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Compile Data Set for Download or QSAR

Found 19 hits of ec50 for UniProtKB: P43140   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50230393
PNG
(CHEMBL553231)
Show SMILES Cl.CC(C1=NCCN1)c1cccc2ccccc12
Show InChI InChI=1S/C15H16N2.ClH/c1-11(15-16-9-10-17-15)13-8-4-6-12-5-2-3-7-14(12)13;/h2-8,11H,9-10H2,1H3,(H,16,17);1H
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n/an/an/an/a 0.000540n/an/an/an/a



Ohio State University

Curated by ChEMBL


Assay Description
Compound was evaluated for Adrenergic activity against Alpha-1 adrenergic receptor from rat aorta


J Med Chem 35: 750-5 (1992)


Article DOI: 10.1021/jm00082a017
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50230392
PNG
(CHEMBL554581)
Show SMILES Cl.CC(c1ncc[nH]1)c1cccc2ccccc12
Show InChI InChI=1S/C15H14N2.ClH/c1-11(15-16-9-10-17-15)13-8-4-6-12-5-2-3-7-14(12)13;/h2-11H,1H3,(H,16,17);1H
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n/an/an/an/a 0.00770n/an/an/an/a



Ohio State University

Curated by ChEMBL


Assay Description
Compound was evaluated for Adrenergic activity against Alpha-1 adrenergic receptor from rat aorta


J Med Chem 35: 750-5 (1992)


Article DOI: 10.1021/jm00082a017
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50001922
PNG
(2-Naphthalen-1-ylmethyl-4,5-dihydro-1H-imidazole; ...)
Show SMILES C(C1=NCCN1)c1cccc2ccccc12
Show InChI InChI=1S/C14H14N2/c1-2-7-13-11(4-1)5-3-6-12(13)10-14-15-8-9-16-14/h1-7H,8-10H2,(H,15,16)
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n/an/an/an/a 12n/an/an/an/a



Ohio State University

Curated by ChEMBL


Assay Description
Compound was evaluated for Adrenergic activity against Alpha-1 adrenergic receptor from rat aorta


J Med Chem 35: 750-5 (1992)


Article DOI: 10.1021/jm00082a017
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50027031
PNG
((2-Chloro-phenyl)-(4,5-dihydro-1H-imidazol-2-ylmet...)
Show SMILES Clc1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C10H12ClN3/c11-8-3-1-2-4-9(8)14-7-10-12-5-6-13-10/h1-4,14H,5-7H2,(H,12,13)
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n/an/an/an/a 50n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity against alpha-1 adrenergic receptor from rat vas deferens


J Med Chem 26: 1769-72 (1984)


Article DOI: 10.1021/jm00366a022
BindingDB Entry DOI: 10.7270/Q2668DRD
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50027035
PNG
(3-[(4,5-Dihydro-1H-imidazol-2-ylmethyl)-amino]-phe...)
Show SMILES Oc1cccc(NCC2=NCCN2)c1
Show InChI InChI=1S/C10H13N3O/c14-9-3-1-2-8(6-9)13-7-10-11-4-5-12-10/h1-3,6,13-14H,4-5,7H2,(H,11,12)
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n/an/an/an/a 61n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against alpha-2 adrenergic receptor from calf cerebral cortex, using [3H]clonidine as the radioligand


J Med Chem 26: 1769-72 (1984)


Article DOI: 10.1021/jm00366a022
BindingDB Entry DOI: 10.7270/Q2668DRD
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50230389
PNG
(CHEMBL541105)
Show SMILES Cl.CC(c1c[nH]cn1)c1cccc2ccccc12
Show InChI InChI=1S/C15H14N2.ClH/c1-11(15-9-16-10-17-15)13-8-4-6-12-5-2-3-7-14(12)13;/h2-11H,1H3,(H,16,17);1H
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n/an/an/an/a 200n/an/an/an/a



Ohio State University

Curated by ChEMBL


Assay Description
Compound was evaluated for Adrenergic activity against Alpha-1 adrenergic receptor from rat aorta


J Med Chem 35: 750-5 (1992)


Article DOI: 10.1021/jm00082a017
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50230388
PNG
(CHEMBL537830)
Show SMILES Cl.C(c1ncc[nH]1)c1cccc2ccccc12
Show InChI InChI=1S/C14H12N2.ClH/c1-2-7-13-11(4-1)5-3-6-12(13)10-14-15-8-9-16-14;/h1-9H,10H2,(H,15,16);1H
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n/an/an/an/a 200n/an/an/an/a



