Compile Data Set for Download or QSAR
Found 2129 Enz. Inhib. hit(s) with Target = 'Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor'
TargetAlpha-1A/Alpha-1B/Alpha-1D adrenergic receptor(Rattus norvegicus (rat))
Università di Pisa

Curated by ChEMBL
LigandPNGBDBM50122243(4-Chloro-5-[4-(furan-2-carbonyl)-piperazin-1-yl]-2...)
Show SMILES CC(C)Oc1ccccc1N1CCN(CCCCCCCn2ncc(N3CCN(CC3)C(=O)c3ccco3)c(Cl)c2=O)CC1
Show InChI InChI=1S/C33H45ClN6O4/c1-26(2)44-29-12-7-6-11-27(29)37-18-16-36(17-19-37)14-8-4-3-5-9-15-40-33(42)31(34)28(25-35-40)38-20-22-39(23-21-38)32(41)30-13-10-24-43-30/h6-7,10-13,24-26H,3-5,8-9,14-23H2,1-2H3
Affinity DataKi:  0.0520nMAssay Description:Binding affinity towards Alpha-1 adrenergic receptor in rat cerebral cortex using [3H]prazosinMore data for this Ligand-Target Pair
TargetAlpha-1A/Alpha-1B/Alpha-1D adrenergic receptor(Rattus norvegicus (rat))
Università di Pisa

Curated by ChEMBL
LigandPNGBDBM50230846(CHEMBL2114071)
Show SMILES CN1C(=O)N2C(CN3CCN(CC3)c3ccccc3Cl)CN=C2c2ccccc12
Show InChI InChI=1S/C22H24ClN5O/c1-25-19-8-4-2-6-17(19)21-24-14-16(28(21)22(25)29)15-26-10-12-27(13-11-26)20-9-5-3-7-18(20)23/h2-9,16H,10-15H2,1H3
Affinity DataKi:  0.0680nMAssay Description:Binding affinity against alpha-1 adrenergic receptor by measuring displacement of [3H]prazosin from rat brain cortex membranes (in vitro).More data for this Ligand-Target Pair
TargetAlpha-1A/Alpha-1B/Alpha-1D adrenergic receptor(Rattus norvegicus (rat))
Università di Pisa

Curated by ChEMBL
LigandPNGBDBM50230859(CHEMBL309150)
Show SMILES COC1=Nc2ccccc2C2=NC(CN3CCN(CC3)c3ccccc3OC)CN12
Show InChI InChI=1S/C23H27N5O2/c1-29-21-10-6-5-9-20(21)27-13-11-26(12-14-27)15-17-16-28-22(24-17)18-7-3-4-8-19(18)25-23(28)30-2/h3-10,17H,11-16H2,1-2H3
Affinity DataKi:  0.0700nMAssay Description:Binding affinity against alpha-1 adrenergic receptor by measuring displacement of [3H]prazosin from rat brain cortex membranes (in vitro).More data for this Ligand-Target Pair
TargetAlpha-1A/Alpha-1B/Alpha-1D adrenergic receptor(Rattus norvegicus (rat))
Università di Pisa

Curated by ChEMBL
LigandPNGBDBM50226239(CHEMBL50451)
Show SMILES COc1nc(OC)nc(n1)N1CCN(CC1)c1nc(N)c2cc(OC)c(OC)cc2n1
Show InChI InChI=1S/C19H24N8O4/c1-28-13-9-11-12(10-14(13)29-2)21-16(22-15(11)20)26-5-7-27(8-6-26)17-23-18(30-3)25-19(24-17)31-4/h9-10H,5-8H2,1-4H3,(H2,20,21,22)
Affinity DataKi:  0.0800nMAssay Description:Binding affinity against alpha-1-adrenoceptor in rat brain homogenates [3H]-prazosin displacement.More data for this Ligand-Target Pair
TargetAlpha-1A/Alpha-1B/Alpha-1D adrenergic receptor(Rattus norvegicus (rat))
Università di Pisa

Curated by ChEMBL
LigandPNGBDBM50226814(CHEMBL6424)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCC(CC1)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C24H29N5O3/c1-31-20-14-18-19(15-21(20)32-2)27-24(28-22(18)25)29-12-9-17(10-13-29)23(30)26-11-8-16-6-4-3-5-7-16/h3-7,14-15,17H,8-13H2,1-2H3,(H,26,30)(H2,25,27,28)
Affinity DataKi:  0.100nMAssay Description:In vitro binding affinity determined for alpha-1 adrenergic receptor by the displacement of [3H]- prazosin.More data for this Ligand-Target Pair
TargetAlpha-1A/Alpha-1B/Alpha-1D adrenergic receptor(Rattus norvegicus (rat))
Università di Pisa

