Compile Data Set for Download or QSAR
Found 4182 Enz. Inhib. hit(s) with Target = 'Alpha-1A adrenergic receptor'
TargetAlpha-1A adrenergic receptor(Homo sapiens (Human))
Synaptic Pharmaceutical Corporation

Curated by ChEMBL
LigandPNGBDBM50082842(4-(3,4-Difluoro-phenyl)-6-methyl-3-{3-[4-(2-nitro-...)
Show SMILES COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCN(CC1)c1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C27H30F2N6O6/c1-17-23(25(36)41-2)24(18-8-9-19(28)20(29)16-18)34(27(38)31-17)26(37)30-10-5-11-32-12-14-33(15-13-32)21-6-3-4-7-22(21)35(39)40/h3-4,6-9,16,24H,5,10-15H2,1-2H3,(H,30,37)(H,31,38)
Affinity DataKi:  0.0100nMAssay Description:In vitro binding affinity against Alpha-1A adrenergic receptor of human liver microsomes.More data for this Ligand-Target Pair
TargetAlpha-1A adrenergic receptor(Dog)
UnWersity of Misscuri

Curated by PDSP Ki Database
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:  0.0100nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetAlpha-1A adrenergic receptor(Rattus norvegicus (Rat))
UnWersity of Misscuri

Curated by PDSP Ki Database
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:  0.0100nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetAlpha-1A adrenergic receptor(Homo sapiens (Human))
Synaptic Pharmaceutical Corporation

Curated by ChEMBL
LigandPNGBDBM50029257((3-((4-(2-isopropoxyphenyl)piperazin-1-yl)methyl)p...)
Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2cccc(c2)C(=O)N2CCCCC2)CC1
Show InChI InChI=1S/C26H35N3O2/c1-21(2)31-25-12-5-4-11-24(25)28-17-15-27(16-18-28)20-22-9-8-10-23(19-22)26(30)29-13-6-3-7-14-29/h4-5,8-12,19,21H,3,6-7,13-18,20H2,1-2H3
Affinity DataKi:  0.0200nMAssay Description:Binding affinity to adrenergic alpha1A receptor (unknown origin)More data for this Ligand-Target Pair
TargetAlpha-1A adrenergic receptor(Rattus norvegicus (Rat))
UnWersity of Misscuri

Curated by PDSP Ki Database
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:  0.0200nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetAlpha-1A adrenergic receptor(Dog)
UnWersity of Misscuri

Curated by PDSP Ki Database
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:  0.0200nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetAlpha-1A adrenergic receptor(Homo sapiens (Human))
Synaptic Pharmaceutical Corporation

Curated by ChEMBL
LigandPNGBDBM50060964((R)-5-(2-((2-(2-ethoxyphenoxy)ethyl)amino)propyl)-...)
Show SMILES CCOc1ccccc1OCCN[C@H](C)Cc1ccc(OC)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C20H28N2O5S/c1-4-26-17-7-5-6-8-18(17)27-12-11-22-15(2)13-16-9-10-19(25-3)20(14-16)28(21,23)24/h5-10,14-15,22H,4,11-13H2,1-3H3,(H2,21,23,24)/t15-/m1/s1
Affinity DataKi:  0.0290nMMore data for this Ligand-Target Pair
TargetAlpha-1A adrenergic receptor(Homo sapiens (Human))
Synaptic Pharmaceutical Corporation

Curated by ChEMBL
LigandPNGBDBM50060964((R)-5-(2-((2-(2-ethoxyphenoxy)ethyl)amino)propyl)-...)
Show SMILES CCOc1ccccc1OCCN[C@H](C)Cc1ccc(OC)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C20H28N2O5S/c1-4-26-17-7-5-6-8-18(17)27-12-11-22-15(2)13-16-9-10-19(25-3)20(14-16)28(21,23)24/h5-10,14-15,22H,4,11-13H2,1-3H3,(H2,21,23,24)/t15-/m1/s1
Affinity DataKi:  0.0290nMAssay Description:Binding affinity against human adrenergic receptor subtype Alpha-1A adrenergic receptor using [3H]-prazosin as radioligandMore data for this Ligand-Target Pair
TargetAlpha-1A adrenergic receptor(Rattus norvegicus (Rat))
UnWersity of Misscuri