Ohio State University

Curated by ChEMBL


Assay Description
Compound was evaluated for Adrenergic activity against Alpha-1 adrenergic receptor from rat aorta


J Med Chem 35: 750-5 (1992)


Article DOI: 10.1021/jm00082a017
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50027036
PNG
((4,5-Dihydro-1H-imidazol-2-ylmethyl)-methyl-p-toly...)
Show SMILES CN(CC1=NCCN1)c1ccc(C)cc1
Show InChI InChI=1S/C12H17N3/c1-10-3-5-11(6-4-10)15(2)9-12-13-7-8-14-12/h3-6H,7-9H2,1-2H3,(H,13,14)
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n/an/an/an/a 300n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against alpha-2 adrenergic receptor from calf cerebral cortex, using [3H]prazosin as the radioligand


J Med Chem 26: 1769-72 (1984)


Article DOI: 10.1021/jm00366a022
BindingDB Entry DOI: 10.7270/Q2668DRD
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50230390
PNG
(CHEBI:48556 | MEDETOMIDINE HYDROCHLORIDE | MPV-785...)
Show SMILES Cl.CC(c1c[nH]cn1)c1cccc(C)c1C
Show InChI InChI=1S/C13H16N2.ClH/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13;/h4-8,11H,1-3H3,(H,14,15);1H
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n/an/an/an/a 310n/an/an/an/a



Ohio State University

Curated by ChEMBL


Assay Description
Compound was evaluated for Adrenergic activity against Alpha-1 adrenergic receptor from rat aorta


J Med Chem 35: 750-5 (1992)


Article DOI: 10.1021/jm00082a017
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50027032
PNG
((4,5-Dihydro-1H-imidazol-2-ylmethyl)-p-tolyl-amine...)
Show SMILES Cc1ccc(NCC2=NCCN2)cc1
Show InChI InChI=1S/C11H15N3/c1-9-2-4-10(5-3-9)14-8-11-12-6-7-13-11/h2-5,14H,6-8H2,1H3,(H,12,13)
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n/an/an/an/a 340n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity against alpha-1 adrenergic receptor from rat vas deferens


J Med Chem 26: 1769-72 (1984)


Article DOI: 10.1021/jm00366a022
BindingDB Entry DOI: 10.7270/Q2668DRD
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50131411
PNG
(4-(4-Chloro-benzyl)-2-methyl-2H-phthalazin-1-one |...)
Show SMILES Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O
Show InChI InChI=1S/C16H13ClN2O/c1-19-16(20)14-5-3-2-4-13(14)15(18-19)10-11-6-8-12(17)9-7-11/h2-9H,10H2,1H3
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n/an/an/an/a 810n/an/an/an/a



Universidad de Salamanca

Curated by ChEMBL


Assay Description
Vasorelaxation of noradrenaline-stimulated Wistar rat vas deferens contraction


Bioorg Med Chem Lett 16: 2786-90 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.003
BindingDB Entry DOI: 10.7270/Q22R3R8N
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM31046
PNG
(3-[4,5-dihydro-1H-imidazol-2-ylmethyl-(4-methylphe...)
Show SMILES Cc1ccc(cc1)N(CC1=NCCN1)c1cccc(O)c1
Show InChI InChI=1S/C17H19N3O/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15/h2-8,11,21H,9-10,12H2,1H3,(H,18,19)
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n/an/an/an/a>1.00E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity against alpha-1 adrenergic receptor from rat vas deferens


J Med Chem 26: 1769-72 (1984)


Article DOI: 10.1021/jm00366a022
BindingDB Entry DOI: 10.7270/Q2668DRD
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50131423
PNG
(4-Benzyl-2-methyl-2H-phthalazin-1-one | 4-benzyl-2...)
Show SMILES Cn1nc(Cc2ccccc2)c2ccccc2c1=O
Show InChI InChI=1S/C16H14N2O/c1-18-16(19)14-10-6-5-9-13(14)15(17-18)11-12-7-3-2-4-8-12/h2-10H,11H2,1H3
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n/an/an/an/a 1.50E+3n/an/an/an/a



Universidad de Salamanca

Curated by ChEMBL


Assay Description
Vasorelaxation of noradrenaline-stimulated Wistar rat vas deferens contraction


