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Compile Data Set for Download or QSAR

Found 289 hits of ec50 data for polymerid = 5868   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM?mit=repeat
Kd
nM
EC50/IC50
nM?mit=repeat
koff
s-1
kon
M-1s-1
pHTemp
°C
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50108090
PNG
(CHEMBL3600395)
Show SMILES CS(=O)(=O)Nc1cccc(c1)[C@@H](O)CNCCOc1ccc2c(n[nH]c2c1)C1CC1
Show InChI InChI=1S/C21H26N4O4S/c1-30(27,28)25-16-4-2-3-15(11-16)20(26)13-22-9-10-29-17-7-8-18-19(12-17)23-24-21(18)14-5-6-14/h2-4,7-8,11-12,14,20,22,25-26H,5-6,9-10,13H2,1H3,(H,23,24)/t20-/m0/s1
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n/an/an/an/a 1.55E+3n/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human alpha1A-adrenergic receptor expressed in HEK293 cells assessed as calcium flux by fluorescence assay


J Med Chem 58: 6048-57 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00638
BindingDB Entry DOI: 10.7270/Q2NG4SDR
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50259332
PNG
(2-(2,3-dihydro-1H-inden-2-yl)-1H-imidazole | CHEMB...)
Show SMILES C1C(Cc2ccccc12)c1ncc[nH]1
Show InChI InChI=1S/C12H12N2/c1-2-4-10-8-11(7-9(10)3-1)12-13-5-6-14-12/h1-6,11H,7-8H2,(H,13,14)
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n/an/an/an/a 1.65E+3n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic alpha1A receptor expressed in CHO cells assessed as calcium mobilization by FLIPR


Bioorg Med Chem Lett 19: 3118-21 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.162
BindingDB Entry DOI: 10.7270/Q2R78F42
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50377402
PNG
(CHEMBL260576)
Show SMILES C1Cc2c(cccc2-c2cccnc2)C1c1ncc[nH]1
Show InChI InChI=1S/C17H15N3/c1-4-13(12-3-2-8-18-11-12)15-6-7-16(14(15)5-1)17-19-9-10-20-17/h1-5,8-11,16H,6-7H2,(H,19,20)
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n/an/an/an/a 2.06E+3n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic alpha-1A receptor expressed in CHO cells assessed as calcium mobilization by FLIPR


Bioorg Med Chem Lett 18: 2930-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.070
BindingDB Entry DOI: 10.7270/Q2VQ33KM
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50377393
PNG
(CHEMBL257977)
Show SMILES CS(=O)(=O)Nc1cccc2C(CCCc12)c1ncc[nH]1
Show InChI InChI=1S/C14H17N3O2S/c1-20(18,19)17-13-7-3-4-10-11(13)5-2-6-12(10)14-15-8-9-16-14/h3-4,7-9,12,17H,2,5-6H2,1H3,(H,15,16)
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n/an/an/an/a 2.15E+3n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic alpha-1A receptor expressed in CHO cells assessed as calcium mobilization by FLIPR


Bioorg Med Chem Lett 18: 2930-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.070
BindingDB Entry DOI: 10.7270/Q2VQ33KM
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50377392
PNG
(CHEMBL257976)
Show SMILES CNC(=O)c1cccc2C(CCc12)c1ncc[nH]1
Show InChI InChI=1S/C14H15N3O/c1-15-14(18)12-4-2-3-9-10(12)5-6-11(9)13-16-7-8-17-13/h2-4,7-8,11H,5-6H2,1H3,(H,15,18)(H,16,17)
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n/an/an/an/a 2.20E+3n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic alpha-1A receptor expressed in CHO cells assessed as calcium mobilization by FLIPR


Bioorg Med Chem Lett 18: 2930-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.070
BindingDB Entry DOI: 10.7270/Q2VQ33KM
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50377405
PNG
(CHEMBL261304)
Show SMILES Cn1cc(cn1)-c1cccc2C(CCc12)c1ncc[nH]1
Show InChI InChI=1S/C16H16N4/c1-20-10-11(9-19-20)12-3-2-4-13-14(12)5-6-15(13)16-17-7-8-18-16/h2-4,7-10,15H,5-6H2,1H3,(H,17,18)
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n/an/an/an/a>2.90E+3n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic alpha-1A receptor expressed in CHO cells assessed as calcium mobilization by FLIPR