Curated by ChEMBL
LigandPNGBDBM50230848(CHEMBL70872)
Show SMILES COC1=Nc2ccccc2C2=NC(CN3CCN(CC3)c3ccccc3Cl)CN12
Show InChI InChI=1S/C22H24ClN5O/c1-29-22-25-19-8-4-2-6-17(19)21-24-16(15-28(21)22)14-26-10-12-27(13-11-26)20-9-5-3-7-18(20)23/h2-9,16H,10-15H2,1H3
Affinity DataKi:  0.110nMAssay Description:Binding affinity against alpha-1 adrenergic receptor by measuring displacement of [3H]prazosin from rat brain cortex membranes (in vitro).More data for this Ligand-Target Pair
TargetAlpha-1A/Alpha-1B/Alpha-1D adrenergic receptor(Rattus norvegicus (rat))
Università di Pisa

Curated by ChEMBL
LigandPNGBDBM50227376(CHEMBL8689)
Show SMILES COc1cc2nc(cc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C20H22N4O4/c1-26-17-10-13-14(21)11-19(22-15(13)12-18(17)27-2)23-5-7-24(8-6-23)20(25)16-4-3-9-28-16/h3-4,9-12H,5-8H2,1-2H3,(H2,21,22)
Affinity DataKi:  0.140nMAssay Description:Binding affinity towards alpha-1 adrenergic receptor from rat brain homogenate preparation by displacement of [3H]prazosinMore data for this Ligand-Target Pair
TargetAlpha-1A/Alpha-1B/Alpha-1D adrenergic receptor(Rattus norvegicus (rat))
Università di Pisa

Curated by ChEMBL
LigandPNGBDBM50227298(CHEMBL147255)
Show SMILES CCOC(C)(COC1CCN(CC1)c1nc(N)c2cc(OC)c(OC)cc2n1)c1ccccc1
Show InChI InChI=1S/C26H34N4O4/c1-5-34-26(2,18-9-7-6-8-10-18)17-33-19-11-13-30(14-12-19)25-28-21-16-23(32-4)22(31-3)15-20(21)24(27)29-25/h6-10,15-16,19H,5,11-14,17H2,1-4H3,(H2,27,28,29)
Affinity DataKi:  0.150nMAssay Description:Binding affinity for alpha-1 adrenergic receptor by displacement of [3H]-prazosin from rat brain homogenate preparationMore data for this Ligand-Target Pair
TargetAlpha-1A/Alpha-1B/Alpha-1D adrenergic receptor(Rattus norvegicus (rat))
Università di Pisa

Curated by ChEMBL
LigandPNGBDBM29568(CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)
Affinity DataKi:  0.150nMAssay Description:Binding affinity for alpha-1 adrenergic receptor by displacement of [3H]-prazosin from rat brain homogenate preparationMore data for this Ligand-Target Pair
TargetAlpha-1A/Alpha-1B/Alpha-1D adrenergic receptor(Rattus norvegicus (rat))
Università di Pisa

Curated by ChEMBL
LigandPNGBDBM50227290(CHEMBL148457)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCC(CC1)OCC(O)c1ccccc1
Show InChI InChI=1S/C23H28N4O4/c1-29-20-12-17-18(13-21(20)30-2)25-23(26-22(17)24)27-10-8-16(9-11-27)31-14-19(28)15-6-4-3-5-7-15/h3-7,12-13,16,19,28H,8-11,14H2,1-2H3,(H2,24,25,26)
Affinity DataKi:  0.150nMAssay Description:Binding affinity for alpha-1 adrenergic receptor by displacement of [3H]-prazosin from rat brain homogenate preparationMore data for this Ligand-Target Pair
TargetAlpha-1A/Alpha-1B/Alpha-1D adrenergic receptor(Rattus norvegicus (rat))
Università di Pisa

Curated by ChEMBL
LigandPNGBDBM29568(CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)
Affinity DataKi:  0.160nMAssay Description:Compound was tested for the inhibition of [3H]prazosin binding Alpha-1 adrenergic receptor of crude rat brain membrane.More data for this Ligand-Target Pair
TargetAlpha-1A/Alpha-1B/Alpha-1D adrenergic receptor(Rattus norvegicus (rat))
Università di Pisa

