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Compile Data Set for Download or QSAR

Found 112 hits Enz. Inhib. hit(s) with all data for entry = 50038509   
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-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50377386
PNG
(CHEMBL406348)
Show SMILES Cn1nccc1-c1cccc2C(CCc12)c1ncc[nH]1
Show InChI InChI=1S/C16H16N4/c1-20-15(7-8-19-20)13-4-2-3-11-12(13)5-6-14(11)16-17-9-10-18-16/h2-4,7-10,14H,5-6H2,1H3,(H,17,18)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic alpha-2A receptor expressed in CHOK1 cells by beta-lactamase reporter gene assay


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-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50377387
PNG
(CHEMBL260720)
Show SMILES Cc1[nH]ncc1-c1cccc2C(CCc12)c1ncc[nH]1
Show InChI InChI=1S/C16H16N4/c1-10-15(9-19-20-10)12-4-2-3-11-13(12)5-6-14(11)16-17-7-8-18-16/h2-4,7-9,14H,5-6H2,1H3,(H,17,18)(H,19,20)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic alpha-2A receptor expressed in CHOK1 cells by beta-lactamase reporter gene assay


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-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50377388
PNG
(CHEMBL406316)
Show SMILES C1Cc2c(cccc2-c2cn[nH]c2)C1c1ncc[nH]1
Show InChI InChI=1S/C15H14N4/c1-2-11(10-8-18-19-9-10)13-4-5-14(12(13)3-1)15-16-6-7-17-15/h1-3,6-9,14H,4-5H2,(H,16,17)(H,18,19)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic alpha-2A receptor expressed in CHOK1 cells by beta-lactamase reporter gene assay


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-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50377389
PNG
(CHEMBL256983)
Show SMILES C1Cc2c(cccc2-c2cc[nH]n2)C1c1ncc[nH]1
Show InChI InChI=1S/C15H14N4/c1-2-10-11(12(3-1)14-6-7-18-19-14)4-5-13(10)15-16-8-9-17-15/h1-3,6-9,13H,4-5H2,(H,16,17)(H,18,19)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic alpha-2A receptor expressed in CHOK1 cells by beta-lactamase reporter gene assay


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-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50238839
PNG
(CHEMBL256982 | N-(2-chloro-5-(1H-imidazol-2-yl)-5,...)
Show SMILES CS(=O)(=O)Nc1c(Cl)ccc2C(CCCc12)c1ncc[nH]1
Show InChI InChI=1S/C14H16ClN3O2S/c1-21(19,20)18-13-10-3-2-4-11(14-16-7-8-17-14)9(10)5-6-12(13)15/h5-8,11,18H,2-4H2,1H3,(H,16,17)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic alpha-2A receptor expressed in CHOK1 cells by beta-lactamase reporter gene assay


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-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50377390
PNG
(CHEMBL256984)
Show SMILES COc1c2CCC(c3ncc[nH]3)c2ccc1C
Show InChI InChI=1S/C14H16N2O/c1-9-3-4-10-11(13(9)17-2)5-6-12(10)14-15-7-8-16-14/h3-4,7-8,12H,5-6H2,1-2H3,(H,15,16)
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n/an/an/an/a 327n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic alpha-2A receptor expressed in CHOK1 cells by beta-lactamase reporter gene assay


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-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50377391
PNG
(CHEMBL402388)
Show SMILES COc1cccc2C(CCc12)c1ncc[nH]1
Show InChI InChI=1S/C13H14N2O/c1-16-12-4-2-3-9-10(12)5-6-11(9)13-14-7-8-15-13/h2-4,7-8,11H,5-6H2,1H3,(H,14,15)
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n/an/an/an/a 27n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic alpha-2A receptor expressed in CHOK1 cells by beta-lactamase reporter gene assay


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-2A 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 4.34E+3n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic alpha-2A receptor expressed in CHOK1 cells by beta-lactamase reporter gene assay


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-2A 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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Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic alpha-2A receptor expressed in CHOK1 cells by beta-lactamase reporter gene assay


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-2A 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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Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic alpha-2A receptor expressed in CHOK1 cells by beta-lactamase reporter gene assay


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-2A 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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Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic alpha-2A receptor expressed in CHOK1 cells by beta-lactamase reporter gene assay


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-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50377394
PNG
(CHEMBL404566)
Show SMILES CCS(=O)(=O)Nc1cccc2C(CCc12)c1ncc[nH]1
Show InChI InChI=1S/C14H17N3O2S/c1-2-20(18,19)17-13-5-3-4-10-11(13)6-7-12(10)14-15-8-9-16-14/h3-5,8-9,12,17H,2,6-7H2,1H3,(H,15,16)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic alpha-2A receptor expressed in CHOK1 cells by beta-lactamase reporter gene assay