Bioorg Med Chem Lett 18: 2930-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.070
BindingDB Entry DOI: 10.7270/Q2VQ33KM
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50019059
PNG
((+/-)3-Fluoro-4-(1-hydroxy-2-methylamino-ethyl)-be...)
Show SMILES CNCC(O)c1ccc(O)c(O)c1F
Show InChI InChI=1S/C9H12FNO3/c1-11-4-7(13)5-2-3-6(12)9(14)8(5)10/h2-3,7,11-14H,4H2,1H3
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n/an/an/an/a 3.30E+3n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Agonistic potency at alpha-1 adrenergic receptor for the amine-induced increase of phosphatidylinositol breakdown in synaptoneurosomes from guinea pi...


J Med Chem 31: 1972-7 (1988)


Article DOI: 10.1021/jm00118a019
BindingDB Entry DOI: 10.7270/Q2V69K54
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50259487
PNG
(6-(4-chlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]im...)
Show SMILES Clc1ccc(cc1)C1Cc2nccn2C1
Show InChI InChI=1S/C12H11ClN2/c13-11-3-1-9(2-4-11)10-7-12-14-5-6-15(12)8-10/h1-6,10H,7-8H2
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n/an/an/an/a 3.46E+3n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic alpha1A receptor expressed in CHO cells assessed as calcium mobilization by FLIPR


Bioorg Med Chem Lett 19: 3118-21 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.162
BindingDB Entry DOI: 10.7270/Q2R78F42
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50000200
PNG
(CHEMBL117914)
Show SMILES CCN(CC)C(=O)c1ccccc1OCC1=NCCN1
Show InChI InChI=1S/C15H21N3O2/c1-3-18(4-2)15(19)12-7-5-6-8-13(12)20-11-14-16-9-10-17-14/h5-8H,3-4,9-11H2,1-2H3,(H,16,17)
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n/an/an/an/a<5.01E+3n/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Activation of recombinant human adrenergic,alpha-1A receptor expressed in rat-1 fibroblasts determined via calcium mobilization through Gq coupled PL...


Bioorg Med Chem Lett 12: 471-5 (2002)

Checked by Author
Article DOI: 10.1016/s0960-894x(01)00764-8
BindingDB Entry DOI: 10.7270/Q22V2HD6
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50219158
PNG
(CHEMBL320910)
Show SMILES O=C(NC1CCCC1)c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C16H22N4O/c21-16(20-12-5-1-2-6-12)13-7-3-4-8-14(13)19-11-15-17-9-10-18-15/h3-4,7-8,12,19H,1-2,5-6,9-11H2,(H,17,18)(H,20,21)
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n/an/an/an/a<5.01E+3n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist potency against cloned human alpha 1A adrenoceptor expressed in rat-1 fibroblasts.


Bioorg Med Chem Lett 11: 2871-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00569-8
BindingDB Entry DOI: 10.7270/Q2CC1201
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50219162
PNG
(CHEMBL98921)
Show SMILES O=C(OC1CCCCC1)c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C17H23N3O2/c21-17(22-13-6-2-1-3-7-13)14-8-4-5-9-15(14)20-12-16-18-10-11-19-16/h4-5,8-9,13,20H,1-3,6-7,10-12H2,(H,18,19)
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n/an/an/an/a<5.01E+3n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist potency against cloned human alpha 1A adrenoceptor expressed in rat-1 fibroblasts.


Bioorg Med Chem Lett 11: 2871-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00569-8
BindingDB Entry DOI: 10.7270/Q2CC1201
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50219160
PNG
(CHEMBL96988)
Show SMILES O=C(NC1CCC1)c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C15H20N4O/c20-15(19-11-4-3-5-11)12-6-1-2-7-13(12)18-10-14-16-8-9-17-14/h1-2,6-7,11,18H,3-5,8-10H2,(H,16,17)(H,19,20)
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n/an/an/an/a<5.01E+3n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist potency against cloned human alpha 1A adrenoceptor expressed in rat-1 fibroblasts.


