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Compile Data Set for Download or QSAR

Found 70 hits of ec50 data for polymerid = 7476   
Target
(Institution)
LigandTarget
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))
BDBM50156304
PNG
(3-benzenesulfonyl-4-ethoxy-furazan 2-oxide | 4-eth...)
Show SMILES CCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C10H10N2O5S/c1-2-16-9-10(12(13)17-11-9)18(14,15)8-6-4-3-5-7-8/h3-7H,2H2,1H3
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n/an/an/an/a 12n/an/an/an/a



Università degli Studi di Torino

Curated by ChEMBL


Assay Description
Vasodilator activity assessed as ability to relax phenylephrine-induced contraction of Wistar rat aortic strips


J Med Chem 49: 2886-97 (2006)

More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50156310
PNG
(4-(3-(3-benzenesulfonylfuroxan-4-yloxy)propyl)phen...)
Show SMILES Oc1ccc(CCCOc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C17H16N2O6S/c20-14-10-8-13(9-11-14)5-4-12-24-16-17(19(21)25-18-16)26(22,23)15-6-2-1-3-7-15/h1-3,6-11,20H,4-5,12H2
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n/an/an/an/a 12n/an/an/an/a



Università degli Studi di Torino

Curated by ChEMBL


Assay Description
Vasodilator activity assessed as ability to relax phenylephrine-induced contraction of Wistar rat aortic strips


J Med Chem 49: 2886-97 (2006)

More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50186605
PNG
(4-(3-(3-benzenesulfonylfuroxan-4-yloxy)propyl)-2,6...)
Show SMILES COc1cc(CCCOc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)cc(OC)c1O
Show InChI InChI=1S/C19H20N2O8S/c1-26-15-11-13(12-16(27-2)17(15)22)7-6-10-28-18-19(21(23)29-20-18)30(24,25)14-8-4-3-5-9-14/h3-5,8-9,11-12,22H,6-7,10H2,1-2H3
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n/an/an/an/a 22n/an/an/an/a



Università degli Studi di Torino

Curated by ChEMBL


Assay Description
Vasodilator activity assessed as ability to relax phenylephrine-induced contraction of Wistar rat aortic strips


J Med Chem 49: 2886-97 (2006)

More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50156303
PNG
(2-(3-benzenesulfonylfuroxan-4-yloxymethyl)-2,5,7,8...)
Show SMILES Cc1c(C)c2OC(C)(COc3no[n+]([O-])c3S(=O)(=O)c3ccccc3)CCc2c(C)c1O
Show InChI InChI=1S/C22H24N2O7S/c1-13-14(2)19-17(15(3)18(13)25)10-11-22(4,30-19)12-29-20-21(24(26)31-23-20)32(27,28)16-8-6-5-7-9-16/h5-9,25H,10-12H2,1-4H3
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n/an/an/an/a 44n/an/an/an/a



Università degli Studi di Torino

Curated by ChEMBL


Assay Description
Vasodilator activity assessed as ability to relax phenylephrine-induced contraction of Wistar rat aortic strips


J Med Chem 49: 2886-97 (2006)

More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50156308
PNG
(4-(3-(3-benzenesulfonylfuroxan-4-yloxy)propyl)-2,6...)
Show SMILES CC(C)(C)c1cc(CCCOc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)cc(c1O)C(C)(C)C
Show InChI InChI=1S/C25H32N2O6S/c1-24(2,3)19-15-17(16-20(21(19)28)25(4,5)6)11-10-14-32-22-23(27(29)33-26-22)34(30,31)18-12-8-7-9-13-18/h7-9,12-13,15-16,28H,10-11,14H2,1-6H3
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n/an/an/an/a 110n/an/an/an/a



Università degli Studi di Torino

Curated by ChEMBL


Assay Description
Vasodilator activity assessed as ability to relax phenylephrine-induced contraction of Wistar rat aortic strips


J Med Chem 49: 2886-97 (2006)

More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50186606
PNG
(3-(4-hydroxyphenyl)prop-1,2-diyl dinitrate | CHEMB...)
Show SMILES Oc1ccc(CC(CO[N+]([O-])=O)[N+]([O-])=O)cc1
Show InChI InChI=1S/C9H10N2O6/c12-9-3-1-7(2-4-9)5-8(10(13)14)6-17-11(15)16/h1-4,8,12H,5-6H2
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n/an/an/an/a 130n/an/an/an/a



Università degli Studi di Torino

Curated by ChEMBL


Assay Description
Vasodilator activity assessed as ability to relax phenylephrine-induced contraction of Wistar rat aortic strips


J Med Chem 49: 2886-97 (2006)

