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Compile Data Set for Download or QSAR

Found 21 hits Enz. Inhib. hit(s) with Target = 'Alpha-1A adrenergic receptor' and Ligand = 'BDBM30712'   
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-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM30712
PNG
(6-tert-butyl-3-(2-imidazolin-2-ylmethyl)-2,4-dimet...)
Show SMILES Cc1cc(c(O)c(C)c1CC1=NCCN1)C(C)(C)C |t:11|
Show InChI InChI=1S/C16H24N2O/c1-10-8-13(16(3,4)5)15(19)11(2)12(10)9-14-17-6-7-18-14/h8,19H,6-7,9H2,1-5H3,(H,17,18)
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1.90n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Mol Pharmacol 13: 454-73 (1977)


BindingDB Entry DOI: 10.7270/Q2TT4PFZ
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM30712
PNG
(6-tert-butyl-3-(2-imidazolin-2-ylmethyl)-2,4-dimet...)
Show SMILES Cc1cc(c(O)c(C)c1CC1=NCCN1)C(C)(C)C |t:11|
Show InChI InChI=1S/C16H24N2O/c1-10-8-13(16(3,4)5)15(19)11(2)12(10)9-14-17-6-7-18-14/h8,19H,6-7,9H2,1-5H3,(H,17,18)
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6.5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1A adrenergic receptor in rat submaxillary glands


J Med Chem 39: 4116-9 (1996)


Article DOI: 10.1021/jm960354u
BindingDB Entry DOI: 10.7270/Q2FN18WJ
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Dog)
BDBM30712
PNG
(6-tert-butyl-3-(2-imidazolin-2-ylmethyl)-2,4-dimet...)
Show SMILES Cc1cc(c(O)c(C)c1CC1=NCCN1)C(C)(C)C |t:11|
Show InChI InChI=1S/C16H24N2O/c1-10-8-13(16(3,4)5)15(19)11(2)12(10)9-14-17-6-7-18-14/h8,19H,6-7,9H2,1-5H3,(H,17,18)
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9n/an/an/an/an/an/an/an/a



UnWersity of Misscuri

Curated by PDSP Ki Database




J Pharmacol Exp Ther 241: 875-81 (1987)


BindingDB Entry DOI: 10.7270/Q29885JF
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(CALF)
BDBM30712
PNG
(6-tert-butyl-3-(2-imidazolin-2-ylmethyl)-2,4-dimet...)
Show SMILES Cc1cc(c(O)c(C)c1CC1=NCCN1)C(C)(C)C |t:11|
Show InChI InChI=1S/C16H24N2O/c1-10-8-13(16(3,4)5)15(19)11(2)12(10)9-14-17-6-7-18-14/h8,19H,6-7,9H2,1-5H3,(H,17,18)
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13n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards bovine clonal Alpha-1A adrenergic receptor


J Med Chem 39: 4116-9 (1996)


Article DOI: 10.1021/jm960354u
BindingDB Entry DOI: 10.7270/Q2FN18WJ
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM30712
PNG
(6-tert-butyl-3-(2-imidazolin-2-ylmethyl)-2,4-dimet...)
Show SMILES Cc1cc(c(O)c(C)c1CC1=NCCN1)C(C)(C)C |t:11|
Show InChI InChI=1S/C16H24N2O/c1-10-8-13(16(3,4)5)15(19)11(2)12(10)9-14-17-6-7-18-14/h8,19H,6-7,9H2,1-5H3,(H,17,18)
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15.8n/an/an/an/an/an/an/an/a



Duke University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 272: 134-42 (1995)


BindingDB Entry DOI: 10.7270/Q2ZC81CG
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM30712
PNG
(6-tert-butyl-3-(2-imidazolin-2-ylmethyl)-2,4-dimet...)
Show SMILES Cc1cc(c(O)c(C)c1CC1=NCCN1)C(C)(C)C |t:11|
Show InChI InChI=1S/C16H24N2O/c1-10-8-13(16(3,4)5)15(19)11(2)12(10)9-14-17-6-7-18-14/h8,19H,6-7,9H2,1-5H3,(H,17,18)
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16n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research Laboratories

Curated by ChEMBL


Assay Description
Affinity to Alpha-1 adrenergic receptor determined by radioligand binding techniques from rat-1 fibroblasts membranes


J Med Chem 45: 2229-39 (2002)


Article DOI: 10.1021/jm000542r
BindingDB Entry DOI: 10.7270/Q2NG4TCQ
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(PIG)
BDBM30712
PNG
(6-tert-butyl-3-(2-imidazolin-2-ylmethyl)-2,4-dimet...)
Show SMILES Cc1cc(c(O)c(C)c1CC1=NCCN1)C(C)(C)C |t:11|
Show InChI InChI=1S/C16H24N2O/c1-10-8-13(16(3,4)5)15(19)11(2)12(10)9-14-17-6-7-18-14/h8,19H,6-7,9H2,1-5H3,(H,17,18)
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19.9n/an/an/an/an/an/an/an/a



Uppsala University

Curated by PDSP Ki Database




Eur J Pharmacol 347: 301-9 (1998)