Curated by PDSP Ki Database
LigandPNGBDBM50060964((R)-5-(2-((2-(2-ethoxyphenoxy)ethyl)amino)propyl)-...)
Show SMILES CCOc1ccccc1OCCN[C@H](C)Cc1ccc(OC)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C20H28N2O5S/c1-4-26-17-7-5-6-8-18(17)27-12-11-22-15(2)13-16-9-10-19(25-3)20(14-16)28(21,23)24/h5-10,14-15,22H,4,11-13H2,1-3H3,(H2,21,23,24)/t15-/m1/s1
Affinity DataKi:  0.0300nMAssay Description:In vitro binding affinity using [3H]-prazosin as radioligand against adrenoceptor alpha 1AMore data for this Ligand-Target Pair
TargetAlpha-1A adrenergic receptor(CALF)
SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL
LigandPNGBDBM50033109(2-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-...)
Show SMILES COc1cc2CCN(Cc2cc1OC)c1cc(N)c2cc(OC)c(OC)cc2n1
Show InChI InChI=1S/C22H25N3O4/c1-26-18-7-13-5-6-25(12-14(13)8-19(18)27-2)22-10-16(23)15-9-20(28-3)21(29-4)11-17(15)24-22/h7-11H,5-6,12H2,1-4H3,(H2,23,24)
Affinity DataKi:  0.0300nMAssay Description:Binding affinity against Alpha-1A adrenergic receptor from bovine cloneMore data for this Ligand-Target Pair
TargetAlpha-1A adrenergic receptor(Homo sapiens (Human))
Synaptic Pharmaceutical Corporation

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:  0.0300nMMore data for this Ligand-Target Pair
TargetAlpha-1A adrenergic receptor(Homo sapiens (Human))
Synaptic Pharmaceutical Corporation

Curated by ChEMBL
LigandPNGBDBM50160154(1-(3-Hydroxy-propyl)-5-((R)-2-{2-[2-(2,2,2-trifluo...)
Show SMILES C[C@H](Cc1cc2CCN(CCCO)c2c(c1)C(N)=O)NCCOc1ccccc1OCC(F)(F)F
Show InChI InChI=1S/C25H32F3N3O4/c1-17(30-8-12-34-21-5-2-3-6-22(21)35-16-25(26,27)28)13-18-14-19-7-10-31(9-4-11-32)23(19)20(15-18)24(29)33/h2-3,5-6,14-15,17,30,32H,4,7-13,16H2,1H3,(H2,29,33)/t17-/m1/s1
Affinity DataKi:  0.0360nMAssay Description:Binding constant measured against Alpha-1A adrenergic receptor in human prostate; +++:highly activeMore data for this Ligand-Target Pair
TargetAlpha-1A adrenergic receptor(Homo sapiens (Human))
Synaptic Pharmaceutical Corporation

Curated by ChEMBL
LigandPNGBDBM50220746(CHEMBL292189)
Show SMILES Cc1[nH]c(=O)n(CCCN2CCN(CC2)c2ccccc2OCC(F)(F)F)c(=O)c1C
Show InChI InChI=1S/C21H27F3N4O3/c1-15-16(2)25-20(30)28(19(15)29)9-5-8-26-10-12-27(13-11-26)17-6-3-4-7-18(17)31-14-21(22,23)24/h3-4,6-7H,5,8-14H2,1-2H3,(H,25,30)
Affinity DataKi:  0.0398nMAssay Description:Inhibition of [3H]prazosin binding to CHO-K1 whole cells expressing human cloned Alpha-1A adrenergic receptorMore data for this Ligand-Target Pair
TargetAlpha-1A adrenergic receptor(Homo sapiens (Human))
Synaptic Pharmaceutical Corporation

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:  0.0400nMAssay Description:Displacement of [3H]prazosin from human adrenergic alpha1A receptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetAlpha-1A adrenergic receptor(Rattus norvegicus (Rat))
UnWersity of Misscuri

Curated by PDSP Ki Database
LigandPNGBDBM50100221(7,8-Dimethoxy-3-[2-(6-methoxy-1,3,3a,4,5,9b-hexahy...)
Show SMILES COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c(OC)c(OC)ccc5c4=O)C[C@@H]3CCc12
Show InChI InChI=1S/C25H29N3O5/c1-31-20-6-4-5-16-17(20)8-7-15-13-27(14-19(15)16)11-12-28-24(29)18-9-10-21(32-2)23(33-3)22(18)26-25(28)30/h4-6,9-10,15,19H,7-8,11-14H2,1-3H3,(H,26,30)/t15-,19+/m0/s1
Affinity DataKi:  0.0400nMAssay Description:Binding affinity to alpha-1A adrenergic receptor in rat submaxillary glandMore data for this Ligand-Target Pair
TargetAlpha-1A adrenergic receptor(Homo sapiens (Human))
Synaptic Pharmaceutical Corporation

