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Compile Data Set for Download or QSAR

Found 17 hits of ic50 data for polymerid = 7476   
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-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50422383
PNG
(CHEMBL1203235)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N(C)CCCCCCN(C)C(=O)c1ccc(CNCCCCCCNCCSSCCNCCCCCCNCc2ccc(cc2)C(=O)N(C)CCCCCCN(C)c2nc(N)c3cc(OC)c(OC)cc3n2)cc1
Show InChI InChI=1S/C68H104N14O6S2/c1-79(39-21-13-15-23-41-81(3)67-75-57-47-61(87-7)59(85-5)45-55(57)63(69)77-67)65(83)53-29-25-51(26-30-53)49-73-35-19-11-9-17-33-71-37-43-89-90-44-38-72-34-18-10-12-20-36-74-50-52-27-31-54(32-28-52)66(84)80(2)40-22-14-16-24-42-82(4)68-76-58-48-62(88-8)60(86-6)46-56(58)64(70)78-68/h25-32,45-48,71-74H,9-24,33-44,49-50H2,1-8H3,(H2,69,75,77)(H2,70,76,78)
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n/an/a 3.20n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Antagonist affinity [non competitive (irreversible)] at alpha-1D-adrenoreceptors on isolated thoracic aorta from rat


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


(Rattus norvegicus (Rat))
BDBM50422380
PNG
(CHEMBL1203232)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N(C)CCCCCCN(C)C(=O)c1cccc(CNCCCCCCNCCSSCCNCCCCCCNCc2cccc(c2)C(=O)N(C)CCCCCCN(C)c2nc(N)c3cc(OC)c(OC)cc3n2)c1
Show InChI InChI=1S/C68H104N14O6S2/c1-79(37-21-13-15-23-39-81(3)67-75-57-47-61(87-7)59(85-5)45-55(57)63(69)77-67)65(83)53-29-25-27-51(43-53)49-73-33-19-11-9-17-31-71-35-41-89-90-42-36-72-32-18-10-12-20-34-74-50-52-28-26-30-54(44-52)66(84)80(2)38-22-14-16-24-40-82(4)68-76-58-48-62(88-8)60(86-6)46-56(58)64(70)78-68/h25-30,43-48,71-74H,9-24,31-42,49-50H2,1-8H3,(H2,69,75,77)(H2,70,76,78)
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n/an/a 4.60n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Antagonist affinity [non competitive (irreversible)] at alpha-1D-adrenoreceptors on isolated thoracic aorta from rat


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


(Rattus norvegicus (Rat))
BDBM50422382
PNG
(CHEMBL1203233)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N(C)CCCCCCN(C)C(=O)c1ccccc1CNCCCCCCNCCSSCCNCCCCCCNCc1ccccc1C(=O)N(C)CCCCCCN(C)c1nc(N)c2cc(OC)c(OC)cc2n1
Show InChI InChI=1S/C68H104N14O6S2/c1-79(39-25-13-15-27-41-81(3)67-75-57-47-61(87-7)59(85-5)45-55(57)63(69)77-67)65(83)53-31-19-17-29-51(53)49-73-35-23-11-9-21-33-71-37-43-89-90-44-38-72-34-22-10-12-24-36-74-50-52-30-18-20-32-54(52)66(84)80(2)40-26-14-16-28-42-82(4)68-76-58-48-62(88-8)60(86-6)46-56(58)64(70)78-68/h17-20,29-32,45-48,71-74H,9-16,21-28,33-44,49-50H2,1-8H3,(H2,69,75,77)(H2,70,76,78)
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n/an/a 8.90n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Antagonist affinity [non competitive (irreversible)] at alpha-1D-adrenoreceptors on isolated thoracic aorta from rat


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


(Rattus norvegicus (Rat))
BDBM50057463
PNG
(1-[4-(4-Amino-6,7-dimethoxy-quinazolin-2-yl)-piper...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)COc1c(OC)cccc1C(C)C
Show InChI InChI=1S/C26H33N5O5/c1-16(2)17-7-6-8-20(33-3)24(17)36-15-23(32)30-9-11-31(12-10-30)26-28-19-14-22(35-5)21(34-4)13-18(19)25(27)29-26/h6-8,13-14,16H,9-12,15H2,1-5H3,(H2,27,28,29)
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n/an/a 23n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Binding affinity was tested on cloned rat Alpha-1D adrenergic receptor


J Med Chem 40: 1293-315 (1997)

