Compile Data Set for Download or QSAR
Found 25 Enz. Inhib. hit(s) with all data for entry = 50041736
TargetAlpha-1D adrenergic receptor(Homo sapiens (Human))
University of Camerino

Curated by ChEMBL
LigandPNGBDBM50414396(CHEMBL564481)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN([C@H]2CCCC[C@@H]12)C(=O)C1COc2ccccc2O1
Show InChI InChI=1S/C27H31N5O5/c1-34-22-13-16-17(14-23(22)35-2)29-27(30-25(16)28)32-12-11-31(18-7-3-4-8-19(18)32)26(33)24-15-36-20-9-5-6-10-21(20)37-24/h5-6,9-10,13-14,18-19,24H,3-4,7-8,11-12,15H2,1-2H3,(H2,28,29,30)/t18-,19+,24?/m0/s1
Affinity DataKi:  0.170nMAssay Description:Displacement of [3H]prazosin from human Alpha-1D adrenoceptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetAlpha-1D adrenergic receptor(Homo sapiens (Human))
University of Camerino

Curated by ChEMBL
LigandPNGBDBM50403649(CYCLAZOSIN)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN([C@H]2CCCC[C@@H]12)C(=O)c1ccco1
Show InChI InChI=1S/C23H27N5O4/c1-30-19-12-14-15(13-20(19)31-2)25-23(26-21(14)24)28-10-9-27(16-6-3-4-7-17(16)28)22(29)18-8-5-11-32-18/h5,8,11-13,16-17H,3-4,6-7,9-10H2,1-2H3,(H2,24,25,26)/t16-,17+/m0/s1
Affinity DataKi:  0.170nMAssay Description:Displacement of [3H]prazosin from human Alpha-1D adrenoceptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetAlpha-1B adrenergic receptor(Homo sapiens (Human))
University of Camerino

Curated by ChEMBL
LigandPNGBDBM50403649(CYCLAZOSIN)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN([C@H]2CCCC[C@@H]12)C(=O)c1ccco1
Show InChI InChI=1S/C23H27N5O4/c1-30-19-12-14-15(13-20(19)31-2)25-23(26-21(14)24)28-10-9-27(16-6-3-4-7-17(16)28)22(29)18-8-5-11-32-18/h5,8,11-13,16-17H,3-4,6-7,9-10H2,1-2H3,(H2,24,25,26)/t16-,17+/m0/s1
Affinity DataKi:  0.324nMAssay Description:Displacement of [3H]prazosin from human Alpha-1B adrenoceptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetAlpha-1B adrenergic receptor(Homo sapiens (Human))
University of Camerino

Curated by ChEMBL
LigandPNGBDBM50414396(CHEMBL564481)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN([C@H]2CCCC[C@@H]12)C(=O)C1COc2ccccc2O1
Show InChI InChI=1S/C27H31N5O5/c1-34-22-13-16-17(14-23(22)35-2)29-27(30-25(16)28)32-12-11-31(18-7-3-4-8-19(18)32)26(33)24-15-36-20-9-5-6-10-21(20)37-24/h5-6,9-10,13-14,18-19,24H,3-4,7-8,11-12,15H2,1-2H3,(H2,28,29,30)/t18-,19+,24?/m0/s1
Affinity DataKi:  0.417nMAssay Description:Displacement of [3H]prazosin from human Alpha-1B adrenoceptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetAlpha-1D adrenergic receptor(Homo sapiens (Human))
University of Camerino

Curated by ChEMBL
LigandPNGBDBM50414397(CHEMBL558890)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN([C@@H]2CCCC[C@H]12)C(=O)C1COc2ccccc2O1
Show InChI InChI=1S/C27H31N5O5/c1-34-22-13-16-17(14-23(22)35-2)29-27(30-25(16)28)32-12-11-31(18-7-3-4-8-19(18)32)26(33)24-15-36-20-9-5-6-10-21(20)37-24/h5-6,9-10,13-14,18-19,24H,3-4,7-8,11-12,15H2,1-2H3,(H2,28,29,30)/t18-,19+,24?/m1/s1
Affinity DataKi:  0.490nMAssay Description:Displacement of [3H]prazosin from human Alpha-1D adrenoceptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetAlpha-1A adrenergic receptor(Homo sapiens (Human))
University of Camerino

