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PubMed code 16513345

Compile data set for download or QSAR
Found 45 hits of Enzyme Inhibition Constant Data   
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


(Rattus norvegicus (Rat))
BDBM50183664
PNG
(4-(4-(methylthio)benzyl)-2-allylphthalazin-1(2H)-o...)
Show SMILES CSc1ccc(Cc2nn(CC=C)c(=O)c3ccccc23)cc1
Show InChI InChI=1S/C19H18N2OS/c1-3-12-21-19(22)17-7-5-4-6-16(17)18(20-21)13-14-8-10-15(23-2)11-9-14/h3-11H,1,12-13H2,2H3
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n/an/an/an/a>1.00E+5n/an/an/an/a



Universidad de Salamanca

Curated by ChEMBL


Assay Description
Vasorelaxation of phenylephrine-stimulated Wistar rat aorta 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-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50131410
PNG
(4-(3,4-Dimethoxy-benzyl)-2H-phthalazin-1-one | 4-(...)
Show SMILES COc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1OC
Show InChI InChI=1S/C17H16N2O3/c1-21-15-8-7-11(10-16(15)22-2)9-14-12-5-3-4-6-13(12)17(20)19-18-14/h3-8,10H,9H2,1-2H3,(H,19,20)
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n/an/an/an/a 3.70E+3n/an/an/an/a



Universidad de Salamanca

Curated by ChEMBL


Assay Description
Vasorelaxation of phenylephrine-stimulated Wistar rat aorta 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-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50183668
PNG
(4-(4-chlorobenzyl)-2-phenylphthalazin-1(2H)-one | ...)
Show SMILES Clc1ccc(Cc2nn(-c3ccccc3)c(=O)c3ccccc23)cc1
Show InChI InChI=1S/C21H15ClN2O/c22-16-12-10-15(11-13-16)14-20-18-8-4-5-9-19(18)21(25)24(23-20)17-6-2-1-3-7-17/h1-13H,14H2
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n/an/an/an/a>1.00E+5n/an/an/an/a



Universidad de Salamanca

Curated by ChEMBL


Assay Description
Vasorelaxation of phenylephrine-stimulated Wistar rat aorta 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-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50183675
PNG
(4-(4-(methylthio)benzyl)phthalazin-1(2H)-one | CHE...)
Show SMILES CSc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1
Show InChI InChI=1S/C16H14N2OS/c1-20-12-8-6-11(7-9-12)10-15-13-4-2-3-5-14(13)16(19)18-17-15/h2-9H,10H2,1H3,(H,18,19)
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n/an/an/an/a 5.50E+3n/an/an/an/a



Universidad de Salamanca

Curated by ChEMBL


Assay Description
Vasorelaxation of phenylephrine-stimulated Wistar rat aorta 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-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50183677
PNG
(4-(3,4-dimethoxybenzyl)-2-butylphthalazin-1(2H)-on...)
Show SMILES CCCCn1nc(Cc2ccc(OC)c(OC)c2)c2ccccc2c1=O
Show InChI InChI=1S/C21H24N2O3/c1-4-5-12-23-21(24)17-9-7-6-8-16(17)18(22-23)13-15-10-11-19(25-2)20(14-15)26-3/h6-11,14H,4-5,12-13H2,1-3H3
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n/an/an/an/a 5.40E+3n/an/an/an/a



Universidad de Salamanca

Curated by ChEMBL


Assay Description
Vasorelaxation of phenylephrine-stimulated Wistar rat aorta 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))
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-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50183689
PNG
(2-methyl-4-(naphthalen-1-ylmethyl)phthalazin-1(2H)...)
Show SMILES Cn1nc(Cc2cccc3ccccc23)c2ccccc2c1=O
Show InChI InChI=1S/C20H16N2O/c1-22-20(23)18-12-5-4-11-17(18)19(21-22)13-15-9-6-8-14-7-2-3-10-16(14)15/h2-12H,13H2,1H3
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n/an/an/an/a 1.40E+4n/an/an/an/a