Article DOI: 10.1016/s0014-2999(98)00104-6
BindingDB Entry DOI: 10.7270/Q2GT5KQK
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM30712
PNG
(6-tert-butyl-3-(2-imidazolin-2-ylmethyl)-2,4-dimet...)
Show SMILES Cc1cc(c(O)c(C)c1CC1=NCCN1)C(C)(C)C |t:11|
Show InChI InChI=1S/C16H24N2O/c1-10-8-13(16(3,4)5)15(19)11(2)12(10)9-14-17-6-7-18-14/h8,19H,6-7,9H2,1-5H3,(H,17,18)
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24n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Mol Pharmacol 13: 454-73 (1977)


BindingDB Entry DOI: 10.7270/Q2TT4PFZ
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM30712
PNG
(6-tert-butyl-3-(2-imidazolin-2-ylmethyl)-2,4-dimet...)
Show SMILES Cc1cc(c(O)c(C)c1CC1=NCCN1)C(C)(C)C |t:11|
Show InChI InChI=1S/C16H24N2O/c1-10-8-13(16(3,4)5)15(19)11(2)12(10)9-14-17-6-7-18-14/h8,19H,6-7,9H2,1-5H3,(H,17,18)
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28n/an/an/an/an/an/an/an/a



National Children's Medical Research Center, Tokyo

Curated by PDSP Ki Database




Biochem Biophys Res Commun 195: 902-9 (1993)


Article DOI: 10.1006/bbrc.1993.2130
BindingDB Entry DOI: 10.7270/Q2FQ9V30
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(PIG)
BDBM30712
PNG
(6-tert-butyl-3-(2-imidazolin-2-ylmethyl)-2,4-dimet...)
Show SMILES Cc1cc(c(O)c(C)c1CC1=NCCN1)C(C)(C)C |t:11|
Show InChI InChI=1S/C16H24N2O/c1-10-8-13(16(3,4)5)15(19)11(2)12(10)9-14-17-6-7-18-14/h8,19H,6-7,9H2,1-5H3,(H,17,18)
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31.6n/an/an/an/an/an/an/an/a



Uppsala University

Curated by PDSP Ki Database




Eur J Pharmacol 347: 301-9 (1998)


Article DOI: 10.1016/s0014-2999(98)00104-6
BindingDB Entry DOI: 10.7270/Q2GT5KQK
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Dog)
BDBM30712
PNG
(6-tert-butyl-3-(2-imidazolin-2-ylmethyl)-2,4-dimet...)
Show SMILES Cc1cc(c(O)c(C)c1CC1=NCCN1)C(C)(C)C |t:11|
Show InChI InChI=1S/C16H24N2O/c1-10-8-13(16(3,4)5)15(19)11(2)12(10)9-14-17-6-7-18-14/h8,19H,6-7,9H2,1-5H3,(H,17,18)
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33n/an/an/an/an/an/an/an/a



UnWersity of Misscuri

Curated by PDSP Ki Database




J Pharmacol Exp Ther 241: 875-81 (1987)


BindingDB Entry DOI: 10.7270/Q29885JF
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(CALF)
BDBM30712
PNG
(6-tert-butyl-3-(2-imidazolin-2-ylmethyl)-2,4-dimet...)
Show SMILES Cc1cc(c(O)c(C)c1CC1=NCCN1)C(C)(C)C |t:11|
Show InChI InChI=1S/C16H24N2O/c1-10-8-13(16(3,4)5)15(19)11(2)12(10)9-14-17-6-7-18-14/h8,19H,6-7,9H2,1-5H3,(H,17,18)
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114n/an/an/an/an/an/an/an/a



Duke University

Curated by PDSP Ki Database




J Biol Chem 266: 6365-9 (1991)


BindingDB Entry DOI: 10.7270/Q2X928SG
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM30712
PNG
(6-tert-butyl-3-(2-imidazolin-2-ylmethyl)-2,4-dimet...)
Show SMILES Cc1cc(c(O)c(C)c1CC1=NCCN1)C(C)(C)C |t:11|
Show InChI InChI=1S/C16H24N2O/c1-10-8-13(16(3,4)5)15(19)11(2)12(10)9-14-17-6-7-18-14/h8,19H,6-7,9H2,1-5H3,(H,17,18)
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398n/an/an/an/an/an/an/an/a



Duke University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 272: 134-42 (1995)


BindingDB Entry DOI: 10.7270/Q2ZC81CG
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM30712
PNG
(6-tert-butyl-3-(2-imidazolin-2-ylmethyl)-2,4-dimet...)
Show SMILES Cc1cc(c(O)c(C)c1CC1=NCCN1)C(C)(C)C |t:11|
Show InChI InChI=1S/C16H24N2O/c1-10-8-13(16(3,4)5)15(19)11(2)12(10)9-14-17-6-7-18-14/h8,19H,6-7,9H2,1-5H3,(H,17,18)
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794n/an/an/an/an/an/an/an/a



Duke University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 272: 134-42 (1995)