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-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50377395
PNG
(CHEMBL257800)
Show SMILES CS(=O)(=O)Nc1cccc2C(CCc12)c1ncc[nH]1
Show InChI InChI=1S/C13H15N3O2S/c1-19(17,18)16-12-4-2-3-9-10(12)5-6-11(9)13-14-7-8-15-13/h2-4,7-8,11,16H,5-6H2,1H3,(H,14,15)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic alpha-2A receptor expressed in CHOK1 cells by beta-lactamase reporter gene assay


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-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50377396
PNG
(CHEMBL258007)
Show SMILES C1CC(c2ncc[nH]2)c2ccccc2C1
Show InChI InChI=1S/C13H14N2/c1-2-6-11-10(4-1)5-3-7-12(11)13-14-8-9-15-13/h1-2,4,6,8-9,12H,3,5,7H2,(H,14,15)
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n/an/an/an/a 722n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic alpha-2A receptor expressed in CHOK1 cells by beta-lactamase reporter gene assay


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-1D adrenergic receptor


(HUMAN)
BDBM50377397
PNG
(CHEMBL402003)
Show SMILES Clc1ccc2C(CCc2c1-c1cc[nH]n1)c1ncc[nH]1
Show InChI InChI=1S/C15H13ClN4/c16-12-4-3-9-10(14(12)13-5-6-19-20-13)1-2-11(9)15-17-7-8-18-15/h3-8,11H,1-2H2,(H,17,18)(H,19,20)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic Alpha-1D 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))
BDBM50238834
PNG
(2-(5-chloro-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-ind...)
Show SMILES Clc1ccc2C(CCc2c1-c1cn[nH]c1)c1ncc[nH]1
Show InChI InChI=1S/C15H13ClN4/c16-13-4-3-10-11(14(13)9-7-19-20-8-9)1-2-12(10)15-17-5-6-18-15/h3-8,12H,1-2H2,(H,17,18)(H,19,20)
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n/an/an/an/a 78n/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-1D adrenergic receptor


(HUMAN)
BDBM50238834
PNG
(2-(5-chloro-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-ind...)
Show SMILES Clc1ccc2C(CCc2c1-c1cn[nH]c1)c1ncc[nH]1
Show InChI InChI=1S/C15H13ClN4/c16-13-4-3-10-11(14(13)9-7-19-20-8-9)1-2-12(10)15-17-5-6-18-15/h3-8,12H,1-2H2,(H,17,18)(H,19,20)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic Alpha-1D 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-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50238834
PNG
(2-(5-chloro-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-ind...)
Show SMILES Clc1ccc2C(CCc2c1-c1cn[nH]c1)c1ncc[nH]1
Show InChI InChI=1S/C15H13ClN4/c16-13-4-3-10-11(14(13)9-7-19-20-8-9)1-2-12(10)15-17-5-6-18-15/h3-8,12H,1-2H2,(H,17,18)(H,19,20)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic alpha-2A receptor expressed in CHOK1 cells by beta-lactamase reporter gene assay