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:  0.0400nMAssay Description:Displacement of [3H]prazosin from human recombinant alpha1A adrenoceptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetAlpha-1A adrenergic receptor(Homo sapiens (Human))
Synaptic Pharmaceutical Corporation

Curated by ChEMBL
LigandPNGBDBM50033109(2-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-...)
Show SMILES COc1cc2CCN(Cc2cc1OC)c1cc(N)c2cc(OC)c(OC)cc2n1
Show InChI InChI=1S/C22H25N3O4/c1-26-18-7-13-5-6-25(12-14(13)8-19(18)27-2)22-10-16(23)15-9-20(28-3)21(29-4)11-17(15)24-22/h7-11H,5-6,12H2,1-4H3,(H2,23,24)
Affinity DataKi:  0.0400nMAssay Description:Binding affinity against Alpha-1A adrenergic receptor from human cloneMore data for this Ligand-Target Pair
TargetAlpha-1A adrenergic receptor(Rattus norvegicus (Rat))
UnWersity of Misscuri

Curated by PDSP Ki Database
LigandPNGBDBM50100210(6-Methoxy-3-[2-(6-methoxy-1,3,3a,4,5,9b-hexahydro-...)
Show SMILES COc1cc2[nH]c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)c2s1
Show InChI InChI=1S/C22H25N3O4S/c1-28-18-5-3-4-14-15(18)7-6-13-11-24(12-16(13)14)8-9-25-21(26)20-17(23-22(25)27)10-19(29-2)30-20/h3-5,10,13,16H,6-9,11-12H2,1-2H3,(H,23,27)/t13-,16+/m0/s1
Affinity DataKi:  0.0400nMAssay Description:Binding affinity to alpha-1A adrenergic receptor in rat submaxillary glandMore data for this Ligand-Target Pair
TargetAlpha-1A adrenergic receptor(Homo sapiens (Human))
Synaptic Pharmaceutical Corporation

Curated by ChEMBL
LigandPNGBDBM50082851(4-(3,4-Difluoro-phenyl)-6-methyl-3-{3-[(R)-2-methy...)
Show SMILES COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCN(C[C@H]1C)c1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C28H32F2N6O6/c1-17-16-34(22-7-4-5-8-23(22)36(40)41)14-13-33(17)12-6-11-31-27(38)35-25(19-9-10-20(29)21(30)15-19)24(26(37)42-3)18(2)32-28(35)39/h4-5,7-10,15,17,25H,6,11-14,16H2,1-3H3,(H,31,38)(H,32,39)/t17-,25?/m1/s1
Affinity DataKi:  0.0500nMAssay Description:In vitro binding affinity against Alpha-1A adrenergic receptor of human liver microsomes.More data for this Ligand-Target Pair
TargetAlpha-1A adrenergic receptor(Homo sapiens (Human))
Synaptic Pharmaceutical Corporation

Curated by ChEMBL
LigandPNGBDBM50486328(CHEMBL2234441)
Show SMILES COc1cccc(OC)c1OCCN[C@H]1C[C@@H](c2ccccc2)c2ccccc2O1
Show InChI InChI=1S/C25H27NO4/c1-27-22-13-8-14-23(28-2)25(22)29-16-15-26-24-17-20(18-9-4-3-5-10-18)19-11-6-7-12-21(19)30-24/h3-14,20,24,26H,15-17H2,1-2H3/t20-,24+/m0/s1
Affinity DataKi:  0.0500nMAssay Description:Binding affinity to adrenergic alpha1A receptor (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
TargetAlpha-1A adrenergic receptor(Homo sapiens (Human))
Synaptic Pharmaceutical Corporation

Curated by ChEMBL
LigandPNGBDBM50060964((R)-5-(2-((2-(2-ethoxyphenoxy)ethyl)amino)propyl)-...)
Show SMILES CCOc1ccccc1OCCN[C@H](C)Cc1ccc(OC)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C20H28N2O5S/c1-4-26-17-7-5-6-8-18(17)27-12-11-22-15(2)13-16-9-10-19(25-3)20(14-16)28(21,23)24/h5-10,14-15,22H,4,11-13H2,1-3H3,(H2,21,23,24)/t15-/m1/s1
Affinity DataKi:  0.0501nMAssay 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))
Synaptic Pharmaceutical Corporation