Curated by ChEMBL
LigandPNGBDBM50226234(CHEMBL50979)
Show SMILES COc1cc(nc(OC)n1)N1CCN(CC1)c1nc(N)c2cc(OC)c(OC)cc2n1
Show InChI InChI=1S/C20H25N7O4/c1-28-14-9-12-13(10-15(14)29-2)22-19(25-18(12)21)27-7-5-26(6-8-27)16-11-17(30-3)24-20(23-16)31-4/h9-11H,5-8H2,1-4H3,(H2,21,22,25)
Affinity DataKi:  0.160nMAssay Description:Binding affinity against alpha-1-adrenoceptor in rat brain homogenates [3H]-prazosin displacement.More data for this Ligand-Target Pair
TargetAlpha-1A/Alpha-1B/Alpha-1D adrenergic receptor(Rattus norvegicus (rat))
Università di Pisa

Curated by ChEMBL
LigandPNGBDBM50226227(CHEMBL52155)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)c1cnccn1
Show InChI InChI=1S/C18H21N7O2/c1-26-14-9-12-13(10-15(14)27-2)22-18(23-17(12)19)25-7-5-24(6-8-25)16-11-20-3-4-21-16/h3-4,9-11H,5-8H2,1-2H3,(H2,19,22,23)
Affinity DataKi:  0.180nMAssay Description:Binding affinity against alpha-1-adrenoceptor in rat brain homogenates [3H]-prazosin displacement.More data for this Ligand-Target Pair
TargetAlpha-1A/Alpha-1B/Alpha-1D adrenergic receptor(Rattus norvegicus (rat))
Università di Pisa

Curated by ChEMBL
LigandPNGBDBM50226235(CHEMBL54288)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)c1cc(OC(C)C)ncn1
Show InChI InChI=1S/C21H27N7O3/c1-13(2)31-19-11-18(23-12-24-19)27-5-7-28(8-6-27)21-25-15-10-17(30-4)16(29-3)9-14(15)20(22)26-21/h9-13H,5-8H2,1-4H3,(H2,22,25,26)
Affinity DataKi:  0.180nMAssay Description:Binding affinity against alpha-1-adrenoceptor in rat brain homogenates [3H]-prazosin displacement.More data for this Ligand-Target Pair
TargetAlpha-1A/Alpha-1B/Alpha-1D adrenergic receptor(Rattus norvegicus (rat))
Università di Pisa

Curated by ChEMBL
LigandPNGBDBM29568(CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)
Affinity DataKi:  0.190nMAssay Description:Compound was tested for its binding affinity for alpha-1 adrenergic receptor site by displacement of [3H]clonidine at 10e-6 M concentrationMore data for this Ligand-Target Pair
TargetAlpha-1A/Alpha-1B/Alpha-1D adrenergic receptor(Rattus norvegicus (rat))
Università di Pisa

Curated by ChEMBL
LigandPNGBDBM50109058(1H-4-indolyl 2-[4-(1H-3-indolyl)-1,2,3,6-tetrahydr...)
Show SMILES C(CN1CCC(=CC1)c1c[nH]c2ccccc12)Oc1cccc2[nH]ccc12
Show InChI InChI=1S/C23H23N3O/c1-2-5-21-18(4-1)20(16-25-21)17-9-12-26(13-10-17)14-15-27-23-7-3-6-22-19(23)8-11-24-22/h1-9,11,16,24-25H,10,12-15H2
Affinity DataKi:  0.190nMAssay Description:In vitro binding affinity towards Alpha-1 adrenergic receptor was determined by the displacement of [3H]prazosinMore data for this Ligand-Target Pair
TargetAlpha-1A/Alpha-1B/Alpha-1D adrenergic receptor(Rattus norvegicus (rat))
Università di Pisa

Curated by ChEMBL
LigandPNGBDBM29568(CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)
Affinity DataKi:  0.190nMAssay Description:In vitro binding affinity determined for alpha-1 adrenergic receptor by the displacement of [3H]- prazosin.More data for this Ligand-Target Pair
TargetAlpha-1A/Alpha-1B/Alpha-1D adrenergic receptor(Rattus norvegicus (rat))
Università di Pisa

Curated by ChEMBL
LigandPNGBDBM29568(CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)
Affinity DataKi:  0.190nMAssay Description:Binding affinity against alpha-1-adrenoceptor was determined by displacement of [3H]-prazosin in rat brain homogenates.More data for this Ligand-Target Pair
TargetAlpha-1A/Alpha-1B/Alpha-1D adrenergic receptor(Rattus norvegicus (rat))
Università di Pisa