Bioorg Med Chem Lett 11: 2871-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00569-8
BindingDB Entry DOI: 10.7270/Q2CC1201
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50026780
PNG
(1,4-Dimethoxy-6,7,8,9-tetrahydro-5H-benzocyclohept...)
Show SMILES COc1ccc(OC)c2CC(N)CCCc12
Show InChI InChI=1S/C13H19NO2/c1-15-12-6-7-13(16-2)11-8-9(14)4-3-5-10(11)12/h6-7,9H,3-5,8,14H2,1-2H3
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n/an/an/an/a 5.30E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Alpha-1 adrenergic receptor agonist activity in rabbit ear artery


J Med Chem 24: 1432-7 (1982)


Article DOI: 10.1021/jm00144a012
BindingDB Entry DOI: 10.7270/Q2XW4KB0
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50118702
PNG
(2-Amino-1-(2,5-dimethoxy-phenyl)-ethanol | CHEMBL1...)
Show SMILES COc1ccc(OC)c(c1)C(O)CN
Show InChI InChI=1S/C10H15NO3/c1-13-7-3-4-10(14-2)8(5-7)9(12)6-11/h3-5,9,12H,6,11H2,1-2H3
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n/an/an/an/a 7.10E+3n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Effective concentration of the compound was determined in vitro against rabbit urethra Alpha-1 adrenergic receptor


J Med Chem 45: 4395-7 (2002)


Article DOI: 10.1021/jm025550h
BindingDB Entry DOI: 10.7270/Q20001FV
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50108088
PNG
(CHEMBL3601305)
Show SMILES CC(C)c1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(C)(=O)=O)c3)ccc12
Show InChI InChI=1S/C21H28N4O4S/c1-14(2)21-18-8-7-17(12-19(18)23-24-21)29-10-9-22-13-20(26)15-5-4-6-16(11-15)25-30(3,27)28/h4-8,11-12,14,20,22,25-26H,9-10,13H2,1-3H3,(H,23,24)/t20-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human alpha1A-adrenergic receptor expressed in HEK293 cells assessed as calcium flux by fluorescence assay


J Med Chem 58: 6048-57 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00638
BindingDB Entry DOI: 10.7270/Q2NG4SDR
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50259484
PNG
(6-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1H-benzo[d]...)
Show SMILES COc1ccc(cc1)C1CCc2nc[nH]c2C1
Show InChI InChI=1S/C14H16N2O/c1-17-12-5-2-10(3-6-12)11-4-7-13-14(8-11)16-9-15-13/h2-3,5-6,9,11H,4,7-8H2,1H3,(H,15,16)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic alpha1A receptor expressed in CHO cells assessed as calcium mobilization by FLIPR


Bioorg Med Chem Lett 19: 3118-21 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.162
BindingDB Entry DOI: 10.7270/Q2R78F42
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50259385
PNG
(6-(4-chlorophenyl)-4,5,6,7-tetrahydro-1H-benzo[d]i...)
Show SMILES Clc1ccc(cc1)C1CCc2nc[nH]c2C1
Show InChI InChI=1S/C13H13ClN2/c14-11-4-1-9(2-5-11)10-3-6-12-13(7-10)16-8-15-12/h1-2,4-5,8,10H,3,6-7H2,(H,15,16)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic alpha1A receptor expressed in CHO cells assessed as calcium mobilization by FLIPR


Bioorg Med Chem Lett 19: 3118-21 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.162
BindingDB Entry DOI: 10.7270/Q2R78F42
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50259381
PNG
(6-phenyl-6,7-di hydro-5H-pyrrolo[1,2-a]imidazole |...)
Show SMILES C1C(Cn2ccnc12)c1ccccc1
Show InChI InChI=1S/C12H12N2/c1-2-4-10(5-3-1)11-8-12-13-6-7-14(12)9-11/h1-7,11H,8-9H2
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n/an/an/an/a>1.00E+4n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic alpha1A receptor expressed in CHO cells assessed as calcium mobilization by FLIPR