Universidad de Salamanca

Curated by ChEMBL


Assay Description
Vasorelaxation of phenylephrine-stimulated Wistar rat aorta 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))
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-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50183676
PNG
(4-(3,4-dimethoxybenzyl)-2-tert-butylphthalazin-1(2...)
Show SMILES COc1ccc(Cc2nn(c(=O)c3ccccc23)C(C)(C)C)cc1OC
Show InChI InChI=1S/C21H24N2O3/c1-21(2,3)23-20(24)16-9-7-6-8-15(16)17(22-23)12-14-10-11-18(25-4)19(13-14)26-5/h6-11,13H,12H2,1-5H3
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n/an/an/an/a 1.00E+4n/an/an/an/a



Universidad de Salamanca

Curated by ChEMBL


Assay Description
Vasorelaxation of phenylephrine-stimulated Wistar rat aorta 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-1D 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 2.90E+3n/an/an/an/a



Universidad de Salamanca

Curated by ChEMBL


Assay Description
Vasorelaxation of phenylephrine-stimulated Wistar rat aorta 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-1D 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 790n/an/an/an/a



Universidad de Salamanca

Curated by ChEMBL


Assay Description
Vasorelaxation of phenylephrine-stimulated Wistar rat aorta 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-1D 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 2.60E+3n/an/an/an/a



Universidad de Salamanca

Curated by ChEMBL


Assay Description
Vasorelaxation of phenylephrine-stimulated Wistar rat aorta 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-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50183666
PNG
(4-(2,4-dichlorobenzyl)-2-methylphthalazin-1(2H)-on...)
Show SMILES Cn1nc(Cc2ccc(Cl)cc2Cl)c2ccccc2c1=O
Show InChI InChI=1S/C16H12Cl2N2O/c1-20-16(21)13-5-3-2-4-12(13)15(19-20)8-10-6-7-11(17)9-14(10)18/h2-7,9H,8H2,1H3
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n/an/an/an/a 1.20E+3n/an/an/an/a



Universidad de Salamanca

Curated by ChEMBL


Assay Description
Vasorelaxation of phenylephrine-stimulated Wistar rat aorta 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-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50183680
PNG
(4-(3,4-dichlorobenzyl)-2-methylphthalazin-1(2H)-on...)
Show SMILES Cn1nc(Cc2ccc(Cl)c(Cl)c2)c2ccccc2c1=O
Show InChI InChI=1S/C16H12Cl2N2O/c1-20-16(21)12-5-3-2-4-11(12)15(19-20)9-10-6-7-13(17)14(18)8-10/h2-8H,9H2,1H3
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n/an/an/an/a 4.90E+3n/an/an/an/a



Universidad de Salamanca

Curated by ChEMBL


Assay Description
Vasorelaxation of phenylephrine-stimulated Wistar rat aorta 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-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50183690
PNG
(4-(2-chlorobenzyl)-2-methylphthalazin-1(2H)-one | ...)
Show SMILES Cn1nc(Cc2ccccc2Cl)c2ccccc2c1=O
Show InChI InChI=1S/C16H13ClN2O/c1-19-16(20)13-8-4-3-7-12(13)15(18-19)10-11-6-2-5-9-14(11)17/h2-9H,10H2,1H3
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n/an/an/an/a 1.40E+3n/an/an/an/a



Universidad de Salamanca

Curated by ChEMBL


Assay Description
Vasorelaxation of phenylephrine-stimulated Wistar rat aorta 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-1D 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 430n/an/an/an/a



Universidad de Salamanca

Curated by ChEMBL


Assay Description
Vasorelaxation of phenylephrine-stimulated Wistar rat aorta 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-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50183671
PNG
(4-(4-(methylthio)benzyl)-2-ethylphthalazin-1(2H)-o...)
Show SMILES CCn1nc(Cc2ccc(SC)cc2)c2ccccc2c1=O
Show InChI InChI=1S/C18H18N2OS/c1-3-20-18(21)16-7-5-4-6-15(16)17(19-20)12-13-8-10-14(22-2)11-9-13/h4-11H,3,12H2,1-2H3
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n/an/an/an/a>1.00E+5n/an/an/an/a