More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50186612
PNG
(1,2-bis-nitrooxy-propane | CHEMBL206527)
Show SMILES CC(CO[N+]([O-])=O)O[N+]([O-])=O
Show InChI InChI=1S/C3H6N2O6/c1-3(11-5(8)9)2-10-4(6)7/h3H,2H2,1H3
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n/an/an/an/a 240n/an/an/an/a



Università degli Studi di Torino

Curated by ChEMBL


Assay Description
Vasodilator activity assessed as ability to relax phenylephrine-induced contraction of Wistar rat aortic strips


J Med Chem 49: 2886-97 (2006)

More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50156310
PNG
(4-(3-(3-benzenesulfonylfuroxan-4-yloxy)propyl)phen...)
Show SMILES Oc1ccc(CCCOc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C17H16N2O6S/c20-14-10-8-13(9-11-14)5-4-12-24-16-17(19(21)25-18-16)26(22,23)15-6-2-1-3-7-15/h1-3,6-11,20H,4-5,12H2
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n/an/an/an/a 360n/an/an/an/a



Università degli Studi di Torino

Curated by ChEMBL


Assay Description
Vasodilator activity assessed as ability to relax phenylephrine-induced contraction of Wistar rat aortic strips in presence of 1 uM ODQ


J Med Chem 49: 2886-97 (2006)

More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50186604
PNG
(4-((N-(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propyl...)
Show SMILES CN(CCCc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C)Cc1no[n+]([O-])c1C(N)=O
Show InChI InChI=1S/C22H34N4O4/c1-21(2,3)15-11-14(12-16(19(15)27)22(4,5)6)9-8-10-25(7)13-17-18(20(23)28)26(29)30-24-17/h11-12,27H,8-10,13H2,1-7H3,(H2,23,28)
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n/an/an/an/a 410n/an/an/an/a



Università degli Studi di Torino

Curated by ChEMBL


Assay Description
Vasodilator activity assessed as ability to relax phenylephrine-induced contraction of Wistar rat aortic strips


J Med Chem 49: 2886-97 (2006)

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)

More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50186605
PNG
(4-(3-(3-benzenesulfonylfuroxan-4-yloxy)propyl)-2,6...)
Show SMILES COc1cc(CCCOc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)cc(OC)c1O
Show InChI InChI=1S/C19H20N2O8S/c1-26-15-11-13(12-16(27-2)17(15)22)7-6-10-28-18-19(21(23)29-20-18)30(24,25)14-8-4-3-5-9-14/h3-5,8-9,11-12,22H,6-7,10H2,1-2H3
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n/an/an/an/a 500n/an/an/an/a



Università degli Studi di Torino

Curated by ChEMBL


Assay Description
Vasodilator activity assessed as ability to relax phenylephrine-induced contraction of Wistar rat aortic strips in presence of 1 uM ODQ


J Med Chem 49: 2886-97 (2006)

More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50186608
PNG
(3-((4-hydroxy-3,5-dimethoxy)phenyl)prop-1,2-diyl d...)
Show SMILES COc1cc(CC(CO[N+]([O-])=O)[N+]([O-])=O)cc(OC)c1O
Show InChI InChI=1S/C11H14N2O8/c1-19-9-4-7(5-10(20-2)11(9)14)3-8(12(15)16)6-21-13(17)18/h4-5,8,14H,3,6H2,1-2H3
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n/an/an/an/a 640n/an/an/an/a



Università degli Studi di Torino

Curated by ChEMBL


Assay Description
Vasodilator activity assessed as ability to relax phenylephrine-induced contraction of Wistar rat aortic strips


J Med Chem 49: 2886-97 (2006)

More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50156303
PNG
(2-(3-benzenesulfonylfuroxan-4-yloxymethyl)-2,5,7,8...)
Show SMILES Cc1c(C)c2OC(C)(COc3no[n+]([O-])c3S(=O)(=O)c3ccccc3)CCc2c(C)c1O
Show InChI InChI=1S/C22H24N2O7S/c1-13-14(2)19-17(15(3)18(13)25)10-11-22(4,30-19)12-29-20-21(24(26)31-23-20)32(27,28)16-8-6-5-7-9-16/h5-9,25H,10-12H2,1-4H3
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n/an/an/an/a 670n/an/an/an/a



Università degli Studi di Torino

Curated by ChEMBL


Assay Description
Vasodilator activity assessed as ability to relax phenylephrine-induced contraction of Wistar rat aortic strips in presence of 1 uM ODQ


J Med Chem 49: 2886-97 (2006)

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)

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)

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)

More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50156307
PNG
(3-(4-hydroxyphenyl)propyl nitrate | 4-(3-Nitrooxy-...)
Show SMILES Oc1ccc(CCCO[N+]([O-])=O)cc1
Show InChI InChI=1S/C9H11NO4/c11-9-5-3-8(4-6-9)2-1-7-14-10(12)13/h3-6,11H,1-2,7H2
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n/an/an/an/a 1.00E+3n/an/an/an/a