Bioorg Med Chem Lett 19: 3118-21 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.162
BindingDB Entry DOI: 10.7270/Q2R78F42
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50108093
PNG
(CHEMBL3601309)
Show SMILES CS(=O)(=O)Nc1cccc(c1)[C@@H](O)CNCCOc1ccc2c(n[nH]c2c1)-c1ccccc1
Show InChI InChI=1S/C24H26N4O4S/c1-33(30,31)28-19-9-5-8-18(14-19)23(29)16-25-12-13-32-20-10-11-21-22(15-20)26-27-24(21)17-6-3-2-4-7-17/h2-11,14-15,23,25,28-29H,12-13,16H2,1H3,(H,26,27)/t23-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human alpha1A-adrenergic receptor expressed in HEK293 cells assessed as calcium flux by fluorescence assay


J Med Chem 58: 6048-57 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00638
BindingDB Entry DOI: 10.7270/Q2NG4SDR
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50108091
PNG
(CHEMBL3601307)
Show SMILES CS(=O)(=O)Nc1cccc(c1)[C@@H](O)CNCCOc1ccc2c(n[nH]c2c1)C1CCC1
Show InChI InChI=1S/C22H28N4O4S/c1-31(28,29)26-17-7-3-6-16(12-17)21(27)14-23-10-11-30-18-8-9-19-20(13-18)24-25-22(19)15-4-2-5-15/h3,6-9,12-13,15,21,23,26-27H,2,4-5,10-11,14H2,1H3,(H,24,25)/t21-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human alpha1A-adrenergic receptor expressed in HEK293 cells assessed as calcium flux by fluorescence assay


J Med Chem 58: 6048-57 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00638
BindingDB Entry DOI: 10.7270/Q2NG4SDR
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50108089
PNG
(CHEMBL3601306)
Show SMILES CC(C)(C)c1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(C)(=O)=O)c3)ccc12
Show InChI InChI=1S/C22H30N4O4S/c1-22(2,3)21-18-9-8-17(13-19(18)24-25-21)30-11-10-23-14-20(27)15-6-5-7-16(12-15)26-31(4,28)29/h5-9,12-13,20,23,26-27H,10-11,14H2,1-4H3,(H,24,25)/t20-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human alpha1A-adrenergic receptor expressed in HEK293 cells assessed as calcium flux by fluorescence assay


J Med Chem 58: 6048-57 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00638
BindingDB Entry DOI: 10.7270/Q2NG4SDR
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50026778
PNG
(2-(2,5-Dimethoxy-phenyl)-ethylamine | 2-(2,5-dimet...)
Show SMILES COc1ccc(OC)c(CCN)c1
Show InChI InChI=1S/C10H15NO2/c1-12-9-3-4-10(13-2)8(7-9)5-6-11/h3-4,7H,5-6,11H2,1-2H3
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n/an/an/an/a 1.10E+4n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Alpha-1 adrenergic receptor agonist activity in rabbit ear artery


J Med Chem 24: 1432-7 (1982)


Article DOI: 10.1021/jm00144a012
BindingDB Entry DOI: 10.7270/Q2XW4KB0
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50026773
PNG
(3,6-Dimethoxy-tricyclo[6.2.2.0*2,7*]dodeca-2,4,6-t...)
Show SMILES COc1ccc(OC)c2C3CCC(C[C@H]3N)c12
Show InChI InChI=1S/C14H19NO2/c1-16-11-5-6-12(17-2)14-9-4-3-8(13(11)14)7-10(9)15/h5-6,8-10H,3-4,7,15H2,1-2H3/t8?,9?,10-/m1/s1
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n/an/an/an/a 3.00E+4n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Alpha-1 adrenergic receptor agonist activity in rabbit ear artery


J Med Chem 24: 1432-7 (1982)