Curated by ChEMBL
LigandPNGBDBM29568(CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)
Affinity DataKi:  0.190nMAssay Description:Binding affinity against alpha-1 adrenergic receptor by measuring displacement of [3H]prazosin from rat brain cortex membranes (in vitro).More data for this Ligand-Target Pair
TargetAlpha-1A/Alpha-1B/Alpha-1D adrenergic receptor(Rattus norvegicus (rat))
Università di Pisa

Curated by ChEMBL
LigandPNGBDBM29568(CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)
Affinity DataKi:  0.190nMAssay Description:Binding affinity to Alpha-1 adrenergic receptor by displacement of [3H]prazosinMore data for this Ligand-Target Pair
TargetAlpha-1A/Alpha-1B/Alpha-1D adrenergic receptor(Rattus norvegicus (rat))
Università di Pisa

Curated by ChEMBL
LigandPNGBDBM29568(CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)
Affinity DataKi:  0.190nMAssay Description:Binding affinity towards alpha-1 adrenergic receptor from rat brain homogenate preparation by displacement of [3H]prazosinMore data for this Ligand-Target Pair
TargetAlpha-1A/Alpha-1B/Alpha-1D adrenergic receptor(Rattus norvegicus (rat))
Università di Pisa

Curated by ChEMBL
LigandPNGBDBM50226233(CHEMBL275524)
Show SMILES COc1ccnc(n1)N1CCN(CC1)c1nc(N)c2cc(OC)c(OC)cc2n1
Show InChI InChI=1S/C19H23N7O3/c1-27-14-10-12-13(11-15(14)28-2)22-19(24-17(12)20)26-8-6-25(7-9-26)18-21-5-4-16(23-18)29-3/h4-5,10-11H,6-9H2,1-3H3,(H2,20,22,24)
Affinity DataKi:  0.190nMAssay Description:Binding affinity against alpha-1-adrenoceptor in rat brain homogenates [3H]-prazosin displacement.More data for this Ligand-Target Pair
TargetAlpha-1A/Alpha-1B/Alpha-1D adrenergic receptor(Rattus norvegicus (rat))
Università di Pisa

Curated by ChEMBL
LigandPNGBDBM50226844(CHEMBL415288)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCC(CC1)C(=O)N(C)Cc1ccccc1
Show InChI InChI=1S/C24H29N5O3/c1-28(15-16-7-5-4-6-8-16)23(30)17-9-11-29(12-10-17)24-26-19-14-21(32-3)20(31-2)13-18(19)22(25)27-24/h4-8,13-14,17H,9-12,15H2,1-3H3,(H2,25,26,27)
Affinity DataKi:  0.200nMAssay Description:In vitro binding affinity determined for alpha-1 adrenergic receptor by the displacement of [3H]- prazosin.More data for this Ligand-Target Pair
TargetAlpha-1A/Alpha-1B/Alpha-1D adrenergic receptor(Rattus norvegicus (rat))
Università di Pisa

Curated by ChEMBL
LigandPNGBDBM50006952(2-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c4ccccc4[nH]c3c2=O)CC1
Show InChI InChI=1S/C23H25N5O3/c1-31-19-9-5-4-8-18(19)27-13-10-26(11-14-27)12-15-28-22(29)21-20(25-23(28)30)16-6-2-3-7-17(16)24-21/h2-9,24H,10-15H2,1H3,(H,25,30)
Affinity DataKi:  0.210nMAssay Description:Alpha-1-adrenergic receptor binding affinity of the compound, value taken from literatureMore data for this Ligand-Target Pair
TargetAlpha-1A/Alpha-1B/Alpha-1D adrenergic receptor(Rattus norvegicus (rat))
Università di Pisa

Curated by ChEMBL
LigandPNGBDBM50066109(3-[4-(2-Methoxy-phenyl)-piperazin-1-ylmethyl]-2,6-...)
Show SMILES COc1ccccc1N1CCN(CC2CN=C3N2C(=O)Nc2ccccc32)CC1
Show InChI InChI=1S/C22H25N5O2/c1-29-20-9-5-4-8-19(20)26-12-10-25(11-13-26)15-16-14-23-21-17-6-2-3-7-18(17)24-22(28)27(16)21/h2-9,16H,10-15H2,1H3,(H,24,28)
Affinity DataKi:  0.210nMAssay Description:Binding affinity against alpha-1 adrenergic receptor by measuring displacement of [3H]prazosin from rat brain cortex membranes (in vitro).More data for this Ligand-Target Pair
TargetAlpha-1A/Alpha-1B/Alpha-1D adrenergic receptor(Rattus norvegicus (rat))
Università di Pisa