Università degli Studi di Torino

Curated by ChEMBL


Assay Description
Vasodilator activity assessed as ability to relax phenylephrine-induced contraction of Wistar rat aortic strips


J Med Chem 49: 2886-97 (2006)

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)

More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50156305
PNG
(2,5,7,8-Tetramethyl-2-(3-nitrooxy-propoxymethyl)-c...)
Show SMILES Cc1c(C)c2OC(C)(COCCCO[N+]([O-])=O)CCc2c(C)c1O
Show InChI InChI=1S/C17H25NO6/c1-11-12(2)16-14(13(3)15(11)19)6-7-17(4,24-16)10-22-8-5-9-23-18(20)21/h19H,5-10H2,1-4H3
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n/an/an/an/a 1.20E+3n/an/an/an/a



Università degli Studi di Torino

Curated by ChEMBL


Assay Description
Vasodilator activity assessed as ability to relax phenylephrine-induced contraction of Wistar rat aortic strips


J Med Chem 49: 2886-97 (2006)

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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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)

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)

More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50186603
PNG
(4-((N-((6-hydroxy-2,5,7,8-tetramethylchroman-2-yl)...)
Show SMILES CN(Cc1no[n+]([O-])c1C(N)=O)CC1(C)CCc2c(C)c(O)c(C)c(C)c2O1
Show InChI InChI=1S/C19H26N4O5/c1-10-11(2)17-13(12(3)16(10)24)6-7-19(4,27-17)9-22(5)8-14-15(18(20)25)23(26)28-21-14/h24H,6-9H2,1-5H3,(H2,20,25)
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n/an/an/an/a 1.50E+3n/an/an/an/a



Università degli Studi di Torino

Curated by ChEMBL


Assay Description
Vasodilator activity assessed as ability to relax phenylephrine-induced contraction of Wistar rat aortic strips


J Med Chem 49: 2886-97 (2006)

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)

More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Rattus norvegicus (Rat))
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 1.90E+3n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Effective concentration of the compound was determined in vitro against rat aorta Alpha-1D adrenergic receptor;* indicates EC50 < 15% at a concentrat...


J Med Chem 45: 4395-7 (2002)

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)

More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50118703
PNG
(CHEMBL109783 | N-[5-(4,5-Dihydro-1H-imidazol-2-yl)...)
Show SMILES CS(=O)(=O)Nc1c(O)ccc2C(CCCc12)C1=NCCN1
Show InChI InChI=1S/C14H19N3O3S/c1-21(19,20)17-13-10-3-2-4-11(14-15-7-8-16-14)9(10)5-6-12(13)18/h5-6,11,17-18H,2-4,7-8H2,1H3,(H,15,16)
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n/an/an/an/a 2.60E+3n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Effective concentration of the compound was determined in vitro against rat aorta Alpha-1D adrenergic receptor;* indicates EC50 < 15% at a concentrat...


J Med Chem 45: 4395-7 (2002)

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)

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)

More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50186607
PNG
(4-dimethylaminomethyl-2-oxy-furazan-3-carboxylic a...)
Show SMILES CN(C)Cc1no[n+]([O-])c1C(N)=O
Show InChI InChI=1S/C6H10N4O3/c1-9(2)3-4-5(6(7)11)10(12)13-8-4/h3H2,1-2H3,(H2,7,11)
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n/an/an/an/a 3.10E+3n/an/an/an/a



Università degli Studi di Torino

Curated by ChEMBL


Assay Description
Vasodilator activity assessed as ability to relax phenylephrine-induced contraction of Wistar rat aortic strips


J Med Chem 49: 2886-97 (2006)

More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50186610
PNG
(3-((4-hydroxy-3,5-di-tert-butyl)phenyl)prop-1,2-di...)
Show SMILES CC(C)(C)c1cc(CC(CO[N+]([O-])=O)[N+]([O-])=O)cc(c1O)C(C)(C)C
Show InChI InChI=1S/C17H26N2O6/c1-16(2,3)13-8-11(9-14(15(13)20)17(4,5)6)7-12(18(21)22)10-25-19(23)24/h8-9,12,20H,7,10H2,1-6H3
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n/an/an/an/a 3.30E+3n/an/an/an/a



Università degli Studi di Torino

Curated by ChEMBL


Assay Description
Vasodilator activity assessed as ability to relax phenylephrine-induced contraction of Wistar rat aortic strips


J Med Chem 49: 2886-97 (2006)

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)

