc(Br)ccc1OCC(F)(F)F
Show InChI InChI=1/C25H31BrF3N3O4/c1-16(31-6-10-35-22-14-19(26)3-4-21(22)36-15-25(27,28)29)11-17-12-18-5-8-32(7-2-9-33)23(18)20(13-17)24(30)34/h3-4,12-14,16,31,33H,2,5-11,15H2,1H3,(H2,30,34)
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n/an/a 33n/an/an/an/an/an/a



Chengdu University

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha-1B adrenergic receptor transfected in HEK293 cells assessed as reduction in agonist-induced calcium mobilization a...


J Med Chem 59: 3826-39 (2016)


BindingDB Entry DOI: 10.7270/Q22N5461
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50172992
PNG
(CHEMBL3809248)
Show SMILES CCOc1ccccc1OCCNC(C)Cc1cc(C(N)=O)c2n(CCCO)ccc2c1
Show InChI InChI=1/C25H33N3O4/c1-3-31-22-7-4-5-8-23(22)32-14-10-27-18(2)15-19-16-20-9-12-28(11-6-13-29)24(20)21(17-19)25(26)30/h4-5,7-9,12,16-18,27,29H,3,6,10-11,13-15H2,1-2H3,(H2,26,30)
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n/an/a 36n/an/an/an/an/an/a



Chengdu University

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha-1B adrenergic receptor transfected in HEK293 cells assessed as reduction in agonist-induced calcium mobilization a...


J Med Chem 59: 3826-39 (2016)


BindingDB Entry DOI: 10.7270/Q22N5461
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50173000
PNG
(CHEMBL3808878)
Show SMILES CC(Cc1cc2CCN(CCCO)c2c(c1)C(N)=O)NCCOc1ccccc1C
Show InChI InChI=1/C24H33N3O3/c1-17-6-3-4-7-22(17)30-13-9-26-18(2)14-19-15-20-8-11-27(10-5-12-28)23(20)21(16-19)24(25)29/h3-4,6-7,15-16,18,26,28H,5,8-14H2,1-2H3,(H2,25,29)
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n/an/a 37n/an/an/an/an/an/a



Chengdu University

Curated by ChEMBL


Assay Description
Antagonist activity at alpha-1D adrenergic receptor (unknown origin) transfected in HEK293 cells assessed as reduction in agonist-induced calcium mob...


J Med Chem 59: 3826-39 (2016)


BindingDB Entry DOI: 10.7270/Q22N5461
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50172993
PNG
(CHEMBL3810187)
Show SMILES CCc1ccc(OCC(F)(F)F)c(OCCNC(C)Cc2cc3CCN(CCCO)c3c(c2)C(N)=O)c1
Show InChI InChI=1/C27H36F3N3O4/c1-3-19-5-6-23(37-17-27(28,29)30)24(16-19)36-12-8-32-18(2)13-20-14-21-7-10-33(9-4-11-34)25(21)22(15-20)26(31)35/h5-6,14-16,18,32,34H,3-4,7-13,17H2,1-2H3,(H2,31,35)
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n/an/a 38n/an/an/an/an/an/a



Chengdu University

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha-1A adrenergic receptor transfected in HEK293 cells assessed as reduction in agonist-induced calcium mobilization a...


J Med Chem 59: 3826-39 (2016)


BindingDB Entry DOI: 10.7270/Q22N5461
More data for this
Ligand-Target Pair
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