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


(Rattus norvegicus (Rat))
BDBM50422381
PNG
(CHEMBL384790)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccc(CNCCCCCCNCCSSCCNCCCCCCNCc2ccc(cc2)C(=O)N2CCN(CC2)c2nc(N)c3cc(OC)c(OC)cc3n2)cc1
Show InChI InChI=1S/C60H84N14O6S2/c1-77-51-37-47-49(39-53(51)79-3)67-59(69-55(47)61)73-31-27-71(28-32-73)57(75)45-17-13-43(14-18-45)41-65-23-11-7-5-9-21-63-25-35-81-82-36-26-64-22-10-6-8-12-24-66-42-44-15-19-46(20-16-44)58(76)72-29-33-74(34-30-72)60-68-50-40-54(80-4)52(78-2)38-48(50)56(62)70-60/h13-20,37-40,63-66H,5-12,21-36,41-42H2,1-4H3,(H2,61,67,69)(H2,62,68,70)
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n/an/a 25n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Antagonist affinity [non competitive (irreversible)] at alpha-1D-adrenoreceptors on isolated thoracic aorta from rat


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


(Rattus norvegicus (Rat))
BDBM50422379
PNG
(CHEMBL263289)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccccc1CNCCCCCCNCCSSCCNCCCCCCNCc1ccccc1C(=O)N1CCN(CC1)c1nc(N)c2cc(OC)c(OC)cc2n1
Show InChI InChI=1S/C60H84N14O6S2/c1-77-51-37-47-49(39-53(51)79-3)67-59(69-55(47)61)73-31-27-71(28-32-73)57(75)45-19-11-9-17-43(45)41-65-23-15-7-5-13-21-63-25-35-81-82-36-26-64-22-14-6-8-16-24-66-42-44-18-10-12-20-46(44)58(76)72-29-33-74(34-30-72)60-68-50-40-54(80-4)52(78-2)38-48(50)56(62)70-60/h9-12,17-20,37-40,63-66H,5-8,13-16,21-36,41-42H2,1-4H3,(H2,61,67,69)(H2,62,68,70)
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n/an/a 27n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Antagonist affinity [non competitive (irreversible)] at alpha-1D-adrenoreceptors on isolated thoracic aorta from rat


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


(Rattus norvegicus (Rat))
BDBM50422384
PNG
(CHEMBL216443)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1cccc(CNCCCCCCNCCSSCCNCCCCCCNCc2cccc(c2)C(=O)N2CCN(CC2)c2nc(N)c3cc(OC)c(OC)cc3n2)c1
Show InChI InChI=1S/C60H84N14O6S2/c1-77-51-37-47-49(39-53(51)79-3)67-59(69-55(47)61)73-29-25-71(26-30-73)57(75)45-17-13-15-43(35-45)41-65-21-11-7-5-9-19-63-23-33-81-82-34-24-64-20-10-6-8-12-22-66-42-44-16-14-18-46(36-44)58(76)72-27-31-74(32-28-72)60-68-50-40-54(80-4)52(78-2)38-48(50)56(62)70-60/h13-18,35-40,63-66H,5-12,19-34,41-42H2,1-4H3,(H2,61,67,69)(H2,62,68,70)
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n/an/a 81n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Antagonist affinity [non competitive (irreversible)] at alpha-1D-adrenoreceptors on isolated thoracic aorta from rat


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


(Rattus norvegicus (Rat))
BDBM50057486
PNG
(2-[1-(3,4-Dimethoxy-benzyl)-6,7-dimethoxy-3,4-dihy...)
Show SMILES COc1ccc(CC2N(CCc3cc(OC)c(OC)cc23)c2nc(N)c3cc(OC)c(OC)cc3n2)cc1OC
Show InChI InChI=1S/C30H34N4O6/c1-35-23-8-7-17(12-24(23)36-2)11-22-19-14-26(38-4)25(37-3)13-18(19)9-10-34(22)30-32-21-16-28(40-6)27(39-5)15-20(21)29(31)33-30/h7-8,12-16,22H,9-11H2,1-6H3,(H2,31,32,33)
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n/an/a 1.55E+3n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Binding affinity was tested on cloned rat Alpha-1D adrenergic receptor


J Med Chem 40: 1293-315 (1997)

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


(Rattus norvegicus (Rat))
BDBM50422378
PNG
(CHEMBL122621)
Show SMILES COc1cccc(CNCCCCCCNCCSSCCNCCCCCCNCc2ccccc2OC)c1
Show InChI InChI=1S/C32H54N4O2S2/c1-37-31-16-13-14-29(26-31)27-35-20-11-5-3-9-18-33-22-24-39-40-25-23-34-19-10-4-6-12-21-36-28-30-15-7-8-17-32(30)38-2/h7-8,13-17,26,33-36H,3-6,9-12,18-25,27-28H2,1-2H3
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n/an/a 5.01E+3n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Antagonist affinity [non competitive (irreversible)] at alpha-1D-adrenoreceptors on isolated thoracic aorta from rat