Curated by ChEMBL
LigandPNGBDBM50226846(CHEMBL6474)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCC(CC1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C23H27N5O3/c1-30-19-12-17-18(13-20(19)31-2)26-23(27-21(17)24)28-10-8-16(9-11-28)22(29)25-14-15-6-4-3-5-7-15/h3-7,12-13,16H,8-11,14H2,1-2H3,(H,25,29)(H2,24,26,27)
Affinity DataKi:  0.220nMAssay Description:In vitro binding affinity determined for alpha-1 adrenergic receptor by the displacement of [3H]- prazosin.More data for this Ligand-Target Pair
TargetAlpha-1A/Alpha-1B/Alpha-1D adrenergic receptor(Rattus norvegicus (rat))
Università di Pisa

Curated by ChEMBL
LigandPNGBDBM50226237(CHEMBL299584)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)c1ccnc(Oc2ccccc2)n1
Show InChI InChI=1S/C24H25N7O3/c1-32-19-14-17-18(15-20(19)33-2)27-23(29-22(17)25)31-12-10-30(11-13-31)21-8-9-26-24(28-21)34-16-6-4-3-5-7-16/h3-9,14-15H,10-13H2,1-2H3,(H2,25,27,29)
Affinity DataKi:  0.240nMAssay Description:Binding affinity against alpha-1-adrenoceptor in rat brain homogenates [3H]-prazosin displacement.More data for this Ligand-Target Pair
TargetAlpha-1A/Alpha-1B/Alpha-1D adrenergic receptor(Rattus norvegicus (rat))
Università di Pisa

Curated by ChEMBL
LigandPNGBDBM29568(CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)
Affinity DataKi:  0.240nMAssay Description:Displacement of [3H]-prazosin from alpha1-adrenergic receptor in rat cerebral cortex membranes after 30 mins by scintillation countingMore data for this Ligand-Target Pair
TargetAlpha-1A/Alpha-1B/Alpha-1D adrenergic receptor(Rattus norvegicus (rat))
Università di Pisa

Curated by ChEMBL
LigandPNGBDBM29568(CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)
Affinity DataKi:  0.240nMAssay Description:Binding affinity towards Alpha-1 adrenergic receptor in rat cerebral cortex using [3H]prazosinMore data for this Ligand-Target Pair
TargetAlpha-1A/Alpha-1B/Alpha-1D adrenergic receptor(Rattus norvegicus (rat))
Università di Pisa

Curated by ChEMBL
LigandPNGBDBM29568(CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)
Affinity DataKi:  0.240nMAssay Description:Binding affinity towards alpha-1 adrenergic receptor in rat cortex membrane using [3H]-prazosin radioligandMore data for this Ligand-Target Pair
TargetAlpha-1A/Alpha-1B/Alpha-1D adrenergic receptor(Rattus norvegicus (rat))
Università di Pisa

Curated by ChEMBL
LigandPNGBDBM29568(CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)
Affinity DataKi:  0.240nMAssay Description:Binding affinity by its ability to displace [3H]prazosin radioligand from Alpha-1 adrenergic receptor on rat cerebral cortexMore data for this Ligand-Target Pair
TargetAlpha-1A/Alpha-1B/Alpha-1D adrenergic receptor(Rattus norvegicus (rat))
Università di Pisa

Curated by ChEMBL
LigandPNGBDBM50040253(3-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1
Show InChI InChI=1S/C21H24N4O3/c1-28-19-9-5-4-8-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-6-2-3-7-17(16)22-21(25)27/h2-9H,10-15H2,1H3,(H,22,27)
Affinity DataKi:  0.25nMAssay Description:Binding affinity against alpha-1 adrenergic receptor by measuring displacement of [3H]prazosin from rat brain cortex membranes (in vitro).More data for this Ligand-Target Pair
TargetAlpha-1A/Alpha-1B/Alpha-1D adrenergic receptor(Rattus norvegicus (rat))
Università di Pisa

Curated by ChEMBL
LigandPNGBDBM50226229(CHEMBL52439)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C18H21N7O2/c1-26-14-10-12-13(11-15(14)27-2)22-18(23-16(12)19)25-8-6-24(7-9-25)17-20-4-3-5-21-17/h3-5,10-11H,6-9H2,1-2H3,(H2,19,22,23)
Affinity DataKi:  0.260nMAssay Description:Binding affinity against alpha-1-adrenoceptor in rat brain homogenates [3H]-prazosin displacement.More data for this Ligand-Target Pair
TargetAlpha-1A/Alpha-1B/Alpha-1D adrenergic receptor(Rattus norvegicus (rat))
Università di Pisa

