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Compile Data Set for Download or QSAR

Found 170 hits of ec50 data for polymerid = 49000208,49000208,7476,7889   
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 adrenergic receptor (1a and 1d)


(HUMAN)
BDBM50000195
PNG
(CHEMBL142784)
Show SMILES C(Oc1ccccc1-c1ccoc1)C1=NCCN1
Show InChI InChI=1S/C14H14N2O2/c1-2-4-13(18-10-14-15-6-7-16-14)12(3-1)11-5-8-17-9-11/h1-5,8-9H,6-7,10H2,(H,15,16)
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n/an/an/an/a 5n/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Activation of recombinant human adrenergic, alpha-1D receptor expressed in rat-1 fibroblasts assayed via calcium mobilization through Gq coupled PLC ...


Bioorg Med Chem Lett 12: 471-5 (2002)

Checked by Author
More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(HUMAN)
BDBM50421593
PNG
(CHEMBL357129)
Show SMILES C(Oc1ccccc1-c1ccc[nH]1)C1=NCCN1
Show InChI InChI=1S/C14H15N3O/c1-2-6-13(18-10-14-16-8-9-17-14)11(4-1)12-5-3-7-15-12/h1-7,15H,8-10H2,(H,16,17)
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n/an/an/an/a 6.30n/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Activation of recombinant human adrenergic, alpha-1D receptor expressed in rat-1 fibroblasts assayed via calcium mobilization through Gq coupled PLC ...


Bioorg Med Chem Lett 12: 471-5 (2002)

Checked by Author
More data for this
Ligand-Target Pair
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 adrenergic receptor (1a and 1d)


(HUMAN)
BDBM50000210
PNG
(CHEMBL422477)
Show SMILES C(Oc1ccccc1-c1ccsc1)C1=NCCN1
Show InChI InChI=1S/C14H14N2OS/c1-2-4-13(17-9-14-15-6-7-16-14)12(3-1)11-5-8-18-10-11/h1-5,8,10H,6-7,9H2,(H,15,16)
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n/an/an/an/a 13n/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Activation of recombinant human adrenergic, alpha-1D receptor expressed in rat-1 fibroblasts assayed via calcium mobilization through Gq coupled PLC ...


Bioorg Med Chem Lett 12: 471-5 (2002)

Checked by Author
More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(HUMAN)
BDBM50000216
PNG
(CHEMBL143801)
Show SMILES C(Oc1ccccc1-c1cccs1)C1=NCCN1
Show InChI InChI=1S/C14H14N2OS/c1-2-5-12(17-10-14-15-7-8-16-14)11(4-1)13-6-3-9-18-13/h1-6,9H,7-8,10H2,(H,15,16)
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n/an/an/an/a 16n/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Activation of recombinant human adrenergic, alpha-1D receptor expressed in rat-1 fibroblasts assayed via calcium mobilization through Gq coupled PLC ...


Bioorg Med Chem Lett 12: 471-5 (2002)

Checked by Author
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 adrenergic receptor (1a and 1d)


(HUMAN)
BDBM50000207
PNG
(CHEMBL142387)
Show SMILES C(Oc1ccccc1-c1ccns1)C1=NCCN1
Show InChI InChI=1S/C13H13N3OS/c1-2-4-11(17-9-13-14-7-8-15-13)10(3-1)12-5-6-16-18-12/h1-6H,7-9H2,(H,14,15)
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n/an/an/an/a 25n/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Activation of recombinant human adrenergic, alpha-1D receptor expressed in rat-1 fibroblasts assayed via calcium mobilization through Gq coupled PLC ...


Bioorg Med Chem Lett 12: 471-5 (2002)

Checked by Author
More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(HUMAN)
BDBM50000208
PNG
(CHEMBL142871)
Show SMILES C(Oc1ccccc1-c1nccs1)C1=NCCN1
Show InChI InChI=1S/C13H13N3OS/c1-2-4-11(17-9-12-14-5-6-15-12)10(3-1)13-16-7-8-18-13/h1-4,7-8H,5-6,9H2,(H,14,15)
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n/an/an/an/a 32n/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Activation of recombinant human adrenergic, alpha-1D receptor expressed in rat-1 fibroblasts assayed via calcium mobilization through Gq coupled PLC ...