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))
BDBM50377398
PNG
(CHEMBL257978 | Ro-115-1240)
Show SMILES Cc1c(OCC2=NCCN2)ccc(Cl)c1NS(C)(=O)=O
Show InChI InChI=1S/C12H16ClN3O3S/c1-8-10(19-7-11-14-5-6-15-11)4-3-9(13)12(8)16-20(2,17)18/h3-4,16H,5-7H2,1-2H3,(H,14,15)
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n/an/an/an/a 25n/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))
BDBM50377399
PNG
(CHEMBL260009)
Show SMILES Cc1oncc1-c1cccc2C(CCc12)c1ncc[nH]1
Show InChI InChI=1S/C16H15N3O/c1-10-15(9-19-20-10)12-4-2-3-11-13(12)5-6-14(11)16-17-7-8-18-16/h2-4,7-9,14H,5-6H2,1H3,(H,17,18)
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n/an/an/an/a 111n/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))
BDBM50377400
PNG
(CHEMBL260116)
Show SMILES C1Cc2c(cccc2-c2nccs2)C1c1ncc[nH]1
Show InChI InChI=1S/C15H13N3S/c1-2-10-11(13(3-1)15-18-8-9-19-15)4-5-12(10)14-16-6-7-17-14/h1-3,6-9,12H,4-5H2,(H,16,17)
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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))
BDBM50377401
PNG
(CHEMBL407308)
Show SMILES C1Cc2c(cccc2-c2ncco2)C1c1ncc[nH]1
Show InChI InChI=1S/C15H13N3O/c1-2-10-11(13(3-1)15-18-8-9-19-15)4-5-12(10)14-16-6-7-17-14/h1-3,6-9,12H,4-5H2,(H,16,17)
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n/an/an/an/a 170n/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))
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))
BDBM50377403
PNG
(CHEMBL260575)
Show SMILES C1Cc2c(cccc2-c2ccccn2)C1c1ncc[nH]1
Show InChI InChI=1S/C17H15N3/c1-2-9-18-16(6-1)14-5-3-4-12-13(14)7-8-15(12)17-19-10-11-20-17/h1-6,9-11,15H,7-8H2,(H,19,20)
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n/an/an/an/a 1.15E+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))
BDBM50377404
PNG
(CHEMBL260789)
Show SMILES Cn1ccc(n1)-c1cccc2C(CCc12)c1ncc[nH]1
Show InChI InChI=1S/C16H16N4/c1-20-10-7-15(19-20)13-4-2-3-11-12(13)5-6-14(11)16-17-8-9-18-16/h2-4,7-10,14H,5-6H2,1H3,(H,17,18)
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n/an/an/an/a>1.30E+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))
BDBM50377386
PNG
(CHEMBL406348)
Show SMILES Cn1nccc1-c1cccc2C(CCc12)c1ncc[nH]1
Show InChI InChI=1S/C16H16N4/c1-20-15(7-8-19-20)13-4-2-3-11-12(13)5-6-14(11)16-17-9-10-18-16/h2-4,7-10,14H,5-6H2,1H3,(H,17,18)
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n/an/an/an/a 278n/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))
BDBM50377387
PNG
(CHEMBL260720)
Show SMILES Cc1[nH]ncc1-c1cccc2C(CCc12)c1ncc[nH]1
Show InChI InChI=1S/C16H16N4/c1-10-15(9-19-20-10)12-4-2-3-11-13(12)5-6-14(11)16-17-7-8-18-16/h2-4,7-9,14H,5-6H2,1H3,(H,17,18)(H,19,20)
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n/an/an/an/a 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))
BDBM50377388
PNG
(CHEMBL406316)
Show SMILES C1Cc2c(cccc2-c2cn[nH]c2)C1c1ncc[nH]1
Show InChI InChI=1S/C15H14N4/c1-2-11(10-8-18-19-9-10)13-4-5-14(12(13)3-1)15-16-6-7-17-15/h1-3,6-9,14H,4-5H2,(H,16,17)(H,18,19)
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n/an/an/an/a 14n/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))
BDBM50377389
PNG
(CHEMBL256983)
Show SMILES C1Cc2c(cccc2-c2cc[nH]n2)C1c1ncc[nH]1
Show InChI InChI=1S/C15H14N4/c1-2-10-11(12(3-1)14-6-7-18-19-14)4-5-13(10)15-16-8-9-17-15/h1-3,6-9,13H,4-5H2,(H,16,17)(H,18,19)
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n/an/an/an/a 52n/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))
BDBM50238839
PNG
(CHEMBL256982 | N-(2-chloro-5-(1H-imidazol-2-yl)-5,...)
Show SMILES CS(=O)(=O)Nc1c(Cl)ccc2C(CCCc12)c1ncc[nH]1
Show InChI InChI=1S/C14H16ClN3O2S/c1-21(19,20)18-13-10-3-2-4-11(14-16-7-8-17-14)9(10)5-6-12(13)15/h5-8,11,18H,2-4H2,1H3,(H,16,17)
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n/an/an/an/a 43n/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))
BDBM50377406
PNG
(CHEMBL255938)
Show SMILES Cc1ccc2C(CCc2c1NS(C)(=O)=O)c1ncc[nH]1
Show InChI InChI=1S/C14H17N3O2S/c1-9-3-4-10-11(13(9)17-20(2,18)19)5-6-12(10)14-15-7-8-16-14/h3-4,7-8,12,17H,5-6H2,1-2H3,(H,15,16)
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n/an/an/an/a 33n/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))
BDBM50377390
PNG
(CHEMBL256984)
Show SMILES COc1c2CCC(c3ncc[nH]3)c2ccc1C
Show InChI InChI=1S/C14H16N2O/c1-9-3-4-10-11(13(9)17-2)5-6-12(10)14-15-7-8-16-14/h3-4,7-8,12H,5-6H2,1-2H3,(H,15,16)
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n/an/an/an/a 167n/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))
BDBM50377391
PNG
(CHEMBL402388)
Show SMILES COc1cccc2C(CCc12)c1ncc[nH]1
Show InChI InChI=1S/C13H14N2O/c1-16-12-4-2-3-9-10(12)5-6-11(9)13-14-7-8-15-13/h2-4,7-8,11H,5-6H2,1H3,(H,14,15)
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n/an/an/an/a 32n/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))
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 142n/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 234n/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))
BDBM50377394
PNG
(CHEMBL404566)
Show SMILES CCS(=O)(=O)Nc1cccc2C(CCc12)c1ncc[nH]1
Show InChI InChI=1S/C14H17N3O2S/c1-2-20(18,19)17-13-5-3-4-10-11(13)6-7-12(10)14-15-8-9-16-14/h3-5,8-9,12,17H,2,6-7H2,1H3,(H,15,16)
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n/an/an/an/a 32n/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))
BDBM50377395
PNG
(CHEMBL257800)
Show SMILES CS(=O)(=O)Nc1cccc2C(CCc12)c1ncc[nH]1
Show InChI InChI=1S/C13H15N3O2S/c1-19(17,18)16-12-4-2-3-9-10(12)5-6-11(9)13-14-7-8-15-13/h2-4,7-8,11,16H,5-6H2,1H3,(H,14,15)
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n/an/an/an/a 70n/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))
BDBM50377396
PNG
(CHEMBL258007)
Show SMILES C1CC(c2ncc[nH]2)c2ccccc2C1
Show InChI InChI=1S/C13H14N2/c1-2-6-11-10(4-1)5-3-7-12(11)13-14-8-9-15-13/h1-2,4,6,8-9,12H,3,5,7H2,(H,14,15)
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n/an/an/an/a 385n/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))
BDBM50118705
PNG
(ABT-866 | CHEMBL326702 | Ethanesulfonic acid [3-(1...)
Show SMILES CCS(=O)(=O)Nc1cccc(Cc2cnc[nH]2)c1
Show InChI InChI=1S/C12H15N3O2S/c1-2-18(16,17)15-11-5-3-4-10(6-11)7-12-8-13-9-14-12/h3-6,8-9,15H,2,7H2,1H3,(H,13,14)
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n/an/an/an/a 9n/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-1D adrenergic receptor