Curated by ChEMBL
LigandPNGBDBM86731(CAS_74191-85-8 | Doxazosin | UK 33,274)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2ccccc2O1
Show InChI InChI=1S/C23H25N5O5/c1-30-18-11-14-15(12-19(18)31-2)25-23(26-21(14)24)28-9-7-27(8-10-28)22(29)20-13-32-16-5-3-4-6-17(16)33-20/h3-6,11-12,20H,7-10,13H2,1-2H3,(H2,24,25,26)
Affinity DataKi:  0.537nMAssay Description:Displacement of [3H]prazosin from human alpha1A adrenoceptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetAlpha-1D adrenergic receptor(Homo sapiens (Human))
University of Camerino

Curated by ChEMBL
LigandPNGBDBM86731(CAS_74191-85-8 | Doxazosin | UK 33,274)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2ccccc2O1
Show InChI InChI=1S/C23H25N5O5/c1-30-18-11-14-15(12-19(18)31-2)25-23(26-21(14)24)28-9-7-27(8-10-28)22(29)20-13-32-16-5-3-4-6-17(16)33-20/h3-6,11-12,20H,7-10,13H2,1-2H3,(H2,24,25,26)
Affinity DataKi:  0.813nMAssay Description:Displacement of [3H]prazosin from human Alpha-1D adrenoceptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetAlpha-1B adrenergic receptor(Homo sapiens (Human))
University of Camerino

Curated by ChEMBL
LigandPNGBDBM86731(CAS_74191-85-8 | Doxazosin | UK 33,274)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2ccccc2O1
Show InChI InChI=1S/C23H25N5O5/c1-30-18-11-14-15(12-19(18)31-2)25-23(26-21(14)24)28-9-7-27(8-10-28)22(29)20-13-32-16-5-3-4-6-17(16)33-20/h3-6,11-12,20H,7-10,13H2,1-2H3,(H2,24,25,26)
Affinity DataKi:  0.813nMAssay Description:Displacement of [3H]prazosin from human Alpha-1B adrenoceptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetAlpha-1B adrenergic receptor(Homo sapiens (Human))
University of Camerino

Curated by ChEMBL
LigandPNGBDBM50414399(CHEMBL561851)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N(C)CCCCCCN(C)C(=O)C1COc2ccccc2O1
Show InChI InChI=1S/C27H35N5O5/c1-31(26(33)24-17-36-20-11-7-8-12-21(20)37-24)13-9-5-6-10-14-32(2)27-29-19-16-23(35-4)22(34-3)15-18(19)25(28)30-27/h7-8,11-12,15-16,24H,5-6,9-10,13-14,17H2,1-4H3,(H2,28,29,30)
Affinity DataKi:  0.933nMAssay Description:Displacement of [3H]prazosin from human Alpha-1B adrenoceptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetAlpha-1B adrenergic receptor(Homo sapiens (Human))
University of Camerino

Curated by ChEMBL
LigandPNGBDBM50414397(CHEMBL558890)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN([C@@H]2CCCC[C@H]12)C(=O)C1COc2ccccc2O1
Show InChI InChI=1S/C27H31N5O5/c1-34-22-13-16-17(14-23(22)35-2)29-27(30-25(16)28)32-12-11-31(18-7-3-4-8-19(18)32)26(33)24-15-36-20-9-5-6-10-21(20)37-24/h5-6,9-10,13-14,18-19,24H,3-4,7-8,11-12,15H2,1-2H3,(H2,28,29,30)/t18-,19+,24?/m1/s1
Affinity DataKi:  1.41nMAssay Description:Displacement of [3H]prazosin from human Alpha-1B adrenoceptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetAlpha-1D adrenergic receptor(Homo sapiens (Human))
University of Camerino