Article DOI: 10.1021/jm00144a012
BindingDB Entry DOI: 10.7270/Q2XW4KB0
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50027852
PNG
(CHEMBL3338677)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O
Show InChI InChI=1S/C88H137N17O18/c1-12-13-14-15-16-17-18-19-20-21-22-23-24-33-71(111)101-72(52(6)7)83(119)104-75(56(11)108)86(122)100-69(45-51(4)5)87(123)105-43-28-32-70(105)82(118)97-65(44-50(2)3)79(115)96-68(48-59-49-93-63-30-26-25-29-62(59)63)78(114)94-53(8)77(113)102-73(54(9)106)84(120)99-67(47-58-36-40-61(110)41-37-58)81(117)103-74(55(10)107)85(121)98-66(46-57-34-38-60(109)39-35-57)80(116)95-64(76(89)112)31-27-42-92-88(90)91/h25-26,29-30,34-41,49-56,64-70,72-75,93,106-110H,12-24,27-28,31-33,42-48H2,1-11H3,(H2,89,112)(H,94,114)(H,95,116)(H,96,115)(H,97,118)(H,98,121)(H,99,120)(H,100,122)(H,101,111)(H,102,113)(H,103,117)(H,104,119)(H4,90,91,92)/t53-,54+,55+,56+,64-,65-,66-,67-,68-,69-,70-,72-,73-,74-,75-/m0/s1
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n/an/an/an/a>3.00E+4n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at alpha-1A adrenergic receptor (unknown origin) expressed in CHOK1 cells after 3 mins by calcium flux/FLIPR assay


Bioorg Med Chem Lett 24: 4871-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.045
BindingDB Entry DOI: 10.7270/Q2D50PH2
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50026782
PNG
(5,8-Dimethoxy-1,2,3,4-tetrahydro-isoquinoline | CH...)
Show SMILES COc1ccc(OC)c2CNCCc12
Show InChI InChI=1S/C11H15NO2/c1-13-10-3-4-11(14-2)9-7-12-6-5-8(9)10/h3-4,12H,5-7H2,1-2H3
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n/an/an/an/a>3.00E+4n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Alpha-1 adrenergic receptor agonist activity in rabbit ear artery


J Med Chem 24: 1432-7 (1982)


Article DOI: 10.1021/jm00144a012
BindingDB Entry DOI: 10.7270/Q2XW4KB0
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM23981
PNG
((2S)-1,2,3,4-Tetrahydro-naphthalen-2-ylamine | 1,2...)
Show SMILES NC1CCc2ccccc2C1
Show InChI InChI=1S/C10H13N/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-4,10H,5-7,11H2
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n/an/an/an/a>3.00E+4n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Alpha-1 adrenergic receptor agonist activity in rabbit ear artery


J Med Chem 24: 1432-7 (1982)


Article DOI: 10.1021/jm00144a012
BindingDB Entry DOI: 10.7270/Q2XW4KB0
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50026775
PNG
(4,7-Dimethoxy-indan-2-ylamine | CHEMBL284307)
Show SMILES COc1ccc(OC)c2CC(N)Cc12
Show InChI InChI=1S/C11H15NO2/c1-13-10-3-4-11(14-2)9-6-7(12)5-8(9)10/h3-4,7H,5-6,12H2,1-2H3
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n/an/an/an/a 3.00E+4n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Alpha-1 adrenergic receptor agonist activity in rabbit ear artery


J Med Chem 24: 1432-7 (1982)


Article DOI: 10.1021/jm00144a012
BindingDB Entry DOI: 10.7270/Q2XW4KB0
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50026781
PNG
(3,6-Dimethoxy-tricyclo[6.2.2.0*2,7*]dodeca-2,4,6-t...)
Show SMILES COc1ccc(OC)c2C3CCC(C[C@@H]3N)c12
Show InChI InChI=1S/C14H19NO2/c1-16-11-5-6-12(17-2)14-9-4-3-8(13(11)14)7-10(9)15/h5-6,8-10H,3-4,7,15H2,1-2H3/t8?,9?,10-/m0/s1
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n/an/an/an/a 3.00E+4n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Alpha-1 adrenergic receptor agonist activity in rabbit ear artery