Curated by ChEMBL
LigandPNGBDBM50122239(4-Chloro-5-{4-[2-(2-ethoxy-phenoxy)-ethyl]-piperaz...)
Show SMILES CCOc1ccccc1OCCN1CCN(CC1)c1cnn(CCCCCCCN2CCN(CC2)c2ccccc2OC(C)C)c(=O)c1Cl
Show InChI InChI=1S/C38H55ClN6O4/c1-4-47-35-16-10-11-17-36(35)48-29-28-42-22-26-44(27-23-42)33-30-40-45(38(46)37(33)39)19-13-7-5-6-12-18-41-20-24-43(25-21-41)32-14-8-9-15-34(32)49-31(2)3/h8-11,14-17,30-31H,4-7,12-13,18-29H2,1-3H3
Affinity DataKi:  0.260nMAssay Description:Binding affinity towards Alpha-1 adrenergic receptor in rat cerebral cortex using [3H]prazosinMore data for this Ligand-Target Pair
TargetAlpha-1A/Alpha-1B/Alpha-1D adrenergic receptor(Rattus norvegicus (rat))
Università di Pisa

Curated by ChEMBL
LigandPNGBDBM50226228(CHEMBL50137)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)c1ccncn1
Show InChI InChI=1S/C18H21N7O2/c1-26-14-9-12-13(10-15(14)27-2)22-18(23-17(12)19)25-7-5-24(6-8-25)16-3-4-20-11-21-16/h3-4,9-11H,5-8H2,1-2H3,(H2,19,22,23)
Affinity DataKi:  0.270nMAssay Description:Binding affinity against alpha-1-adrenoceptor in rat brain homogenates [3H]-prazosin displacement.More data for this Ligand-Target Pair
TargetAlpha-1A/Alpha-1B/Alpha-1D adrenergic receptor(Rattus norvegicus (rat))
Università di Pisa

Curated by ChEMBL
LigandPNGBDBM50226225(CHEMBL50746)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)c1nccc(n1)N(C)C
Show InChI InChI=1S/C20H26N8O2/c1-26(2)17-5-6-22-19(24-17)27-7-9-28(10-8-27)20-23-14-12-16(30-4)15(29-3)11-13(14)18(21)25-20/h5-6,11-12H,7-10H2,1-4H3,(H2,21,23,25)
Affinity DataKi:  0.270nMAssay Description:Binding affinity against alpha-1-adrenoceptor in rat brain homogenates [3H]-prazosin displacement.More data for this Ligand-Target Pair
TargetAlpha-1A/Alpha-1B/Alpha-1D adrenergic receptor(Rattus norvegicus (rat))
Università di Pisa

Curated by ChEMBL
LigandPNGBDBM50227379(CHEMBL267428)
Show SMILES COc1cc2nc(cc(N)c2cc1OC)N1CCN(CC1)C(=O)NCC=C
Show InChI InChI=1S/C19H25N5O3/c1-4-5-21-19(25)24-8-6-23(7-9-24)18-11-14(20)13-10-16(26-2)17(27-3)12-15(13)22-18/h4,10-12H,1,5-9H2,2-3H3,(H2,20,22)(H,21,25)
Affinity DataKi:  0.290nMAssay Description:Binding affinity towards alpha-1 adrenergic receptor from rat brain homogenate preparation by displacement of [3H]prazosinMore data for this Ligand-Target Pair
TargetAlpha-1A/Alpha-1B/Alpha-1D adrenergic receptor(Rattus norvegicus (rat))
Università di Pisa

Curated by ChEMBL
LigandPNGBDBM50226238(CHEMBL301614)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)c1ccc(OC(C)C)nn1
Show InChI InChI=1S/C21H27N7O3/c1-13(2)31-19-6-5-18(25-26-19)27-7-9-28(10-8-27)21-23-15-12-17(30-4)16(29-3)11-14(15)20(22)24-21/h5-6,11-13H,7-10H2,1-4H3,(H2,22,23,24)
Affinity DataKi:  0.290nMAssay Description:Binding affinity against alpha-1-adrenoceptor in rat brain homogenates [3H]-prazosin displacement.More data for this Ligand-Target Pair
TargetAlpha-1A/Alpha-1B/Alpha-1D adrenergic receptor(Rattus norvegicus (rat))
Università di Pisa