Curated by ChEMBL
LigandPNGBDBM50486328(CHEMBL2234441)
Show SMILES COc1cccc(OC)c1OCCN[C@H]1C[C@@H](c2ccccc2)c2ccccc2O1
Show InChI InChI=1S/C25H27NO4/c1-27-22-13-8-14-23(28-2)25(22)29-16-15-26-24-17-20(18-9-4-3-5-10-18)19-11-6-7-12-21(19)30-24/h3-14,20,24,26H,15-17H2,1-2H3/t20-,24+/m0/s1
Affinity DataKi:  0.0501nMAssay Description:Binding affinity to adrenergic alpha1A receptor (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
TargetAlpha-1A adrenergic receptor(Homo sapiens (Human))
Synaptic Pharmaceutical Corporation

Curated by ChEMBL
LigandPNGBDBM50071654(3-{1-[4-(5-Methylsulfanyl-1,1,3-trioxo-1,3-dihydro...)
Show SMILES CSc1ccc2c(c1)C(=O)N(CCCCN1CCC(CC1)n1c3ccccc3oc1=O)S2(=O)=O
Show InChI InChI=1S/C24H27N3O5S2/c1-33-18-8-9-22-19(16-18)23(28)26(34(22,30)31)13-5-4-12-25-14-10-17(11-15-25)27-20-6-2-3-7-21(20)32-24(27)29/h2-3,6-9,16-17H,4-5,10-15H2,1H3
Affinity DataKi:  0.0570nMAssay Description:Ability to displace beta ([125I]-iodo-4-hydroxyphenyl)-ethylaminomethyl tetralone from human cloned Alpha-1a adrenergic receptor stably expressed in ...More data for this Ligand-Target Pair
TargetAlpha-1A adrenergic receptor(Homo sapiens (Human))
Synaptic Pharmaceutical Corporation

Curated by ChEMBL
LigandPNGBDBM50082827(4-(3,4-Difluoro-phenyl)-6-methyl-2-oxo-3-[3-(4-o-t...)
Show SMILES COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)(c1ccc(C)cc1)c1ccccc1C
Show InChI InChI=1S/C36H40F2N4O4/c1-23-10-13-27(14-11-23)36(28-9-6-5-8-24(28)2)16-20-41(21-17-36)19-7-18-39-34(44)42-32(26-12-15-29(37)30(38)22-26)31(33(43)46-4)25(3)40-35(42)45/h5-6,8-15,22,32H,7,16-21H2,1-4H3,(H,39,44)(H,40,45)
Affinity DataKi:  0.0600nMAssay Description:In vitro binding affinity against alpha-1A adrenergic receptor of human liver microsomesMore data for this Ligand-Target Pair
TargetAlpha-1A adrenergic receptor(PIG)
Uppsala University

Curated by PDSP Ki Database
LigandPNGBDBM78940(METHIOTHEPIN | MLS000859918 | Methiothepin mesylat...)
Show SMILES CSc1ccc2Sc3ccccc3CC(N3CCN(C)CC3)c2c1
Show InChI InChI=1S/C20H24N2S2/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20/h3-8,14,18H,9-13H2,1-2H3
Affinity DataKi:  0.0600nMMore data for this Ligand-Target Pair
TargetAlpha-1A adrenergic receptor(Homo sapiens (Human))
Synaptic Pharmaceutical Corporation

Curated by ChEMBL
LigandPNGBDBM50082811(3-{3-[4-Cyano-4-(4-fluoro-phenyl)-piperidin-1-yl]-...)
Show SMILES COCC1=C(C(N(C(=O)NCCCN2CCC(CC2)(C#N)c2ccc(F)cc2)C(=O)N1)c1ccc(F)c(F)c1)C(=O)OC
Show InChI InChI=1S/C30H32F3N5O5/c1-42-17-24-25(27(39)43-2)26(19-4-9-22(32)23(33)16-19)38(29(41)36-24)28(40)35-12-3-13-37-14-10-30(18-34,11-15-37)20-5-7-21(31)8-6-20/h4-9,16,26H,3,10-15,17H2,1-2H3,(H,35,40)(H,36,41)
Affinity DataKi:  0.0600nMAssay Description:In vitro binding affinity against alpha-1A adrenergic receptor of human liver microsomesMore data for this Ligand-Target Pair
TargetAlpha-1A adrenergic receptor(Homo sapiens (Human))
Synaptic Pharmaceutical Corporation

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:  0.0600nMMore data for this Ligand-Target Pair
TargetAlpha-1A adrenergic receptor(Homo sapiens (Human))
Synaptic Pharmaceutical Corporation