More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50186611
PNG
(3-(4-hydroxy-3,5-dimethoxyphenyl)propyl nitrate | ...)
Show SMILES COc1cc(CCCO[N+]([O-])=O)cc(OC)c1O
Show InChI InChI=1S/C11H15NO6/c1-16-9-6-8(4-3-5-18-12(14)15)7-10(17-2)11(9)13/h6-7,13H,3-5H2,1-2H3
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n/an/an/an/a 4.30E+3n/an/an/an/a



Università degli Studi di Torino

Curated by ChEMBL


Assay Description
Vasodilator activity assessed as ability to relax phenylephrine-induced contraction of Wistar rat aortic strips


J Med Chem 49: 2886-97 (2006)

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)

More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50156308
PNG
(4-(3-(3-benzenesulfonylfuroxan-4-yloxy)propyl)-2,6...)
Show SMILES CC(C)(C)c1cc(CCCOc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)cc(c1O)C(C)(C)C
Show InChI InChI=1S/C25H32N2O6S/c1-24(2,3)19-15-17(16-20(21(19)28)25(4,5)6)11-10-14-32-22-23(27(29)33-26-22)34(30,31)18-12-8-7-9-13-18/h7-9,12-13,15-16,28H,10-11,14H2,1-6H3
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n/an/an/an/a 4.80E+3n/an/an/an/a



Università degli Studi di Torino

Curated by ChEMBL


Assay Description
Vasodilator activity assessed as ability to relax phenylephrine-induced contraction of Wistar rat aortic strips in presence of 1 uM ODQ


J Med Chem 49: 2886-97 (2006)

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)

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)

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)

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)

More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50186613
PNG
(4-hydroxymethyl-2-oxy-furazan-3-carboxylic acid am...)
Show SMILES NC(=O)c1c(CO)no[n+]1[O-]
Show InChI InChI=1S/C4H5N3O4/c5-4(9)3-2(1-8)6-11-7(3)10/h8H,1H2,(H2,5,9)
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n/an/an/an/a 6.30E+3n/an/an/an/a



Università degli Studi di Torino

Curated by ChEMBL


Assay Description
Vasodilator activity assessed as ability to relax phenylephrine-induced contraction of Wistar rat aortic strips


J Med Chem 49: 2886-97 (2006)

More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50186604
PNG
(4-((N-(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propyl...)
Show SMILES CN(CCCc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C)Cc1no[n+]([O-])c1C(N)=O
Show InChI InChI=1S/C22H34N4O4/c1-21(2,3)15-11-14(12-16(19(15)27)22(4,5)6)9-8-10-25(7)13-17-18(20(23)28)26(29)30-24-17/h11-12,27H,8-10,13H2,1-7H3,(H2,23,28)
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n/an/an/an/a 7.40E+3n/an/an/an/a



Università degli Studi di Torino

Curated by ChEMBL


Assay Description
Vasodilator activity assessed as ability to relax phenylephrine-induced contraction of Wistar rat aortic strips in presence of 1 uM ODQ


J Med Chem 49: 2886-97 (2006)

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)

More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50156305
PNG
(2,5,7,8-Tetramethyl-2-(3-nitrooxy-propoxymethyl)-c...)
Show SMILES Cc1c(C)c2OC(C)(COCCCO[N+]([O-])=O)CCc2c(C)c1O
Show InChI InChI=1S/C17H25NO6/c1-11-12(2)16-14(13(3)15(11)19)6-7-17(4,24-16)10-22-8-5-9-23-18(20)21/h19H,5-10H2,1-4H3
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n/an/an/an/a 1.00E+4n/an/an/an/a



Università degli Studi di Torino

Curated by ChEMBL


Assay Description
Vasodilator activity assessed as ability to relax phenylephrine-induced contraction of Wistar rat aortic strips in presence of 1 uM ODQ


J Med Chem 49: 2886-97 (2006)

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)

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)

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)

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)

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)

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)

More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50186603
PNG
(4-((N-((6-hydroxy-2,5,7,8-tetramethylchroman-2-yl)...)
Show SMILES CN(Cc1no[n+]([O-])c1C(N)=O)CC1(C)CCc2c(C)c(O)c(C)c(C)c2O1
Show InChI InChI=1S/C19H26N4O5/c1-10-11(2)17-13(12(3)16(10)24)6-7-19(4,27-17)9-22(5)8-14-15(18(20)25)23(26)28-21-14/h24H,6-9H2,1-5H3,(H2,20,25)
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n/an/an/an/a 1.90E+4n/an/an/an/a



Università degli Studi di Torino

Curated by ChEMBL


Assay Description
Vasodilator activity assessed as ability to relax phenylephrine-induced contraction of Wistar rat aortic strips in presence of 1 uM ODQ


J Med Chem 49: 2886-97 (2006)

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)

More data for this
Ligand-Target Pair
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