Bioorg Med Chem Lett 12: 471-5 (2002)

Checked by Author
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 adrenergic receptor (1a and 1d)


(HUMAN)
BDBM50258563
PNG
((S)-6-(2-(pyridin-3-yl)phenyl)-6,7-dihydro-5H-pyrr...)
Show SMILES C1[C@H](Cn2ccnc12)c1ccccc1-c1cccnc1
Show InChI InChI=1S/C17H15N3/c1-2-6-16(14-10-17-19-8-9-20(17)12-14)15(5-1)13-4-3-7-18-11-13/h1-9,11,14H,10,12H2/t14-/m1/s1
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n/an/an/an/a 119n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human adrenergic alpha1D receptor expressed in CHO cells assessed as calcium mobilization by FLIPR


Bioorg Med Chem Lett 19: 3113-7 (2009)

More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(HUMAN)
BDBM50419680
PNG
(CHEMBL1945039)
Show SMILES COc1ccccc1CNCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1
Show InChI InChI=1S/C26H29N3O4S/c1-33-23-8-3-2-7-19(23)15-28-14-18-6-4-5-17(13-18)11-12-27-16-22(31)20-9-10-21(30)24-25(20)34-26(32)29-24/h2-10,13,22,27-28,30-31H,11-12,14-16H2,1H3,(H,29,32)/t22-/m0/s1
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n/an/an/an/a 126n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to Alpha-1D adrenoreceptor expressed in HEK cells by calcium flux assay


Bioorg Med Chem Lett 22: 689-95 (2011)

More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(HUMAN)
BDBM50027060
PNG
(2-(2-Cyclopropyl-phenoxymethyl)-4,5-dihydro-1H-imi...)
Show SMILES C(Oc1ccccc1C1CC1)C1=NCCN1
Show InChI InChI=1S/C13H16N2O/c1-2-4-12(11(3-1)10-5-6-10)16-9-13-14-7-8-15-13/h1-4,10H,5-9H2,(H,14,15)
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n/an/an/an/a 126n/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Activation of recombinant human adrenergic, alpha-1D receptor expressed in rat-1 fibroblasts assayed via calcium mobilization through Gq coupled PLC ...


Bioorg Med Chem Lett 12: 471-5 (2002)

Checked by Author
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 adrenergic receptor (1a and 1d)


(HUMAN)
BDBM50258560
PNG
((S)-2-(2-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-...)
Show SMILES C1[C@H](Cn2ccnc12)c1ccccc1-c1ncco1
Show InChI InChI=1S/C15H13N3O/c1-2-4-13(15-17-6-8-19-15)12(3-1)11-9-14-16-5-7-18(14)10-11/h1-8,11H,9-10H2/t11-/m1/s1
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n/an/an/an/a 146n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human adrenergic alpha1D receptor expressed in CHO cells assessed as calcium mobilization by FLIPR


Bioorg Med Chem Lett 19: 3113-7 (2009)

More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(HUMAN)
BDBM50421594
PNG
(CHEMBL356605)
Show SMILES C(Oc1ccccc1-c1cccnc1)C1=NCCN1
Show InChI InChI=1S/C15H15N3O/c1-2-6-14(19-11-15-17-8-9-18-15)13(5-1)12-4-3-7-16-10-12/h1-7,10H,8-9,11H2,(H,17,18)
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n/an/an/an/a 158n/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Activation of recombinant human adrenergic, alpha-1D receptor expressed in rat-1 fibroblasts assayed via calcium mobilization through Gq coupled PLC ...


Bioorg Med Chem Lett 12: 471-5 (2002)

Checked by Author
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 adrenergic receptor (1a and 1d)


(HUMAN)
BDBM50258640
PNG
(2-(2-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl)-...)
Show SMILES Fc1ccc(-c2ncco2)c(c1)C1Cc2nccn2C1
Show InChI InChI=1S/C15H12FN3O/c16-11-1-2-12(15-18-4-6-20-15)13(8-11)10-7-14-17-3-5-19(14)9-10/h1-6,8,10H,7,9H2
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n/an/an/an/a 276n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human adrenergic alpha1D receptor expressed in CHO cells assessed as calcium mobilization by FLIPR


Bioorg Med Chem Lett 19: 3113-7 (2009)

More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(HUMAN)
BDBM50258641
PNG
(6-(4-fluoro-2-(1H-pyrazol-5-yl)phenyl)-6,7-dihydro...)
Show SMILES Fc1ccc(C2Cc3nccn3C2)c(c1)-c1cc[nH]n1
Show InChI InChI=1S/C15H13FN4/c16-11-1-2-12(13(8-11)14-3-4-18-19-14)10-7-15-17-5-6-20(15)9-10/h1-6,8,10H,7,9H2,(H,18,19)
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n/an/an/an/a 276n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human adrenergic alpha1D receptor expressed in CHO cells assessed as calcium mobilization by FLIPR