Bioorg Med Chem Lett 16: 2786-90 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.003
BindingDB Entry DOI: 10.7270/Q22R3R8N
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50027037
PNG
((4,5-Dihydro-1H-imidazol-2-ylmethyl)-ethyl-p-tolyl...)
Show SMILES CCN(CC1=NCCN1)c1ccc(C)cc1
Show InChI InChI=1S/C13H19N3/c1-3-16(10-13-14-8-9-15-13)12-6-4-11(2)5-7-12/h4-7H,3,8-10H2,1-2H3,(H,14,15)
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n/an/an/an/a 1.60E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity against alpha-1 adrenergic receptor from rat vas deferens


J Med Chem 26: 1769-72 (1984)


Article DOI: 10.1021/jm00366a022
BindingDB Entry DOI: 10.7270/Q2668DRD
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50131414
PNG
(4-(benzo[d][1,3]dioxol-5-ylmethyl)phthalazin-1(2H)...)
Show SMILES O=c1[nH]nc(Cc2ccc3OCOc3c2)c2ccccc12
Show InChI InChI=1S/C16H12N2O3/c19-16-12-4-2-1-3-11(12)13(17-18-16)7-10-5-6-14-15(8-10)21-9-20-14/h1-6,8H,7,9H2,(H,18,19)
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n/an/an/an/a 3.00E+3n/an/an/an/a



Universidad de Salamanca

Curated by ChEMBL


Assay Description
Vasorelaxation of noradrenaline-stimulated Wistar rat vas deferens contraction


Bioorg Med Chem Lett 16: 2786-90 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.003
BindingDB Entry DOI: 10.7270/Q22R3R8N
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM56339
PNG
(4-(4-chlorobenzyl)-1(2H)-phthalazinone | 4-(4-chlo...)
Show SMILES Clc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1
Show InChI InChI=1S/C15H11ClN2O/c16-11-7-5-10(6-8-11)9-14-12-3-1-2-4-13(12)15(19)18-17-14/h1-8H,9H2,(H,18,19)
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n/an/an/an/a 3.90E+3n/an/an/an/a



Universidad de Salamanca

Curated by ChEMBL


Assay Description
Vasorelaxation of noradrenaline-stimulated Wistar rat vas deferens contraction


Bioorg Med Chem Lett 16: 2786-90 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.003
BindingDB Entry DOI: 10.7270/Q22R3R8N
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50183665
PNG
(4-(4-chlorobenzyl)-2-allylphthalazin-1(2H)-one | C...)
Show SMILES Clc1ccc(Cc2nn(CC=C)c(=O)c3ccccc23)cc1
Show InChI InChI=1S/C18H15ClN2O/c1-2-11-21-18(22)16-6-4-3-5-15(16)17(20-21)12-13-7-9-14(19)10-8-13/h2-10H,1,11-12H2
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n/an/an/an/a 4.40E+3n/an/an/an/a



Universidad de Salamanca

Curated by ChEMBL


Assay Description
Vasorelaxation of noradrenaline-stimulated Wistar rat vas deferens contraction


Bioorg Med Chem Lett 16: 2786-90 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.003
BindingDB Entry DOI: 10.7270/Q22R3R8N
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50027033
PNG
(CHEMBL541208 | Cyclohexyl-(4,5-dihydro-1H-imidazol...)
Show SMILES Cc1ccc(cc1)N(CC1=NCCN1)C1CCCCC1
Show InChI InChI=1S/C17H25N3/c1-14-7-9-16(10-8-14)20(13-17-18-11-12-19-17)15-5-3-2-4-6-15/h7-10,15H,2-6,11-13H2,1H3,(H,18,19)
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n/an/an/an/a>1.00E+4n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity against alpha-1 adrenergic receptor from rat vas deferens


J Med Chem 26: 1769-72 (1984)


Article DOI: 10.1021/jm00366a022
BindingDB Entry DOI: 10.7270/Q2668DRD
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50027034
PNG
((4,5-Dihydro-1H-imidazol-2-ylmethyl)-phenyl-p-toly...)
Show SMILES Cc1ccc(cc1)N(CC1=NCCN1)c1ccccc1
Show InChI InChI=1S/C17H19N3/c1-14-7-9-16(10-8-14)20(13-17-18-11-12-19-17)15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,18,19)
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n/an/an/an/a>1.00E+4n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity against alpha-1 adrenergic receptor from rat vas deferens


J Med Chem 26: 1769-72 (1984)


Article DOI: 10.1021/jm00366a022
BindingDB Entry DOI: 10.7270/Q2668DRD
More data for this
Ligand-Target Pair