BindingDB Entry DOI: 10.7270/Q2ZC81CG
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM30712
PNG
(6-tert-butyl-3-(2-imidazolin-2-ylmethyl)-2,4-dimet...)
Show SMILES Cc1cc(c(O)c(C)c1CC1=NCCN1)C(C)(C)C |t:11|
Show InChI InChI=1S/C16H24N2O/c1-10-8-13(16(3,4)5)15(19)11(2)12(10)9-14-17-6-7-18-14/h8,19H,6-7,9H2,1-5H3,(H,17,18)
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794n/an/an/an/an/an/an/an/a



Duke University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 272: 134-42 (1995)


BindingDB Entry DOI: 10.7270/Q2ZC81CG
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM30712
PNG
(6-tert-butyl-3-(2-imidazolin-2-ylmethyl)-2,4-dimet...)
Show SMILES Cc1cc(c(O)c(C)c1CC1=NCCN1)C(C)(C)C |t:11|
Show InChI InChI=1S/C16H24N2O/c1-10-8-13(16(3,4)5)15(19)11(2)12(10)9-14-17-6-7-18-14/h8,19H,6-7,9H2,1-5H3,(H,17,18)
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2.14E+3n/an/an/an/an/an/an/an/a



Duke University

Curated by PDSP Ki Database




J Biol Chem 266: 6365-9 (1991)


BindingDB Entry DOI: 10.7270/Q2X928SG
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM30712
PNG
(6-tert-butyl-3-(2-imidazolin-2-ylmethyl)-2,4-dimet...)
Show SMILES Cc1cc(c(O)c(C)c1CC1=NCCN1)C(C)(C)C |t:11|
Show InChI InChI=1S/C16H24N2O/c1-10-8-13(16(3,4)5)15(19)11(2)12(10)9-14-17-6-7-18-14/h8,19H,6-7,9H2,1-5H3,(H,17,18)
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n/an/an/an/a 288n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro agonist potency towards Alpha-1A adrenergic receptor in rat vas deferens


J Med Chem 39: 4116-9 (1996)


Article DOI: 10.1021/jm960354u
BindingDB Entry DOI: 10.7270/Q2FN18WJ
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM30712
PNG
(6-tert-butyl-3-(2-imidazolin-2-ylmethyl)-2,4-dimet...)
Show SMILES Cc1cc(c(O)c(C)c1CC1=NCCN1)C(C)(C)C |t:11|
Show InChI InChI=1S/C16H24N2O/c1-10-8-13(16(3,4)5)15(19)11(2)12(10)9-14-17-6-7-18-14/h8,19H,6-7,9H2,1-5H3,(H,17,18)
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n/an/an/an/a 347n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro agonist potency towards Alpha-1A adrenergic receptor in canine prostate


J Med Chem 39: 4116-9 (1996)


Article DOI: 10.1021/jm960354u
BindingDB Entry DOI: 10.7270/Q2FN18WJ
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM30712
PNG
(6-tert-butyl-3-(2-imidazolin-2-ylmethyl)-2,4-dimet...)
Show SMILES Cc1cc(c(O)c(C)c1CC1=NCCN1)C(C)(C)C |t:11|
Show InChI InChI=1S/C16H24N2O/c1-10-8-13(16(3,4)5)15(19)11(2)12(10)9-14-17-6-7-18-14/h8,19H,6-7,9H2,1-5H3,(H,17,18)
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n/an/an/an/a 20n/an/an/an/a



GlaxoSmithKline Research Laboratories

Curated by ChEMBL


Assay Description
Agonist potency at Alpha-1 adrenergic receptor assayed in rat-1 fibroblasts expressing human Alpha-1 adrenergic receptor


J Med Chem 45: 2229-39 (2002)


Article DOI: 10.1021/jm000542r
BindingDB Entry DOI: 10.7270/Q2NG4TCQ
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM30712
PNG
(6-tert-butyl-3-(2-imidazolin-2-ylmethyl)-2,4-dimet...)
Show SMILES Cc1cc(c(O)c(C)c1CC1=NCCN1)C(C)(C)C |t:11|
Show InChI InChI=1S/C16H24N2O/c1-10-8-13(16(3,4)5)15(19)11(2)12(10)9-14-17-6-7-18-14/h8,19H,6-7,9H2,1-5H3,(H,17,18)
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n/an/an/an/a 20n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
In vitro activation of human alpha-1A receptor expressed in rat-1 fibroblasts via calcium mobilization through the Gq coupled PLC pathway as function...


Bioorg Med Chem Lett 12: 575-9 (2002)


BindingDB Entry DOI: 10.7270/Q2Z320ZN
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM30712
PNG
(6-tert-butyl-3-(2-imidazolin-2-ylmethyl)-2,4-dimet...)
Show SMILES Cc1cc(c(O)c(C)c1CC1=NCCN1)C(C)(C)C |t:11|
Show InChI InChI=1S/C16H24N2O/c1-10-8-13(16(3,4)5)15(19)11(2)12(10)9-14-17-6-7-18-14/h8,19H,6-7,9H2,1-5H3,(H,17,18)
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n/an/an/an/a 20n/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)


BindingDB Entry DOI: 10.7270/Q2CC1201
More data for this
Ligand-Target Pair