Curated by ChEMBL
LigandPNGBDBM29568(CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)
Affinity DataKi:  0.300nMAssay Description:Alpha-1 adrenergic receptor binding affinity was evaluated by its ability to displace [3H]prazosin in rat brain synaptosomesMore data for this Ligand-Target Pair
TargetAlpha-1A/Alpha-1B/Alpha-1D adrenergic receptor(Rattus norvegicus (rat))
Università di Pisa

Curated by ChEMBL
LigandPNGBDBM50226241(CHEMBL301749)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)c1ccnc(n1)N1CCOCC1
Show InChI InChI=1S/C22H28N8O3/c1-31-17-13-15-16(14-18(17)32-2)25-22(27-20(15)23)29-7-5-28(6-8-29)19-3-4-24-21(26-19)30-9-11-33-12-10-30/h3-4,13-14H,5-12H2,1-2H3,(H2,23,25,27)
Affinity DataKi:  0.310nMAssay Description:Binding affinity against alpha-1-adrenoceptor in rat brain homogenates [3H]-prazosin displacement.More data for this Ligand-Target Pair
TargetAlpha-1A/Alpha-1B/Alpha-1D adrenergic receptor(Rattus norvegicus (rat))
Università di Pisa

Curated by ChEMBL
LigandPNGBDBM29568(CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)
Affinity DataKi:  0.320nMAssay Description:Evaluated for binding affinity against alpha-1 adrenergic receptorMore data for this Ligand-Target Pair
TargetAlpha-1A/Alpha-1B/Alpha-1D adrenergic receptor(Rattus norvegicus (rat))
Università di Pisa

Curated by ChEMBL
LigandPNGBDBM50226230(CHEMBL50084)
Show SMILES CCCOc1ccnc(n1)N1CCN(CC1)c1nc(N)c2cc(OC)c(OC)cc2n1
Show InChI InChI=1S/C21H27N7O3/c1-4-11-31-18-5-6-23-20(25-18)27-7-9-28(10-8-27)21-24-15-13-17(30-3)16(29-2)12-14(15)19(22)26-21/h5-6,12-13H,4,7-11H2,1-3H3,(H2,22,24,26)
Affinity DataKi:  0.320nMAssay Description:Binding affinity against alpha-1-adrenoceptor in rat brain homogenates [3H]-prazosin displacement.More data for this Ligand-Target Pair
TargetAlpha-1A/Alpha-1B/Alpha-1D adrenergic receptor(Rattus norvegicus (rat))
Università di Pisa

Curated by ChEMBL
LigandPNGBDBM50227369(CHEMBL268416)
Show SMILES COc1cc2nc(cc(N)c2cc1OC)N1CCN(CC1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C22H25N5O3/c1-29-19-12-16-17(23)13-21(25-18(16)14-20(19)30-2)26-8-10-27(11-9-26)22(28)24-15-6-4-3-5-7-15/h3-7,12-14H,8-11H2,1-2H3,(H2,23,25)(H,24,28)
Affinity DataKi:  0.340nMAssay Description:Binding affinity towards alpha-1 adrenergic receptor from rat brain homogenate preparation by displacement of [3H]prazosinMore data for this Ligand-Target Pair
TargetAlpha-1A/Alpha-1B/Alpha-1D adrenergic receptor(Rattus norvegicus (rat))
Università di Pisa

Curated by ChEMBL
LigandPNGBDBM50473275(CHEMBL305038)
Show SMILES COc1ccccc1N1CCN(CCCCN2C(=O)CCc3ccccc23)CC1
Show InChI InChI=1S/C24H31N3O2/c1-29-23-11-5-4-10-22(23)26-18-16-25(17-19-26)14-6-7-15-27-21-9-3-2-8-20(21)12-13-24(27)28/h2-5,8-11H,6-7,12-19H2,1H3
Affinity DataKi:  0.340nMAssay Description:Alpha-1 adrenergic receptor binding affinity of the compound, value taken from literatureMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAlpha-1A/Alpha-1B/Alpha-1D adrenergic receptor(Rattus norvegicus (rat))
Università di Pisa