Universidad de Salamanca

Curated by ChEMBL


Assay Description
Vasorelaxation of phenylephrine-stimulated Wistar rat aorta 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-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50131403
PNG
(2-Methyl-4-(3,4,5-trimethoxy-benzyl)-2H-phthalazin...)
Show SMILES COc1cc(Cc2nn(C)c(=O)c3ccccc23)cc(OC)c1OC
Show InChI InChI=1S/C19H20N2O4/c1-21-19(22)14-8-6-5-7-13(14)15(20-21)9-12-10-16(23-2)18(25-4)17(11-12)24-3/h5-8,10-11H,9H2,1-4H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



Universidad de Salamanca

Curated by ChEMBL


Assay Description
Vasorelaxation of phenylephrine-stimulated Wistar rat aorta 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-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50183663
PNG
(4-(4-chlorobenzyl)-2-tert-butylphthalazin-1(2H)-on...)
Show SMILES CC(C)(C)n1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O
Show InChI InChI=1S/C19H19ClN2O/c1-19(2,3)22-18(23)16-7-5-4-6-15(16)17(21-22)12-13-8-10-14(20)11-9-13/h4-11H,12H2,1-3H3
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n/an/an/an/a>1.00E+5n/an/an/an/a



Universidad de Salamanca

Curated by ChEMBL


Assay Description
Vasorelaxation of phenylephrine-stimulated Wistar rat aorta 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-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50131408
PNG
(4-(3,4-Dimethoxy-benzyl)-2-methyl-2H-phthalazin-1-...)
Show SMILES COc1ccc(Cc2nn(C)c(=O)c3ccccc23)cc1OC
Show InChI InChI=1S/C18H18N2O3/c1-20-18(21)14-7-5-4-6-13(14)15(19-20)10-12-8-9-16(22-2)17(11-12)23-3/h4-9,11H,10H2,1-3H3
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n/an/an/an/a 2.20E+3n/an/an/an/a



Universidad de Salamanca

Curated by ChEMBL


Assay Description
Vasorelaxation of phenylephrine-stimulated Wistar rat aorta 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-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50183667
PNG
(4-(3,4-dimethoxybenzyl)-2-ethylphthalazin-1(2H)-on...)
Show SMILES CCn1nc(Cc2ccc(OC)c(OC)c2)c2ccccc2c1=O
Show InChI InChI=1S/C19H20N2O3/c1-4-21-19(22)15-8-6-5-7-14(15)16(20-21)11-13-9-10-17(23-2)18(12-13)24-3/h5-10,12H,4,11H2,1-3H3
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n/an/an/an/a 5.30E+3n/an/an/an/a



Universidad de Salamanca

Curated by ChEMBL


Assay Description
Vasorelaxation of phenylephrine-stimulated Wistar rat aorta 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-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50131402
PNG
(4-(benzo[d][1,3]dioxol-5-ylmethyl)-2-methylphthala...)
Show SMILES Cn1nc(Cc2ccc3OCOc3c2)c2ccccc2c1=O
Show InChI InChI=1S/C17H14N2O3/c1-19-17(20)13-5-3-2-4-12(13)14(18-19)8-11-6-7-15-16(9-11)22-10-21-15/h2-7,9H,8,10H2,1H3
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n/an/an/an/a 930n/an/an/an/a



Universidad de Salamanca

Curated by ChEMBL


Assay Description
Vasorelaxation of phenylephrine-stimulated Wistar rat aorta 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-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50131420
PNG
(4-(3,4,5-Trimethoxy-benzyl)-2H-phthalazin-1-one | ...)
Show SMILES COc1cc(Cc2n[nH]c(=O)c3ccccc23)cc(OC)c1OC
Show InChI InChI=1S/C18H18N2O4/c1-22-15-9-11(10-16(23-2)17(15)24-3)8-14-12-6-4-5-7-13(12)18(21)20-19-14/h4-7,9-10H,8H2,1-3H3,(H,20,21)
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n/an/an/an/a>1.00E+5n/an/an/an/a