(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>1.00E+4n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic Alpha-1D 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-1D adrenergic receptor


(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>1.00E+4n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic Alpha-1D 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-1D adrenergic receptor


(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>1.00E+4n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic Alpha-1D 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-1D adrenergic receptor


(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>1.00E+4n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic Alpha-1D 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-1D adrenergic receptor


(HUMAN)
BDBM50377407
PNG
(CHEMBL257801)
Show SMILES CCCS(=O)(=O)Nc1cccc2C(CCc12)c1ncc[nH]1
Show InChI InChI=1S/C15H19N3O2S/c1-2-10-21(19,20)18-14-5-3-4-11-12(14)6-7-13(11)15-16-8-9-17-15/h3-5,8-9,13,18H,2,6-7,10H2,1H3,(H,16,17)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic Alpha-1D 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-1D adrenergic receptor


(HUMAN)
BDBM50377394
PNG
(CHEMBL404566)
Show SMILES CCS(=O)(=O)Nc1cccc2C(CCc12)c1ncc[nH]1
Show InChI InChI=1S/C14H17N3O2S/c1-2-20(18,19)17-13-5-3-4-10-11(13)6-7-12(10)14-15-8-9-16-14/h3-5,8-9,12,17H,2,6-7H2,1H3,(H,15,16)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic Alpha-1D 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-1D adrenergic receptor


(HUMAN)
BDBM50377395
PNG
(CHEMBL257800)
Show SMILES CS(=O)(=O)Nc1cccc2C(CCc12)c1ncc[nH]1
Show InChI InChI=1S/C13H15N3O2S/c1-19(17,18)16-12-4-2-3-9-10(12)5-6-11(9)13-14-7-8-15-13/h2-4,7-8,11,16H,5-6H2,1H3,(H,14,15)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic Alpha-1D 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-1D adrenergic receptor


(HUMAN)
BDBM50377396
PNG
(CHEMBL258007)
Show SMILES C1CC(c2ncc[nH]2)c2ccccc2C1
Show InChI InChI=1S/C13H14N2/c1-2-6-11-10(4-1)5-3-7-12(11)13-14-8-9-15-13/h1-2,4,6,8-9,12H,3,5,7H2,(H,14,15)
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n/an/an/an/a 364n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic Alpha-1D 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-1D adrenergic receptor


(HUMAN)
BDBM50238822
PNG
(2-(2,3-dihydro-1H-inden-1-yl)-1H-imidazole | CHEMB...)
Show SMILES C1Cc2ccccc2C1c1ncc[nH]1
Show InChI InChI=1S/C12H12N2/c1-2-4-10-9(3-1)5-6-11(10)12-13-7-8-14-12/h1-4,7-8,11H,5-6H2,(H,13,14)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic Alpha-1D 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
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