Curated by ChEMBL
LigandPNGBDBM50230844(CHEMBL71470)
Show SMILES COc1ccccc1N1CCN(CC2CN3C(=N2)c2ccccc2N=C3SC)CC1
Show InChI InChI=1S/C23H27N5OS/c1-29-21-10-6-5-9-20(21)27-13-11-26(12-14-27)15-17-16-28-22(24-17)18-7-3-4-8-19(18)25-23(28)30-2/h3-10,17H,11-16H2,1-2H3
Affinity DataKi:  0.340nMAssay Description:Binding affinity against alpha-1 adrenergic receptor by measuring displacement of [3H]prazosin from rat brain cortex membranes (in vitro).More data for this Ligand-Target Pair
TargetAlpha-1A/Alpha-1B/Alpha-1D adrenergic receptor(Rattus norvegicus (rat))
Università di Pisa

Curated by ChEMBL
LigandPNGBDBM50230870(CHEMBL70498)
Show SMILES CSC1=Nc2ccccc2C2=NC(CN3CCN(CC3)c3ccccc3Cl)CN12
Show InChI InChI=1S/C22H24ClN5S/c1-29-22-25-19-8-4-2-6-17(19)21-24-16(15-28(21)22)14-26-10-12-27(13-11-26)20-9-5-3-7-18(20)23/h2-9,16H,10-15H2,1H3
Affinity DataKi:  0.340nMAssay Description:Binding affinity against alpha-1 adrenergic receptor by measuring displacement of [3H]prazosin from rat brain cortex membranes (in vitro).More data for this Ligand-Target Pair
TargetAlpha-1A/Alpha-1B/Alpha-1D adrenergic receptor(Rattus norvegicus (rat))
Università di Pisa

Curated by ChEMBL
LigandPNGBDBM50230861(CHEMBL2114072)
Show SMILES COc1ccccc1N1CCN(CC2CN=C3N2C(=O)N(C)c2ccccc32)CC1
Show InChI InChI=1S/C23H27N5O2/c1-25-19-8-4-3-7-18(19)22-24-15-17(28(22)23(25)29)16-26-11-13-27(14-12-26)20-9-5-6-10-21(20)30-2/h3-10,17H,11-16H2,1-2H3
Affinity DataKi:  0.360nMAssay Description:Binding affinity against alpha-1 adrenergic receptor by measuring displacement of [3H]prazosin from rat brain cortex membranes (in vitro).More data for this Ligand-Target Pair
TargetAlpha-1A/Alpha-1B/Alpha-1D adrenergic receptor(Rattus norvegicus (rat))
Università di Pisa

Curated by ChEMBL
LigandPNGBDBM50226242(CHEMBL51056)
Show SMILES CCCOc1cc(ncn1)N1CCN(CC1)c1nc(N)c2cc(OC)c(OC)cc2n1
Show InChI InChI=1S/C21H27N7O3/c1-4-9-31-19-12-18(23-13-24-19)27-5-7-28(8-6-27)21-25-15-11-17(30-3)16(29-2)10-14(15)20(22)26-21/h10-13H,4-9H2,1-3H3,(H2,22,25,26)
Affinity DataKi:  0.360nMAssay Description:Binding affinity against alpha-1-adrenoceptor in rat brain homogenates [3H]-prazosin displacement.More data for this Ligand-Target Pair
TargetAlpha-1A/Alpha-1B/Alpha-1D adrenergic receptor(Rattus norvegicus (rat))
Università di Pisa

Curated by ChEMBL
LigandPNGBDBM50230853(CHEMBL304165)
Show SMILES COc1ccccc1N1CCN(CC2CN3C(=N2)c2ccccc2N(C)C3=O)CC1
Show InChI InChI=1S/C23H27N5O2/c1-25-19-8-4-3-7-18(19)22-24-17(16-28(22)23(25)29)15-26-11-13-27(14-12-26)20-9-5-6-10-21(20)30-2/h3-10,17H,11-16H2,1-2H3
Affinity DataKi:  0.370nMAssay Description:Binding affinity against alpha-1 adrenergic receptor by measuring displacement of [3H]prazosin from rat brain cortex membranes (in vitro).More data for this Ligand-Target Pair
TargetAlpha-1A/Alpha-1B/Alpha-1D adrenergic receptor(Rattus norvegicus (rat))
Università di Pisa

Curated by ChEMBL
LigandPNGBDBM50226231(CHEMBL50473)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)c1cccnn1
Show InChI InChI=1S/C18H21N7O2/c1-26-14-10-12-13(11-15(14)27-2)21-18(22-17(12)19)25-8-6-24(7-9-25)16-4-3-5-20-23-16/h3-5,10-11H,6-9H2,1-2H3,(H2,19,21,22)
Affinity DataKi:  0.400nMAssay Description:Binding affinity against alpha-1-adrenoceptor in rat brain homogenates [3H]-prazosin displacement.More data for this Ligand-Target Pair
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