Universidad de Salamanca

Curated by ChEMBL


Assay Description
Vasorelaxation of phenylephrine-stimulated Wistar rat aorta 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-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50183678
PNG
(4-(2-chlorobenzyl)phthalazin-1(2H)-one | CHEMBL378...)
Show SMILES Clc1ccccc1Cc1n[nH]c(=O)c2ccccc12
Show InChI InChI=1S/C15H11ClN2O/c16-13-8-4-1-5-10(13)9-14-11-6-2-3-7-12(11)15(19)18-17-14/h1-8H,9H2,(H,18,19)
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n/an/an/an/a 1.90E+3n/an/an/an/a



Universidad de Salamanca

Curated by ChEMBL


Assay Description
Vasorelaxation of phenylephrine-stimulated Wistar rat aorta 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-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50183679
PNG
(4-(3,4-dimethoxybenzyl)-2-allylphthalazin-1(2H)-on...)
Show SMILES COc1ccc(Cc2nn(CC=C)c(=O)c3ccccc23)cc1OC
Show InChI InChI=1S/C20H20N2O3/c1-4-11-22-20(23)16-8-6-5-7-15(16)17(21-22)12-14-9-10-18(24-2)19(13-14)25-3/h4-10,13H,1,11-12H2,2-3H3
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n/an/an/an/a 9.80E+3n/an/an/an/a



Universidad de Salamanca

Curated by ChEMBL


Assay Description
Vasorelaxation of phenylephrine-stimulated Wistar rat aorta 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-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50183684
PNG
(4-(3,4-dimethoxybenzyl)-2-phenylphthalazin-1(2H)-o...)
Show SMILES COc1ccc(Cc2nn(-c3ccccc3)c(=O)c3ccccc23)cc1OC
Show InChI InChI=1S/C23H20N2O3/c1-27-21-13-12-16(15-22(21)28-2)14-20-18-10-6-7-11-19(18)23(26)25(24-20)17-8-4-3-5-9-17/h3-13,15H,14H2,1-2H3
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n/an/an/an/a>1.00E+5n/an/an/an/a



Universidad de Salamanca

Curated by ChEMBL


Assay Description
Vasorelaxation of phenylephrine-stimulated Wistar rat aorta 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-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50183691
PNG
(4-(3,4-dimethoxybenzyl)-2-(4-bromophenyl)phthalazi...)
Show SMILES COc1ccc(Cc2nn(-c3ccc(Br)cc3)c(=O)c3ccccc23)cc1OC
Show InChI InChI=1S/C23H19BrN2O3/c1-28-21-12-7-15(14-22(21)29-2)13-20-18-5-3-4-6-19(18)23(27)26(25-20)17-10-8-16(24)9-11-17/h3-12,14H,13H2,1-2H3
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n/an/an/an/a>1.00E+5n/an/an/an/a



Universidad de Salamanca

Curated by ChEMBL


Assay Description
Vasorelaxation of phenylephrine-stimulated Wistar rat aorta 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-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50183662
PNG
(4-(4-chlorobenzyl)-2-(4-nitrophenyl)phthalazin-1(2...)
Show SMILES [O-][N+](=O)c1ccc(cc1)-n1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O
Show InChI InChI=1S/C21H14ClN3O3/c22-15-7-5-14(6-8-15)13-20-18-3-1-2-4-19(18)21(26)24(23-20)16-9-11-17(12-10-16)25(27)28/h1-12H,13H2
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n/an/an/an/a 2.90E+4n/an/an/an/a



Universidad de Salamanca

Curated by ChEMBL


Assay Description
Vasorelaxation of phenylephrine-stimulated Wistar rat aorta 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-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50131404
PNG
(4-(4-Methoxy-benzyl)-2H-phthalazin-1-one | 4-(4-me...)
Show SMILES COc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1
Show InChI InChI=1S/C16H14N2O2/c1-20-12-8-6-11(7-9-12)10-15-13-4-2-3-5-14(13)16(19)18-17-15/h2-9H,10H2,1H3,(H,18,19)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Universidad de Salamanca

Curated by ChEMBL


Assay Description
Vasorelaxation of phenylephrine-stimulated Wistar rat aorta 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-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50183673
PNG
(4-(4-(methylthio)benzyl)-2-phenylphthalazin-1(2H)-...)
Show SMILES CSc1ccc(Cc2nn(-c3ccccc3)c(=O)c3ccccc23)cc1
Show InChI InChI=1S/C22H18N2OS/c1-26-18-13-11-16(12-14-18)15-21-19-9-5-6-10-20(19)22(25)24(23-21)17-7-3-2-4-8-17/h2-14H,15H2,1H3
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n/an/an/an/a>1.00E+5n/an/an/an/a