Curated by ChEMBL
LigandPNGBDBM50414399(CHEMBL561851)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N(C)CCCCCCN(C)C(=O)C1COc2ccccc2O1
Show InChI InChI=1S/C27H35N5O5/c1-31(26(33)24-17-36-20-11-7-8-12-21(20)37-24)13-9-5-6-10-14-32(2)27-29-19-16-23(35-4)22(34-3)15-18(19)25(28)30-27/h7-8,11-12,15-16,24H,5-6,9-10,13-14,17H2,1-4H3,(H2,28,29,30)
Affinity DataKi:  1.58nMAssay Description:Displacement of [3H]prazosin from human Alpha-1D adrenoceptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetAlpha-1A adrenergic receptor(Homo sapiens (Human))
University of Camerino

Curated by ChEMBL
LigandPNGBDBM50414399(CHEMBL561851)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N(C)CCCCCCN(C)C(=O)C1COc2ccccc2O1
Show InChI InChI=1S/C27H35N5O5/c1-31(26(33)24-17-36-20-11-7-8-12-21(20)37-24)13-9-5-6-10-14-32(2)27-29-19-16-23(35-4)22(34-3)15-18(19)25(28)30-27/h7-8,11-12,15-16,24H,5-6,9-10,13-14,17H2,1-4H3,(H2,28,29,30)
Affinity DataKi:  1.86nMAssay Description:Displacement of [3H]prazosin from human alpha1A adrenoceptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetAlpha-1A adrenergic receptor(Homo sapiens (Human))
University of Camerino

Curated by ChEMBL
LigandPNGBDBM50414396(CHEMBL564481)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN([C@H]2CCCC[C@@H]12)C(=O)C1COc2ccccc2O1
Show InChI InChI=1S/C27H31N5O5/c1-34-22-13-16-17(14-23(22)35-2)29-27(30-25(16)28)32-12-11-31(18-7-3-4-8-19(18)32)26(33)24-15-36-20-9-5-6-10-21(20)37-24/h5-6,9-10,13-14,18-19,24H,3-4,7-8,11-12,15H2,1-2H3,(H2,28,29,30)/t18-,19+,24?/m0/s1
Affinity DataKi:  2.82nMAssay Description:Displacement of [3H]prazosin from human alpha1A adrenoceptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetAlpha-1A adrenergic receptor(Homo sapiens (Human))
University of Camerino

Curated by ChEMBL
LigandPNGBDBM50414397(CHEMBL558890)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN([C@@H]2CCCC[C@H]12)C(=O)C1COc2ccccc2O1
Show InChI InChI=1S/C27H31N5O5/c1-34-22-13-16-17(14-23(22)35-2)29-27(30-25(16)28)32-12-11-31(18-7-3-4-8-19(18)32)26(33)24-15-36-20-9-5-6-10-21(20)37-24/h5-6,9-10,13-14,18-19,24H,3-4,7-8,11-12,15H2,1-2H3,(H2,28,29,30)/t18-,19+,24?/m1/s1
Affinity DataKi:  3.39nMAssay Description:Displacement of [3H]prazosin from human alpha1A adrenoceptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetAlpha-1A adrenergic receptor(Homo sapiens (Human))
University of Camerino

Curated by ChEMBL
LigandPNGBDBM50403649(CYCLAZOSIN)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN([C@H]2CCCC[C@@H]12)C(=O)c1ccco1
Show InChI InChI=1S/C23H27N5O4/c1-30-19-12-14-15(13-20(19)31-2)25-23(26-21(14)24)28-10-9-27(16-6-3-4-7-17(16)28)22(29)18-8-5-11-32-18/h5,8,11-13,16-17H,3-4,6-7,9-10H2,1-2H3,(H2,24,25,26)/t16-,17+/m0/s1
Affinity DataKi:  5.5nMAssay Description:Displacement of [3H]prazosin from human alpha1A adrenoceptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetAlpha-1B adrenergic receptor(Homo sapiens (Human))
University of Camerino