Bioorg Med Chem Lett 19: 3113-7 (2009)

More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(HUMAN)
BDBM50259534
PNG
(6-(2-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]im...)
Show SMILES Fc1ccccc1C1Cc2nccn2C1
Show InChI InChI=1S/C12H11FN2/c13-11-4-2-1-3-10(11)9-7-12-14-5-6-15(12)8-9/h1-6,9H,7-8H2
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n/an/an/an/a 301n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic alpha1D receptor expressed in CHO cells assessed as calcium mobilization by FLIPR


Bioorg Med Chem Lett 19: 3118-21 (2009)

More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(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-1D receptor expressed in CHO cells assessed as calcium mobilization by FLIPR


Bioorg Med Chem Lett 18: 2930-4 (2008)

More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(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 336n/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)

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 adrenergic receptor (1a and 1d)


(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)

More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(HUMAN)
BDBM50259486
PNG
(6-(2-chlorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]im...)
Show SMILES Clc1ccccc1C1Cc2nccn2C1
Show InChI InChI=1S/C12H11ClN2/c13-11-4-2-1-3-10(11)9-7-12-14-5-6-15(12)8-9/h1-6,9H,7-8H2
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n/an/an/an/a 364n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic alpha1D receptor expressed in CHO cells assessed as calcium mobilization by FLIPR


Bioorg Med Chem Lett 19: 3118-21 (2009)

More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(HUMAN)
BDBM50258559
PNG
((S)-6-(2-(pyrimidin-5-yl)phenyl)-6,7-dihydro-5H-py...)
Show SMILES C1[C@H](Cn2ccnc12)c1ccccc1-c1cncnc1
Show InChI InChI=1S/C16H14N4/c1-2-4-15(13-8-17-11-18-9-13)14(3-1)12-7-16-19-5-6-20(16)10-12/h1-6,8-9,11-12H,7,10H2/t12-/m1/s1
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n/an/an/an/a 391n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human adrenergic alpha1D receptor expressed in CHO cells assessed as calcium mobilization by FLIPR


Bioorg Med Chem Lett 19: 3113-7 (2009)

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 adrenergic receptor (1a and 1d)


(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 634n/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)

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 adrenergic receptor (1a and 1d)


(HUMAN)
BDBM50258564
PNG
((S)-6-(2-(pyridin-4-yl)phenyl)-6,7-dihydro-5H-pyrr...)
Show SMILES C1[C@H](Cn2ccnc12)c1ccccc1-c1ccncc1
Show InChI InChI=1S/C17H15N3/c1-2-4-16(14-11-17-19-9-10-20(17)12-14)15(3-1)13-5-7-18-8-6-13/h1-10,14H,11-12H2/t14-/m1/s1
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n/an/an/an/a 656n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human adrenergic alpha1D receptor expressed in CHO cells assessed as calcium mobilization by FLIPR


Bioorg Med Chem Lett 19: 3113-7 (2009)

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 adrenergic receptor (1a and 1d)


(HUMAN)
BDBM50258518
PNG
((S)-6-(biphenyl-2-yl)-6,7-dihydro-5H-pyrrolo[1,2-a...)
Show SMILES C1[C@H](Cn2ccnc12)c1ccccc1-c1ccccc1
Show InChI InChI=1S/C18H16N2/c1-2-6-14(7-3-1)16-8-4-5-9-17(16)15-12-18-19-10-11-20(18)13-15/h1-11,15H,12-13H2/t15-/m1/s1
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n/an/an/an/a 729n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human adrenergic alpha1D receptor expressed in CHO cells assessed as calcium mobilization by FLIPR


Bioorg Med Chem Lett 19: 3113-7 (2009)

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 adrenergic receptor (1a and 1d)


(HUMAN)
BDBM50000214
PNG
(CHEMBL337862)
Show SMILES C(Nc1ccccc1-c1ccccc1)C1=NCCN1
Show InChI InChI=1S/C16H17N3/c1-2-6-13(7-3-1)14-8-4-5-9-15(14)19-12-16-17-10-11-18-16/h1-9,19H,10-12H2,(H,17,18)
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n/an/an/an/a 794n/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Activation of recombinant human adrenergic, alpha-1D receptor expressed in rat-1 fibroblasts assayed via calcium mobilization through Gq coupled PLC ...


Bioorg Med Chem Lett 12: 471-5 (2002)

Checked by Author
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))
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))
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))
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 adrenergic receptor (1a and 1d)


(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 1.39E+3n/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)

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))
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))
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))
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
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