Universidad de Salamanca

Curated by ChEMBL


Assay Description
Vasorelaxation of phenylephrine-stimulated Wistar rat aorta 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-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50183674
PNG
(4-(4-(methylthio)benzyl)-2-butylphthalazin-1(2H)-o...)
Show SMILES CCCCn1nc(Cc2ccc(SC)cc2)c2ccccc2c1=O
Show InChI InChI=1S/C20H22N2OS/c1-3-4-13-22-20(23)18-8-6-5-7-17(18)19(21-22)14-15-9-11-16(24-2)12-10-15/h5-12H,3-4,13-14H2,1-2H3
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n/an/an/an/a>1.00E+5n/an/an/an/a



Universidad de Salamanca

Curated by ChEMBL


Assay Description
Vasorelaxation of phenylephrine-stimulated Wistar rat aorta 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-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50183682
PNG
(2-methyl-4-(naphthalen-2-ylmethyl)phthalazin-1(2H)...)
Show SMILES Cn1nc(Cc2ccc3ccccc3c2)c2ccccc2c1=O
Show InChI InChI=1S/C20H16N2O/c1-22-20(23)18-9-5-4-8-17(18)19(21-22)13-14-10-11-15-6-2-3-7-16(15)12-14/h2-12H,13H2,1H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



Universidad de Salamanca

Curated by ChEMBL


Assay Description
Vasorelaxation of phenylephrine-stimulated Wistar rat aorta 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-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50183688
PNG
(4-(4-(methylthio)benzyl)-2-(4-bromophenyl)phthalaz...)
Show SMILES CSc1ccc(Cc2nn(-c3ccc(Br)cc3)c(=O)c3ccccc23)cc1
Show InChI InChI=1S/C22H17BrN2OS/c1-27-18-12-6-15(7-13-18)14-21-19-4-2-3-5-20(19)22(26)25(24-21)17-10-8-16(23)9-11-17/h2-13H,14H2,1H3
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n/an/an/an/a>1.00E+5n/an/an/an/a



Universidad de Salamanca

Curated by ChEMBL


Assay Description
Vasorelaxation of phenylephrine-stimulated Wistar rat aorta 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-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50183685
PNG
(4-(naphthalen-2-ylmethyl)phthalazin-1(2H)-one | CH...)
Show SMILES O=c1[nH]nc(Cc2ccc3ccccc3c2)c2ccccc12
Show InChI InChI=1S/C19H14N2O/c22-19-17-8-4-3-7-16(17)18(20-21-19)12-13-9-10-14-5-1-2-6-15(14)11-13/h1-11H,12H2,(H,21,22)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Universidad de Salamanca

Curated by ChEMBL


Assay Description
Vasorelaxation of phenylephrine-stimulated Wistar rat aorta 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-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50183686
PNG
(4-(4-(methylthio)benzyl)-2-(4-nitrophenyl)phthalaz...)
Show SMILES CSc1ccc(Cc2nn(-c3ccc(cc3)[N+]([O-])=O)c(=O)c3ccccc23)cc1
Show InChI InChI=1S/C22H17N3O3S/c1-29-18-12-6-15(7-13-18)14-21-19-4-2-3-5-20(19)22(26)24(23-21)16-8-10-17(11-9-16)25(27)28/h2-13H,14H2,1H3
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n/an/an/an/a>1.00E+5n/an/an/an/a



Universidad de Salamanca

Curated by ChEMBL


Assay Description
Vasorelaxation of phenylephrine-stimulated Wistar rat aorta 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-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50183692
PNG
(4-(4-chlorobenzyl)-2-(4-bromophenyl)phthalazin-1(2...)
Show SMILES Clc1ccc(Cc2nn(-c3ccc(Br)cc3)c(=O)c3ccccc23)cc1
Show InChI InChI=1S/C21H14BrClN2O/c22-15-7-11-17(12-8-15)25-21(26)19-4-2-1-3-18(19)20(24-25)13-14-5-9-16(23)10-6-14/h1-12H,13H2
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n/an/an/an/a>3.00E+4n/an/an/an/a