Curated by ChEMBL
LigandPNGBDBM50414398(CHEMBL549764)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN([C@H]2CCCC[C@H]12)C(=O)C1COc2ccccc2O1
Show InChI InChI=1S/C27H31N5O5/c1-34-22-13-16-17(14-23(22)35-2)29-27(30-25(16)28)32-12-11-31(18-7-3-4-8-19(18)32)26(33)24-15-36-20-9-5-6-10-21(20)37-24/h5-6,9-10,13-14,18-19,24H,3-4,7-8,11-12,15H2,1-2H3,(H2,28,29,30)/t18-,19-,24?/m0/s1
Affinity DataKi:  22.4nMAssay Description:Displacement of [3H]prazosin from human Alpha-1B adrenoceptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetAlpha-1D adrenergic receptor(Homo sapiens (Human))
University of Camerino

Curated by ChEMBL
LigandPNGBDBM50414398(CHEMBL549764)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN([C@H]2CCCC[C@H]12)C(=O)C1COc2ccccc2O1
Show InChI InChI=1S/C27H31N5O5/c1-34-22-13-16-17(14-23(22)35-2)29-27(30-25(16)28)32-12-11-31(18-7-3-4-8-19(18)32)26(33)24-15-36-20-9-5-6-10-21(20)37-24/h5-6,9-10,13-14,18-19,24H,3-4,7-8,11-12,15H2,1-2H3,(H2,28,29,30)/t18-,19-,24?/m0/s1
Affinity DataKi:  26.3nMAssay Description:Displacement of [3H]prazosin from human Alpha-1D adrenoceptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetAlpha-1A adrenergic receptor(Homo sapiens (Human))
University of Camerino

Curated by ChEMBL
LigandPNGBDBM50414398(CHEMBL549764)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN([C@H]2CCCC[C@H]12)C(=O)C1COc2ccccc2O1
Show InChI InChI=1S/C27H31N5O5/c1-34-22-13-16-17(14-23(22)35-2)29-27(30-25(16)28)32-12-11-31(18-7-3-4-8-19(18)32)26(33)24-15-36-20-9-5-6-10-21(20)37-24/h5-6,9-10,13-14,18-19,24H,3-4,7-8,11-12,15H2,1-2H3,(H2,28,29,30)/t18-,19-,24?/m0/s1
Affinity DataKi:  81.3nMAssay Description:Displacement of [3H]prazosin from human alpha1A adrenoceptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetAlpha-1D adrenergic receptor(Rattus norvegicus (Rat))
University of Camerino

Curated by ChEMBL
LigandPNGBDBM50414396(CHEMBL564481)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN([C@H]2CCCC[C@@H]12)C(=O)C1COc2ccccc2O1
Show InChI InChI=1S/C27H31N5O5/c1-34-22-13-16-17(14-23(22)35-2)29-27(30-25(16)28)32-12-11-31(18-7-3-4-8-19(18)32)26(33)24-15-36-20-9-5-6-10-21(20)37-24/h5-6,9-10,13-14,18-19,24H,3-4,7-8,11-12,15H2,1-2H3,(H2,28,29,30)/t18-,19+,24?/m0/s1
Affinity DataKd:  40.7nMAssay Description:Antagonist activity at rat Alpha-1D adrenoceptor assessed as inhibition if norepenephrine-induced contraction of thoracic aortaMore data for this Ligand-Target Pair
TargetAlpha-1D adrenergic receptor(Rattus norvegicus (Rat))
University of Camerino

Curated by ChEMBL
LigandPNGBDBM50403649(CYCLAZOSIN)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN([C@H]2CCCC[C@@H]12)C(=O)c1ccco1
Show InChI InChI=1S/C23H27N5O4/c1-30-19-12-14-15(13-20(19)31-2)25-23(26-21(14)24)28-10-9-27(16-6-3-4-7-17(16)28)22(29)18-8-5-11-32-18/h5,8,11-13,16-17H,3-4,6-7,9-10H2,1-2H3,(H2,24,25,26)/t16-,17+/m0/s1
Affinity DataKd:  0.617nMAssay Description:Antagonist activity at rat Alpha-1D adrenoceptor assessed as inhibition if norepenephrine-induced contraction of thoracic aortaMore data for this Ligand-Target Pair
TargetAlpha-1B adrenergic receptor(Rattus norvegicus (rat))
University of Camerino

