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PubMed code 11462977

Compile data set for download or QSAR
Found 21 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Alpha-1D adrenergic receptor


(Rattus norvegicus (Rat))		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

J Med Chem 44: 362-71 (2001)


BindingDB Entry DOI: 10.7270/Q289175Q
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

J Med Chem 44: 362-71 (2001)


BindingDB Entry DOI: 10.7270/Q289175Q
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

J Med Chem 44: 362-71 (2001)


BindingDB Entry DOI: 10.7270/Q289175Q
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

J Med Chem 44: 362-71 (2001)


BindingDB Entry DOI: 10.7270/Q289175Q
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

J Med Chem 44: 362-71 (2001)


BindingDB Entry DOI: 10.7270/Q289175Q
More data for this
Ligand-Target Pair
Alpha-1A 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 46n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Antagonist affinity [non competitive (irreversible)] at alpha-1A-adrenoreceptors on isolated prostatic Vas deferens from rat

J Med Chem 44: 362-71 (2001)


BindingDB Entry DOI: 10.7270/Q289175Q
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

J Med Chem 44: 362-71 (2001)


BindingDB Entry DOI: 10.7270/Q289175Q
More data for this
Ligand-Target Pair
Alpha-1B 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 1.74E+3n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


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

J Med Chem 44: 362-71 (2001)


BindingDB Entry DOI: 10.7270/Q289175Q
More data for this
Ligand-Target Pair
Alpha-1A 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 1.86E+3n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Antagonist affinity [non competitive (irreversible)] at alpha-1A-adrenoreceptors on isolated prostatic Vas deferens from rat

J Med Chem 44: 362-71 (2001)


BindingDB Entry DOI: 10.7270/Q289175Q
More data for this
Ligand-Target Pair
Alpha-1B 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 1.86E+3n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


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

J Med Chem 44: 362-71 (2001)


BindingDB Entry DOI: 10.7270/Q289175Q
More data for this
Ligand-Target Pair
Alpha-1A 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 2.00E+3n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Antagonist affinity [non competitive (irreversible)] at alpha-1A-adrenoreceptors on isolated prostatic Vas deferens from rat

J Med Chem 44: 362-71 (2001)


BindingDB Entry DOI: 10.7270/Q289175Q
More data for this
Ligand-Target Pair
Alpha-1B 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 2.14E+3n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


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

J Med Chem 44: 362-71 (2001)


BindingDB Entry DOI: 10.7270/Q289175Q
More data for this
Ligand-Target Pair
Alpha-1A 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 3.89E+3n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Antagonist affinity [non competitive (irreversible)] at alpha-1A-adrenoreceptors on isolated prostatic Vas deferens from rat

J Med Chem 44: 362-71 (2001)


BindingDB Entry DOI: 10.7270/Q289175Q
More data for this
Ligand-Target Pair
Alpha-1A 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 4.68E+3n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Antagonist affinity [non competitive (irreversible)] at alpha-1A-adrenoreceptors on isolated prostatic Vas deferens from rat

J Med Chem 44: 362-71 (2001)


BindingDB Entry DOI: 10.7270/Q289175Q
More data for this
Ligand-Target Pair
Alpha-1A 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 5.01E+3n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Antagonist affinity [non competitive (irreversible)] at alpha-1A-adrenoreceptors on isolated prostatic Vas deferens from rat

J Med Chem 44: 362-71 (2001)


BindingDB Entry DOI: 10.7270/Q289175Q
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

J Med Chem 44: 362-71 (2001)


BindingDB Entry DOI: 10.7270/Q289175Q
More data for this
Ligand-Target Pair
Alpha-1B 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 5.13E+3n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


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

J Med Chem 44: 362-71 (2001)


BindingDB Entry DOI: 10.7270/Q289175Q
More data for this
Ligand-Target Pair
Alpha-1A 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 1.62E+4n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Antagonist affinity [non competitive (irreversible)] at alpha-1A-adrenoreceptors on isolated prostatic Vas deferens from rat

J Med Chem 44: 362-71 (2001)


BindingDB Entry DOI: 10.7270/Q289175Q
More data for this
Ligand-Target Pair
Alpha-1B 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 4.17E+4n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


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

J Med Chem 44: 362-71 (2001)


BindingDB Entry DOI: 10.7270/Q289175Q
More data for this
Ligand-Target Pair
Alpha-1B 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 5.50E+4n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


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

J Med Chem 44: 362-71 (2001)


BindingDB Entry DOI: 10.7270/Q289175Q
More data for this
Ligand-Target Pair
Alpha-1B 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 6.76E+4n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


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

J Med Chem 44: 362-71 (2001)


BindingDB Entry DOI: 10.7270/Q289175Q
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%