Curated by ChEMBL
LigandPNGBDBM50220747(CHEMBL56863)
Show SMILES FC(F)(F)COc1ccccc1N1CCN(CCCn2c(=O)[nH]c3ccccc3c2=O)CC1
Show InChI InChI=1S/C23H25F3N4O3/c24-23(25,26)16-33-20-9-4-3-8-19(20)29-14-12-28(13-15-29)10-5-11-30-21(31)17-6-1-2-7-18(17)27-22(30)32/h1-4,6-9H,5,10-16H2,(H,27,32)
Affinity DataKi:  0.0631nMAssay Description:Inhibition of [3H]prazosin binding to CHO-K1 whole cells expressing human cloned Alpha-1A adrenergic receptorMore data for this Ligand-Target Pair
TargetAlpha-1A adrenergic receptor(Homo sapiens (Human))
Synaptic Pharmaceutical Corporation

Curated by ChEMBL
LigandPNGBDBM50071655(3-{1-[4-(5-Methoxy-1,1,3-trioxo-1,3-dihydro-1lambd...)
Show SMILES COc1ccc2c(c1)C(=O)N(CCCCN1CCC(CC1)n1c3ccccc3oc1=O)S2(=O)=O
Show InChI InChI=1S/C24H27N3O6S/c1-32-18-8-9-22-19(16-18)23(28)26(34(22,30)31)13-5-4-12-25-14-10-17(11-15-25)27-20-6-2-3-7-21(20)33-24(27)29/h2-3,6-9,16-17H,4-5,10-15H2,1H3
Affinity DataKi:  0.0640nMAssay Description:Ability to displace beta ([125I]-iodo-4-hydroxyphenyl)-ethylaminomethyl tetralone from human cloned Alpha-1a adrenergic receptor stably expressed in ...More data for this Ligand-Target Pair
TargetAlpha-1A adrenergic receptor(CALF)
SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL
LigandPNGBDBM50328479(1-Methyl-4-(8-(1-methyl-1H-tetrazol-5-yl)-10,11-di...)
Show SMILES CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(cc12)-c1nnnn1C
Show InChI InChI=1S/C21H24N6S/c1-25-9-11-27(12-10-25)18-14-15-5-3-4-6-19(15)28-20-8-7-16(13-17(18)20)21-22-23-24-26(21)2/h3-8,13,18H,9-12,14H2,1-2H3
Affinity DataKi:  0.0670nMAssay Description:Displacement of [3H]prozosin from bovine cloned alpha1a receptor expressed in BHK cellsMore data for this Ligand-Target Pair
TargetAlpha-1A adrenergic receptor(Homo sapiens (Human))
Synaptic Pharmaceutical Corporation

Curated by ChEMBL
LigandPNGBDBM50090035(4-(3,4-Difluoro-phenyl)-1-methyl-2-oxo-1,2,3,4-tet...)
Show SMILES CN1C=C([C@H](NC1=O)c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)c1ccc(F)cc1C#N
Show InChI InChI=1S/C27H28F3N5O2/c1-34-16-22(25(33-27(34)37)18-3-6-23(29)24(30)14-18)26(36)32-9-2-10-35-11-7-17(8-12-35)21-5-4-20(28)13-19(21)15-31/h3-6,13-14,16-17,25H,2,7-12H2,1H3,(H,32,36)(H,33,37)/t25-/m1/s1
Affinity DataKi:  0.0680nMAssay Description:Evaluated for the ability to displace [125I]- HEAT from human cloned Alpha-1A adrenergic receptor stably expressed in CHO cells.More data for this Ligand-Target Pair
TargetAlpha-1A adrenergic receptor(Homo sapiens (Human))
Synaptic Pharmaceutical Corporation

Curated by ChEMBL
LigandPNGBDBM50090023(4-(3,4-Difluoro-phenyl)-2-oxo-1,2,3,4-tetrahydro-p...)
Show SMILES Fc1ccc(C2CCN(CCCNC(=O)C3C=NC(=O)N[C@@H]3c3ccc(F)c(F)c3)CC2)c(c1)C#N
Show InChI InChI=1S/C26H26F3N5O2/c27-19-3-4-20(18(12-19)14-30)16-6-10-34(11-7-16)9-1-8-31-25(35)21-15-32-26(36)33-24(21)17-2-5-22(28)23(29)13-17/h2-5,12-13,15-16,21,24H,1,6-11H2,(H,31,35)(H,33,36)/t21?,24-/m1/s1
Affinity DataKi:  0.0700nMAssay Description:Displacement of [125I]L-762,459 from recombinant human alpha1a adrenergic receptor expressed in mammalian cells measured after 1 hrMore data for this Ligand-Target Pair
TargetAlpha-1A adrenergic receptor(Rattus norvegicus (Rat))
UnWersity of Misscuri