Universidad de Salamanca

Curated by ChEMBL


Assay Description
Vasorelaxation of phenylephrine-stimulated Wistar rat aorta 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))
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-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50183669
PNG
(4-(4-(methylthio)benzyl)-2-methylphthalazin-1(2H)-...)
Show SMILES CSc1ccc(Cc2nn(C)c(=O)c3ccccc23)cc1
Show InChI InChI=1S/C17H16N2OS/c1-19-17(20)15-6-4-3-5-14(15)16(18-19)11-12-7-9-13(21-2)10-8-12/h3-10H,11H2,1-2H3
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n/an/an/an/a 930n/an/an/an/a



Universidad de Salamanca

Curated by ChEMBL


Assay Description
Vasorelaxation of phenylephrine-stimulated Wistar rat aorta 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-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50183670
PNG
(4-(3,4-dimethoxybenzyl)-2-(4-nitrophenyl)phthalazi...)
Show SMILES COc1ccc(Cc2nn(-c3ccc(cc3)[N+]([O-])=O)c(=O)c3ccccc23)cc1OC
Show InChI InChI=1S/C23H19N3O5/c1-30-21-12-7-15(14-22(21)31-2)13-20-18-5-3-4-6-19(18)23(27)25(24-20)16-8-10-17(11-9-16)26(28)29/h3-12,14H,13H2,1-2H3
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n/an/an/an/a>1.00E+5n/an/an/an/a



Universidad de Salamanca

Curated by ChEMBL


Assay Description
Vasorelaxation of phenylephrine-stimulated Wistar rat aorta 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-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50183681
PNG
(4-(4-(methylthio)benzyl)-2-tert-butylphthalazin-1(...)
Show SMILES CSc1ccc(Cc2nn(c(=O)c3ccccc23)C(C)(C)C)cc1
Show InChI InChI=1S/C20H22N2OS/c1-20(2,3)22-19(23)17-8-6-5-7-16(17)18(21-22)13-14-9-11-15(24-4)12-10-14/h5-12H,13H2,1-4H3
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n/an/an/an/a>1.00E+5n/an/an/an/a



Universidad de Salamanca

Curated by ChEMBL


Assay Description
Vasorelaxation of phenylephrine-stimulated Wistar rat aorta 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-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50183687
PNG
(4-(4-chlorobenzyl)-2-ethylphthalazin-1(2H)-one | C...)
Show SMILES CCn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O
Show InChI InChI=1S/C17H15ClN2O/c1-2-20-17(21)15-6-4-3-5-14(15)16(19-20)11-12-7-9-13(18)10-8-12/h3-10H,2,11H2,1H3
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UniProtKB/SwissProt

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n/an/an/an/a 1.30E+3n/an/an/an/a



Universidad de Salamanca

Curated by ChEMBL


Assay Description
Vasorelaxation of phenylephrine-stimulated Wistar rat aorta 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-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50183693
PNG
(4-(4-chlorobenzyl)-2-butylphthalazin-1(2H)-one | C...)
Show SMILES CCCCn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O
Show InChI InChI=1S/C19H19ClN2O/c1-2-3-12-22-19(23)17-7-5-4-6-16(17)18(21-22)13-14-8-10-15(20)11-9-14/h4-11H,2-3,12-13H2,1H3
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n/an/an/an/a>1.00E+5n/an/an/an/a



Universidad de Salamanca

Curated by ChEMBL


Assay Description
Vasorelaxation of phenylephrine-stimulated Wistar rat aorta 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-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50183683
PNG
(4-(naphthalen-1-ylmethyl)phthalazin-1(2H)-one | CH...)
Show SMILES O=c1[nH]nc(Cc2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C19H14N2O/c22-19-17-11-4-3-10-16(17)18(20-21-19)12-14-8-5-7-13-6-1-2-9-15(13)14/h1-11H,12H2,(H,21,22)
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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 phenylephrine-stimulated Wistar rat aorta 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
* indicates data uncertainty>20%