Curated by ChEMBL
LigandPNGBDBM86731(CAS_74191-85-8 | Doxazosin | UK 33,274)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2ccccc2O1
Show InChI InChI=1S/C23H25N5O5/c1-30-18-11-14-15(12-19(18)31-2)25-23(26-21(14)24)28-9-7-27(8-10-28)22(29)20-13-32-16-5-3-4-6-17(16)33-20/h3-6,11-12,20H,7-10,13H2,1-2H3,(H2,24,25,26)
Affinity DataKd:  0.309nMAssay Description:Antagonist activity at rat Alpha-1B adrenoceptor assessed as inhibition if phenylephrine-induced contraction of spleenMore data for this Ligand-Target Pair
TargetAlpha-1B adrenergic receptor(Rattus norvegicus (rat))
University of Camerino

Curated by ChEMBL
LigandPNGBDBM50403649(CYCLAZOSIN)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN([C@H]2CCCC[C@@H]12)C(=O)c1ccco1
Show InChI InChI=1S/C23H27N5O4/c1-30-19-12-14-15(13-20(19)31-2)25-23(26-21(14)24)28-10-9-27(16-6-3-4-7-17(16)28)22(29)18-8-5-11-32-18/h5,8,11-13,16-17H,3-4,6-7,9-10H2,1-2H3,(H2,24,25,26)/t16-,17+/m0/s1
Affinity DataKd:  0.661nMAssay Description:Antagonist activity at rat Alpha-1B adrenoceptor assessed as inhibition if phenylephrine-induced contraction of spleenMore data for this Ligand-Target Pair
TargetAlpha-1A adrenergic receptor(Rattus norvegicus (Rat))
University of Camerino

Curated by ChEMBL
LigandPNGBDBM50403649(CYCLAZOSIN)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN([C@H]2CCCC[C@@H]12)C(=O)c1ccco1
Show InChI InChI=1S/C23H27N5O4/c1-30-19-12-14-15(13-20(19)31-2)25-23(26-21(14)24)28-10-9-27(16-6-3-4-7-17(16)28)22(29)18-8-5-11-32-18/h5,8,11-13,16-17H,3-4,6-7,9-10H2,1-2H3,(H2,24,25,26)/t16-,17+/m0/s1
Affinity DataKd:  1.23nMAssay Description:Antagonist activity at rat alpha1A adrenoceptor assessed as inhibition if norepinephrine-induced contraction of vas deferenceMore data for this Ligand-Target Pair
TargetAlpha-1D adrenergic receptor(Rattus norvegicus (Rat))
University of Camerino

Curated by ChEMBL
LigandPNGBDBM86731(CAS_74191-85-8 | Doxazosin | UK 33,274)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2ccccc2O1
Show InChI InChI=1S/C23H25N5O5/c1-30-18-11-14-15(12-19(18)31-2)25-23(26-21(14)24)28-9-7-27(8-10-28)22(29)20-13-32-16-5-3-4-6-17(16)33-20/h3-6,11-12,20H,7-10,13H2,1-2H3,(H2,24,25,26)
Affinity DataKd:  1.07nMAssay Description:Antagonist activity at rat Alpha-1D adrenoceptor assessed as inhibition if norepenephrine-induced contraction of thoracic aortaMore data for this Ligand-Target Pair
TargetAlpha-1A adrenergic receptor(Rattus norvegicus (Rat))
University of Camerino

Curated by ChEMBL
LigandPNGBDBM86731(CAS_74191-85-8 | Doxazosin | UK 33,274)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2ccccc2O1
Show InChI InChI=1S/C23H25N5O5/c1-30-18-11-14-15(12-19(18)31-2)25-23(26-21(14)24)28-9-7-27(8-10-28)22(29)20-13-32-16-5-3-4-6-17(16)33-20/h3-6,11-12,20H,7-10,13H2,1-2H3,(H2,24,25,26)
Affinity DataKd:  2.04nMAssay Description:Antagonist activity at rat alpha1A adrenoceptor assessed as inhibition if norepinephrine-induced contraction of vas deferenceMore data for this Ligand-Target Pair