J Med Chem 24: 1432-7 (1982)


Article DOI: 10.1021/jm00144a012
BindingDB Entry DOI: 10.7270/Q2XW4KB0
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50019060
PNG
((+/-)4-(2-Amino-1-hydroxy-ethyl)-3-fluoro-benzene-...)
Show SMILES NCC(O)c1ccc(O)c(O)c1F
Show InChI InChI=1S/C8H10FNO3/c9-7-4(6(12)3-10)1-2-5(11)8(7)13/h1-2,6,11-13H,3,10H2
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n/an/an/an/a 7.10E+4n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Agonistic potency at alpha-1 adrenergic receptor for the amine-induced increase of phosphatidylinositol breakdown in synaptoneurosomes from guinea pi...


J Med Chem 31: 1972-7 (1988)


Article DOI: 10.1021/jm00118a019
BindingDB Entry DOI: 10.7270/Q2V69K54
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50000196
PNG
(CHEMBL142310)
Show SMILES C(Oc1ccccc1-c1ccncn1)C1=NCCN1
Show InChI InChI=1S/C14H14N4O/c1-2-4-13(19-9-14-16-7-8-17-14)11(3-1)12-5-6-15-10-18-12/h1-6,10H,7-9H2,(H,16,17)
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n/an/an/an/a<1.00E+5n/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Activation of recombinant human adrenergic,alpha-1A receptor expressed in rat-1 fibroblasts determined via calcium mobilization through Gq coupled PL...


Bioorg Med Chem Lett 12: 471-5 (2002)

Checked by Author
Article DOI: 10.1016/s0960-894x(01)00764-8
BindingDB Entry DOI: 10.7270/Q22V2HD6
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50000201
PNG
(CHEMBL141986)
Show SMILES Cc1cccnc1-c1ccccc1OCC1=NCCN1
Show InChI InChI=1S/C16H17N3O/c1-12-5-4-8-19-16(12)13-6-2-3-7-14(13)20-11-15-17-9-10-18-15/h2-8H,9-11H2,1H3,(H,17,18)
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n/an/an/an/a<1.00E+5n/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Activation of recombinant human adrenergic,alpha-1A receptor expressed in rat-1 fibroblasts determined via calcium mobilization through Gq coupled PL...


Bioorg Med Chem Lett 12: 471-5 (2002)

Checked by Author
Article DOI: 10.1016/s0960-894x(01)00764-8
BindingDB Entry DOI: 10.7270/Q22V2HD6
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50421591
PNG
(CHEMBL344294)
Show SMILES Cc1ccnc(c1)-c1ccccc1OCC1=NCCN1
Show InChI InChI=1S/C16H17N3O/c1-12-6-7-17-14(10-12)13-4-2-3-5-15(13)20-11-16-18-8-9-19-16/h2-7,10H,8-9,11H2,1H3,(H,18,19)
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n/an/an/an/a<1.00E+5n/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Activation of recombinant human adrenergic,alpha-1A receptor expressed in rat-1 fibroblasts determined via calcium mobilization through Gq coupled PL...


Bioorg Med Chem Lett 12: 471-5 (2002)

Checked by Author
Article DOI: 10.1016/s0960-894x(01)00764-8
BindingDB Entry DOI: 10.7270/Q22V2HD6
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50222925
PNG
(CHEMBL18303)
Show SMILES CC(C)n1nccc1-c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C16H21N5/c1-12(2)21-15(7-8-20-21)13-5-3-4-6-14(13)19-11-16-17-9-10-18-16/h3-8,12,19H,9-11H2,1-2H3,(H,17,18)
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n/an/an/an/a<1.00E+5n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonism of human alpha-1A adrenergic receptor expressed in rat 1 fibroblast cells


Bioorg Med Chem Lett 13: 1183-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00050-7
BindingDB Entry DOI: 10.7270/Q21V5G8T
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50000209
PNG
(CHEMBL144956)
Show SMILES C(Oc1ccccc1-c1ccncc1)C1=NCCN1
Show InChI InChI=1S/C15H15N3O/c1-2-4-14(19-11-15-17-9-10-18-15)13(3-1)12-5-7-16-8-6-12/h1-8H,9-11H2,(H,17,18)
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n/an/an/an/a<1.00E+5n/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Activation of recombinant human adrenergic,alpha-1A receptor expressed in rat-1 fibroblasts determined via calcium mobilization through Gq coupled PL...


