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Compile Data Set for Download or QSAR

Found 199 hits of ec50 data for polymerid = 49000208,7476,7889   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Alpha adrenergic receptor (1a and 1d)


(HUMAN)
BDBM50219153
PNG
(CHEMBL414185)
Show SMILES COC(=O)c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C12H15N3O2/c1-17-12(16)9-4-2-3-5-10(9)15-8-11-13-6-7-14-11/h2-5,15H,6-8H2,1H3,(H,13,14)
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n/an/an/an/a 0.501n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Potency against cloned human alpha 1D-adrenoceptor expressed in rat-1 fibroblasts.


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


(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 ...


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(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 ...


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


(HUMAN)
BDBM50421512
PNG
(CHEMBL95523)
Show SMILES CNC(=O)c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C12H16N4O/c1-13-12(17)9-4-2-3-5-10(9)16-8-11-14-6-7-15-11/h2-5,16H,6-8H2,1H3,(H,13,17)(H,14,15)
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n/an/an/an/a 10n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Potency against cloned human alpha 1D-adrenoceptor expressed in rat-1 fibroblasts.


Citation and Details
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-1D adrenergic receptor


(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 ...


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(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 ...


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


(HUMAN)
BDBM50219159
PNG
(CHEMBL95565)
Show SMILES CC(C)CNC(=O)c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C15H22N4O/c1-11(2)9-19-15(20)12-5-3-4-6-13(12)18-10-14-16-7-8-17-14/h3-6,11,18H,7-10H2,1-2H3,(H,16,17)(H,19,20)
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n/an/an/an/a 16n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Potency against cloned human alpha 1D-adrenoceptor expressed in rat-1 fibroblasts.


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


(HUMAN)
BDBM50219136
PNG
(CHEMBL99559)
Show SMILES CCCCOC(=O)c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C15H21N3O2/c1-2-3-10-20-15(19)12-6-4-5-7-13(12)18-11-14-16-8-9-17-14/h4-7,18H,2-3,8-11H2,1H3,(H,16,17)
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n/an/an/an/a 16n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Potency against cloned human alpha 1D-adrenoceptor expressed in rat-1 fibroblasts.


Citation and Details
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


(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 ...


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(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 ...


Citation and Details
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 adrenergic receptor (1a and 1d)


(HUMAN)
BDBM50219157
PNG
(CHEMBL329928)
Show SMILES CCOC(=O)c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C13H17N3O2/c1-2-18-13(17)10-5-3-4-6-11(10)16-9-12-14-7-8-15-12/h3-6,16H,2,7-9H2,1H3,(H,14,15)
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n/an/an/an/a 63n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Potency against cloned human alpha 1D-adrenoceptor expressed in rat-1 fibroblasts.


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


(HUMAN)
BDBM50219131
PNG
(CHEMBL99362)
Show SMILES CCNC(=O)c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C13H18N4O/c1-2-14-13(18)10-5-3-4-6-11(10)17-9-12-15-7-8-16-12/h3-6,17H,2,7-9H2,1H3,(H,14,18)(H,15,16)
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n/an/an/an/a 79n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Potency against cloned human alpha 1D-adrenoceptor expressed in rat-1 fibroblasts.


Citation and Details
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


(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)
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

Curated by ChEMBL


Assay Description
Potency against cloned human alpha 1D-adrenoceptor expressed in rat-1 fibroblasts.


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


(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 ...


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(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-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


(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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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


(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 ...


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


(HUMAN)
BDBM50421577
PNG
(CHEMBL318544)
Show SMILES CCCNC(=O)c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C14H20N4O/c1-2-7-17-14(19)11-5-3-4-6-12(11)18-10-13-15-8-9-16-13/h3-6,18H,2,7-10H2,1H3,(H,15,16)(H,17,19)
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n/an/an/an/a 158n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Potency against cloned human alpha 1D-adrenoceptor expressed in rat-1 fibroblasts.


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


(HUMAN)
BDBM50219154
PNG
(CHEMBL100198)
Show SMILES CN(C)C(=O)c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C13H18N4O/c1-17(2)13(18)10-5-3-4-6-11(10)16-9-12-14-7-8-15-12/h3-6,16H,7-9H2,1-2H3,(H,14,15)
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n/an/an/an/a 200n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Potency against cloned human alpha 1D-adrenoceptor expressed in rat-1 fibroblasts.


Citation and Details
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)
BDBM50219130
PNG
(CHEMBL95398)
Show SMILES CC(C)COC(=O)c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C15H21N3O2/c1-11(2)10-20-15(19)12-5-3-4-6-13(12)18-9-14-16-7-8-17-14/h3-6,11,18H,7-10H2,1-2H3,(H,16,17)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Potency against cloned human alpha 1D-adrenoceptor expressed in rat-1 fibroblasts.


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


(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-1D adrenergic receptor


(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-1D adrenergic receptor


(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)
BDBM50219150
PNG
(CHEMBL98016)
Show SMILES CC(C)NC(=O)c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C14H20N4O/c1-10(2)18-14(19)11-5-3-4-6-12(11)17-9-13-15-7-8-16-13/h3-6,10,17H,7-9H2,1-2H3,(H,15,16)(H,18,19)
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n/an/an/an/a 316n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Potency against cloned human alpha 1D-adrenoceptor expressed in rat-1 fibroblasts.


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


(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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n/an/an/an/a 319n/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


(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-1D adrenergic receptor


(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-1D adrenergic receptor


(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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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-1D adrenergic receptor


(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 adrenergic receptor (1a and 1d)


(HUMAN)
BDBM50219134
PNG
(CHEMBL95333)
Show SMILES O=C(N1CCCCC1)c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C16H22N4O/c21-16(20-10-4-1-5-11-20)13-6-2-3-7-14(13)19-12-15-17-8-9-18-15/h2-3,6-7,19H,1,4-5,8-12H2,(H,17,18)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Potency against cloned human alpha 1D-adrenoceptor expressed in rat-1 fibroblasts.


Citation and Details
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)
BDBM50421517
PNG
(CHEMBL450018)
Show SMILES CCN(C)C(=O)c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C14H20N4O/c1-3-18(2)14(19)11-6-4-5-7-12(11)17-10-13-15-8-9-16-13/h4-7,17H,3,8-10H2,1-2H3,(H,15,16)
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n/an/an/an/a 631n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Potency against cloned human alpha 1D-adrenoceptor expressed in rat-1 fibroblasts.


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


(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-1D adrenergic receptor


(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-1D adrenergic receptor


(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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Article
PubMed
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)

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Ligand-Target Pair
Alpha-1D adrenergic receptor


(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 ...


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