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


(Rattus norvegicus (Rat))
BDBM50176526
PNG
(6-hydroxy-3-(3',5'-dihydroxyphenyl)coumarin | CHEM...)
Show SMILES Oc1ccc2oc(=O)c(cc2c1)-c1cc(O)cc(O)c1
Show InChI InChI=1S/C15H10O5/c16-10-1-2-14-9(5-10)6-13(15(19)20-14)8-3-11(17)7-12(18)4-8/h1-7,16-18H
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n/an/a 1.06E+4n/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Noradrenaline induced vasorelaxant activity in intact rat aortic rings


Bioorg Med Chem Lett 16: 257-61 (2005)

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


(Rattus norvegicus (Rat))
BDBM23926
PNG
((E)-resveratrol | 5-[(E)-2-(4-hydroxyphenyl)etheny...)
Show SMILES Oc1ccc(\C=C\c2cc(O)cc(O)c2)cc1
Show InChI InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+
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n/an/a 2.00E+4n/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Noradrenaline induced vasorelaxant activity in intact rat aortic rings


Bioorg Med Chem Lett 16: 257-61 (2005)

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


(Rattus norvegicus (Rat))
BDBM50176525
PNG
(7-hydroxy-3-(3',5'-dihydroxyphenyl)coumarin | CHEM...)
Show SMILES Oc1ccc2cc(-c3cc(O)cc(O)c3)c(=O)oc2c1
Show InChI InChI=1S/C15H10O5/c16-10-2-1-8-5-13(15(19)20-14(8)7-10)9-3-11(17)6-12(18)4-9/h1-7,16-18H
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n/an/a 3.89E+4n/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Noradrenaline induced vasorelaxant activity in intact rat aortic rings


Bioorg Med Chem Lett 16: 257-61 (2005)

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


(Rattus norvegicus (Rat))
BDBM50176528
PNG
(3-(3,5-dimethoxyphenyl)-7-hydroxy-2H-chromen-2-one...)
Show SMILES COc1cc(OC)cc(c1)-c1cc2ccc(O)cc2oc1=O
Show InChI InChI=1S/C17H14O5/c1-20-13-5-11(6-14(9-13)21-2)15-7-10-3-4-12(18)8-16(10)22-17(15)19/h3-9,18H,1-2H3
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n/an/a 3.98E+4n/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Noradrenaline induced vasorelaxant activity in intact rat aortic rings


Bioorg Med Chem Lett 16: 257-61 (2005)

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


(Rattus norvegicus (Rat))
BDBM50176523
PNG
(6-methoxy-3-(3',5'-dimethoxyphenyl)coumarin | CHEM...)
Show SMILES COc1ccc2oc(=O)c(cc2c1)-c1cc(OC)cc(OC)c1
Show InChI InChI=1S/C18H16O5/c1-20-13-4-5-17-12(8-13)9-16(18(19)23-17)11-6-14(21-2)10-15(7-11)22-3/h4-10H,1-3H3
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n/an/a 4.27E+4n/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Noradrenaline induced vasorelaxant activity in intact rat aortic rings


Bioorg Med Chem Lett 16: 257-61 (2005)

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


(Rattus norvegicus (Rat))
BDBM50176522
PNG
(7-methoxy-3-(3',5'-dimethoxyphenyl)coumarin | CHEM...)
Show SMILES COc1ccc2cc(-c3cc(OC)cc(OC)c3)c(=O)oc2c1
Show InChI InChI=1S/C18H16O5/c1-20-13-5-4-11-8-16(18(19)23-17(11)10-13)12-6-14(21-2)9-15(7-12)22-3/h4-10H,1-3H3
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n/an/a 5.25E+4n/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Noradrenaline induced vasorelaxant activity in intact rat aortic rings


Bioorg Med Chem Lett 16: 257-61 (2005)

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


(Rattus norvegicus (Rat))
BDBM50176527
PNG
(6,8-dihydroxy-3-(3',5'-dihydroxyphenyl)coumarin | ...)
Show SMILES Oc1cc(O)cc(c1)-c1cc2cc(O)cc(O)c2oc1=O
Show InChI InChI=1S/C15H10O6/c16-9-1-7(2-10(17)5-9)12-4-8-3-11(18)6-13(19)14(8)21-15(12)20/h1-6,16-19H
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n/an/a 9.55E+4n/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Noradrenaline induced vasorelaxant activity in intact rat aortic rings


Bioorg Med Chem Lett 16: 257-61 (2005)

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


(Rattus norvegicus (Rat))
BDBM50176524
PNG
(6,8-dimethoxy-3-(3',5'-dimethoxyphenyl)coumarin | ...)
Show SMILES COc1cc(OC)cc(c1)-c1cc2cc(OC)cc(OC)c2oc1=O
Show InChI InChI=1S/C19H18O6/c1-21-13-5-11(6-14(9-13)22-2)16-8-12-7-15(23-3)10-17(24-4)18(12)25-19(16)20/h5-10H,1-4H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Noradrenaline induced vasorelaxant activity in intact rat aortic rings


Bioorg Med Chem Lett 16: 257-61 (2005)

More data for this
Ligand-Target Pair