Curated by PDSP Ki Database
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:  0.0700nMAssay Description:Inhibition of [3H]- prazosin binding against Alpha-1A adrenergic receptor from rat submaxillary glandMore data for this Ligand-Target Pair
TargetAlpha-1A adrenergic receptor(Rattus norvegicus (Rat))
UnWersity of Misscuri

Curated by PDSP Ki Database
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:  0.0700nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetAlpha-1A adrenergic receptor(Homo sapiens (Human))
Synaptic Pharmaceutical Corporation

Curated by ChEMBL
LigandPNGBDBM50090023(4-(3,4-Difluoro-phenyl)-2-oxo-1,2,3,4-tetrahydro-p...)
Show SMILES Fc1ccc(C2CCN(CCCNC(=O)C3C=NC(=O)N[C@@H]3c3ccc(F)c(F)c3)CC2)c(c1)C#N
Show InChI InChI=1S/C26H26F3N5O2/c27-19-3-4-20(18(12-19)14-30)16-6-10-34(11-7-16)9-1-8-31-25(35)21-15-32-26(36)33-24(21)17-2-5-22(28)23(29)13-17/h2-5,12-13,15-16,21,24H,1,6-11H2,(H,31,35)(H,33,36)/t21?,24-/m1/s1
Affinity DataKi:  0.0700nMAssay Description:Evaluated for the ability to displace [125I]- HEAT from human cloned Alpha-1A adrenergic receptor stably expressed in CHO cells.More data for this Ligand-Target Pair
TargetAlpha-1A adrenergic receptor(Homo sapiens (Human))
Synaptic Pharmaceutical Corporation

Curated by ChEMBL
LigandPNGBDBM50071647(3-{1-[4-(5-Chloro-1,1,3-trioxo-1,3-dihydro-1lambda...)
Show SMILES Clc1ccc2c(c1)C(=O)N(CCCCN1CCC(CC1)n1c3ccccc3oc1=O)S2(=O)=O
Show InChI InChI=1S/C23H24ClN3O5S/c24-16-7-8-21-18(15-16)22(28)26(33(21,30)31)12-4-3-11-25-13-9-17(10-14-25)27-19-5-1-2-6-20(19)32-23(27)29/h1-2,5-8,15,17H,3-4,9-14H2
Affinity DataKi:  0.0770nMAssay Description:Compound was evaluated for its affinity for Alpha-1a adrenergic receptor in human aorta preparationsMore data for this Ligand-Target Pair
TargetAlpha-1A adrenergic receptor(CALF)
SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL
LigandPNGBDBM50408198(CHEMBL91278)
Show SMILES CN(C)C(=O)c1cccnc1NCCCN1CCN(CC1)c1ccccc1OCC1CC1
Show InChI InChI=1S/C25H35N5O2/c1-28(2)25(31)21-7-5-12-26-24(21)27-13-6-14-29-15-17-30(18-16-29)22-8-3-4-9-23(22)32-19-20-10-11-20/h3-5,7-9,12,20H,6,10-11,13-19H2,1-2H3,(H,26,27)
Affinity DataKi:  0.0794nMAssay Description:In vitro for the displacement of [3H]prazosin binding to bovine Alpha-1A adrenergic receptorChecked by AuthorMore data for this Ligand-Target Pair
TargetAlpha-1A adrenergic receptor(Homo sapiens (Human))
Synaptic Pharmaceutical Corporation

Curated by ChEMBL
LigandPNGBDBM50486337(CHEMBL2234443)
Show SMILES COc1cccc(OC)c1OCCN[C@H]1C[C@@H](c2ccccc2)c2ccccc2S1
Show InChI InChI=1S/C25H27NO3S/c1-27-21-12-8-13-22(28-2)25(21)29-16-15-26-24-17-20(18-9-4-3-5-10-18)19-11-6-7-14-23(19)30-24/h3-14,20,24,26H,15-17H2,1-2H3/t20-,24+/m0/s1
Affinity DataKi:  0.0800nMAssay Description:Binding affinity to adrenergic alpha1A receptor (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
TargetAlpha-1A adrenergic receptor(PIG)
Uppsala University