Bioorg Med Chem Lett 12: 471-5 (2002)

Checked by Author
Article DOI: 10.1016/s0960-894x(01)00764-8
BindingDB Entry DOI: 10.7270/Q22V2HD6
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50222909
PNG
(CHEMBL276733)
Show SMILES CCn1cc(cn1)-c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C15H19N5/c1-2-20-11-12(9-19-20)13-5-3-4-6-14(13)18-10-15-16-7-8-17-15/h3-6,9,11,18H,2,7-8,10H2,1H3,(H,16,17)
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n/an/an/an/a<1.00E+5n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonism of human alpha-1A adrenergic receptor expressed in rat 1 fibroblast cells


Bioorg Med Chem Lett 13: 1183-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00050-7
BindingDB Entry DOI: 10.7270/Q21V5G8T
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50218569
PNG
(CHEMBL326837)
Show SMILES CCN(CC)C(=O)c1ccccc1OCc1c[nH]cn1
Show InChI InChI=1S/C15H19N3O2/c1-3-18(4-2)15(19)13-7-5-6-8-14(13)20-10-12-9-16-11-17-12/h5-9,11H,3-4,10H2,1-2H3,(H,16,17)
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n/an/an/an/a<1.00E+5n/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Activation of human alpha-1A adrenergic receptor expressed in rat-1 fibroblasts


Bioorg Med Chem Lett 12: 3449-52 (2002)


Article DOI: 10.1016/s0960-894x(02)00753-9
BindingDB Entry DOI: 10.7270/Q2G44RM1
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50000200
PNG
(CHEMBL117914)
Show SMILES CCN(CC)C(=O)c1ccccc1OCC1=NCCN1
Show InChI InChI=1S/C15H21N3O2/c1-3-18(4-2)15(19)12-7-5-6-8-13(12)20-11-14-16-9-10-17-14/h5-8H,3-4,9-11H2,1-2H3,(H,16,17)
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n/an/an/an/a<1.00E+5n/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Activation of human alpha-1A adrenergic receptor expressed in rat-1 fibroblasts


Bioorg Med Chem Lett 12: 3449-52 (2002)


Article DOI: 10.1016/s0960-894x(02)00753-9
BindingDB Entry DOI: 10.7270/Q2G44RM1
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50019061
PNG
((+/-)4-(2-Amino-1-hydroxy-ethyl)-5-fluoro-benzene-...)
Show SMILES NCC(O)c1cc(O)c(O)cc1F
Show InChI InChI=1S/C8H10FNO3/c9-5-2-7(12)6(11)1-4(5)8(13)3-10/h1-2,8,11-13H,3,10H2
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n/an/an/an/a 1.25E+5n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Agonistic potency at alpha-1 adrenergic receptor for the amine-induced increase of phosphatidylinositol breakdown in synaptoneurosomes from guinea pi...


J Med Chem 31: 1972-7 (1988)


Article DOI: 10.1021/jm00118a019
BindingDB Entry DOI: 10.7270/Q2V69K54
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50022722
PNG
((+)2-Amino-1-phenyl-propan-1-ol | (1R, 2R)-2-Amino...)
Show SMILES CC(N)C(O)c1ccccc1
Show InChI InChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3
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n/an/an/an/a 2.30E+5n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Effective concentration of the compound was determined in vitro against rabbit urethra Alpha-1 adrenergic receptor


J Med Chem 45: 4395-7 (2002)


Article DOI: 10.1021/jm025550h
BindingDB Entry DOI: 10.7270/Q20001FV
More data for this
Ligand-Target Pair
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