Curated by PDSP Ki Database
LigandPNGBDBM81444(CAS_185453 | NSC_185453 | WB 4101 | WB-4101)
Show SMILES COc1cccc(OC)c1OCCNCC1Oc2ccccc2OC1c1ccccc1
Show InChI InChI=1S/C25H27NO5/c1-27-21-13-8-14-22(28-2)25(21)29-16-15-26-17-23-24(18-9-4-3-5-10-18)31-20-12-7-6-11-19(20)30-23/h3-14,23-24,26H,15-17H2,1-2H3
Affinity DataKi:  0.0800nMMore data for this Ligand-Target Pair
TargetAlpha-1A adrenergic receptor(Homo sapiens (Human))
Synaptic Pharmaceutical Corporation

Curated by ChEMBL
LigandPNGBDBM50082845(3-{3-[4-(2-Cyano-phenyl)-piperazin-1-yl]-propylcar...)
Show SMILES COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCN(CC1)c1ccccc1C#N
Show InChI InChI=1S/C28H30F2N6O4/c1-18-24(26(37)40-2)25(19-8-9-21(29)22(30)16-19)36(28(39)33-18)27(38)32-10-5-11-34-12-14-35(15-13-34)23-7-4-3-6-20(23)17-31/h3-4,6-9,16,25H,5,10-15H2,1-2H3,(H,32,38)(H,33,39)
Affinity DataKi:  0.0800nMAssay Description:In vitro binding affinity against Alpha-1A adrenergic receptor of human liver microsomes.More data for this Ligand-Target Pair
TargetAlpha-1A adrenergic receptor(Rattus norvegicus (Rat))
UnWersity of Misscuri

Curated by PDSP Ki Database
LigandPNGBDBM69602(2,3-dihydro-1,4-benzodioxin-3-ylmethyl-[2-(2,6-dim...)
Show SMILES COc1cccc(OC)c1OCCNCC1COc2ccccc2O1
Show InChI InChI=1S/C19H23NO5/c1-21-17-8-5-9-18(22-2)19(17)23-11-10-20-12-14-13-24-15-6-3-4-7-16(15)25-14/h3-9,14,20H,10-13H2,1-2H3
Affinity DataKi:  0.0800nMAssay Description:Overall binding displacement in tissues containing only the Alpha-1A adrenergic receptor from rat submaxillary glandMore data for this Ligand-Target Pair
TargetAlpha-1A adrenergic receptor(CALF)
SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL
LigandPNGBDBM50328497((11-(4-Methylpiperazin-1-yl)-10,11-dihydrodibenzo[...)
Show SMILES CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(CN)cc12
Show InChI InChI=1S/C20H25N3S/c1-22-8-10-23(11-9-22)18-13-16-4-2-3-5-19(16)24-20-7-6-15(14-21)12-17(18)20/h2-7,12,18H,8-11,13-14,21H2,1H3
Affinity DataKi:  0.0820nMAssay Description:Displacement of [3H]prozosin from bovine cloned alpha1a receptor expressed in BHK cellsMore data for this Ligand-Target Pair
TargetAlpha-1A adrenergic receptor(Homo sapiens (Human))
Synaptic Pharmaceutical Corporation

Curated by ChEMBL
LigandPNGBDBM50071652(6-Fluoro-3-{1-[4-(1,1,3-trioxo-1,3-dihydro-1lambda...)
Show SMILES Fc1ccc2n(C3CCN(CCCCN4C(=O)c5ccccc5S4(=O)=O)CC3)c(=O)oc2c1
Show InChI InChI=1S/C23H24FN3O5S/c24-16-7-8-19-20(15-16)32-23(29)27(19)17-9-13-25(14-10-17)11-3-4-12-26-22(28)18-5-1-2-6-21(18)33(26,30)31/h1-2,5-8,15,17H,3-4,9-14H2
Affinity DataKi:  0.0840nMAssay Description:Ability to displace beta ([125I]-iodo-4-hydroxyphenyl)-ethylamino methyl tetralone from human cloned Alpha-1a adrenergic receptor stably expressed in...More data for this Ligand-Target Pair
TargetAlpha-1A adrenergic receptor(CALF)
SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL
LigandPNGBDBM50328483(1-Methyl-4-(8-(1-methyl-1H-1,2,4-triazol-3-yl)-10,...)
Show SMILES CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(cc12)-c1ncn(C)n1
Show InChI InChI=1S/C22H25N5S/c1-25-9-11-27(12-10-25)19-14-16-5-3-4-6-20(16)28-21-8-7-17(13-18(19)21)22-23-15-26(2)24-22/h3-8,13,15,19H,9-12,14H2,1-2H3
Affinity DataKi:  0.0860nMAssay Description:Displacement of [3H]prozosin from bovine cloned alpha1a receptor expressed in BHK cellsMore data for this Ligand-Target Pair
TargetAlpha-1A adrenergic receptor(CALF)
SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL
LigandPNGBDBM50328500(CHEMBL1259144 | rac-N-((11-(4-Methylpiperazin-1-yl...)
Show SMILES CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(CNC(C)=O)cc12
Show InChI InChI=1S/C22H27N3OS/c1-16(26)23-15-17-7-8-22-19(13-17)20(25-11-9-24(2)10-12-25)14-18-5-3-4-6-21(18)27-22/h3-8,13,20H,9-12,14-15H2,1-2H3,(H,23,26)
Affinity DataKi:  0.0880nMAssay Description:Displacement of [3H]prozosin from bovine cloned alpha1a receptor expressed in BHK cellsMore data for this Ligand-Target Pair
TargetAlpha-1A adrenergic receptor(Homo sapiens (Human))
Synaptic Pharmaceutical Corporation

Curated by ChEMBL
LigandPNGBDBM50486337(CHEMBL2234443)
Show SMILES COc1cccc(OC)c1OCCN[C@H]1C[C@@H](c2ccccc2)c2ccccc2S1
Show InChI InChI=1S/C25H27NO3S/c1-27-21-12-8-13-22(28-2)25(21)29-16-15-26-24-17-20(18-9-4-3-5-10-18)19-11-6-7-14-23(19)30-24/h3-14,20,24,26H,15-17H2,1-2H3/t20-,24+/m0/s1
Affinity DataKi:  0.0891nMAssay Description:Binding affinity to adrenergic alpha1A receptor (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
TargetAlpha-1A adrenergic receptor(Rattus norvegicus (Rat))
UnWersity of Misscuri

Curated by PDSP Ki Database
LigandPNGBDBM50100238(7-Methoxy-3-[2-(6-methoxy-1,3,3a,4,5,9b-hexahydro-...)
Show SMILES COc1ccc2c(c1)[nH]c(=O)n(CCN1C[C@@H]3CCc4c(OC)cccc4[C@@H]3C1)c2=O
Show InChI InChI=1S/C24H27N3O4/c1-30-16-7-9-19-21(12-16)25-24(29)27(23(19)28)11-10-26-13-15-6-8-18-17(20(15)14-26)4-3-5-22(18)31-2/h3-5,7,9,12,15,20H,6,8,10-11,13-14H2,1-2H3,(H,25,29)/t15-,20+/m0/s1
Affinity DataKi:  0.0900nMAssay Description:Binding affinity to alpha-1A adrenergic receptor in rat submaxillary glandMore data for this Ligand-Target Pair
TargetAlpha-1A adrenergic receptor(Rattus norvegicus (Rat))
UnWersity of Misscuri

Curated by PDSP Ki Database
LigandPNGBDBM50100214(3-[2-(6-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo[e]is...)
Show SMILES COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c(C)c(C)ccc5c4=O)C[C@@H]3CCc12
Show InChI InChI=1S/C25H29N3O3/c1-15-7-9-20-23(16(15)2)26-25(30)28(24(20)29)12-11-27-13-17-8-10-19-18(21(17)14-27)5-4-6-22(19)31-3/h4-7,9,17,21H,8,10-14H2,1-3H3,(H,26,30)/t17-,21+/m0/s1
Affinity DataKi:  0.0900nMAssay Description:Binding affinity to alpha-1A adrenergic receptor in rat submaxillary glandMore data for this Ligand-Target Pair
TargetAlpha-1A adrenergic receptor(Homo sapiens (Human))
Synaptic Pharmaceutical Corporation

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:  0.0900nMMore data for this Ligand-Target Pair
TargetAlpha-1A adrenergic receptor(Rattus norvegicus (Rat))
UnWersity of Misscuri

Curated by PDSP Ki Database
LigandPNGBDBM50100229(3-[2-(6-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo[e]is...)
Show SMILES COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5cc(ccc5c4=O)C#N)C[C@@H]3CCc12
Show InChI InChI=1S/C24H24N4O3/c1-31-22-4-2-3-17-18(22)8-6-16-13-27(14-20(16)17)9-10-28-23(29)19-7-5-15(12-25)11-21(19)26-24(28)30/h2-5,7,11,16,20H,6,8-10,13-14H2,1H3,(H,26,30)/t16-,20+/m0/s1
Affinity DataKi:  0.0900nMAssay Description:Binding affinity to alpha-1A adrenergic receptor in rat submaxillary glandMore data for this Ligand-Target Pair
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