Compile Data Set for Download or QSAR
Found 2239 Enz. Inhib. hit(s) with Target = 'Alpha-1D adrenergic receptor'
TargetAlpha-1D adrenergic receptor(Homo sapiens (Human))
The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50085683((+)-4-((S)-alpha,2,3-trimethylbenzyl)imidazole | 4...)
Show SMILES C[C@H](c1cnc[nH]1)c1cccc(C)c1C
Show InChI InChI=1S/C13H16N2/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13/h4-8,11H,1-3H3,(H,14,15)/t11-/m0/s1
Affinity DataKi:  0.0150nMAssay Description:In vitro binding affinity against alpha-2D adrenergic receptor of male Wistar ratMore data for this Ligand-Target Pair
TargetAlpha-1D adrenergic receptor(Rattus norvegicus (Rat))
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-1D adrenergic receptor, from rat clones.More data for this Ligand-Target Pair
TargetAlpha-1D adrenergic receptor(Homo sapiens (Human))
The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50475529(Clopenphendioxan)
Show SMILES COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccc(Cl)cc1
Show InChI InChI=1S/C25H28ClNO5/c1-28-23-8-5-9-24(29-2)25(23)31-17-15-27-14-16-30-21-6-3-4-7-22(21)32-18-19-10-12-20(26)13-11-19/h3-13,27H,14-18H2,1-2H3
Affinity DataKi:  0.0316nMAssay Description:Displacement of [3H]prazosin from cloned human ADRA1D expressed in CHO cellsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAlpha-1D adrenergic receptor(Homo sapiens (Human))
The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50274054(CHEMBL4128084)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN([C@@H]2CCCC[C@H]12)C(=O)OCc1ccccc1
Show InChI InChI=1S/C26H31N5O4/c1-33-22-14-18-19(15-23(22)34-2)28-25(29-24(18)27)30-12-13-31(21-11-7-6-10-20(21)30)26(32)35-16-17-8-4-3-5-9-17/h3-5,8-9,14-15,20-21H,6-7,10-13,16H2,1-2H3,(H2,27,28,29)/t20-,21+/m0/s1
Affinity DataKi:  0.0398nMAssay Description:Displacement of [3H]prazosin from human alpha1D adrenergic receptor expressed in CHO cell membranes after 30 mins by rapid filtration methodMore data for this Ligand-Target Pair
TargetAlpha-1D adrenergic receptor(Homo sapiens (Human))
The R. W. Johnson Pharmaceutical Research Institute

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-1D adrenergic receptor, from human clones.More data for this Ligand-Target Pair
TargetAlpha-1D adrenergic receptor(Homo sapiens (Human))
The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50475537(CHEMBL196817)
Show SMILES COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C25H28N2O7/c1-30-23-8-5-9-24(31-2)25(23)33-17-15-26-14-16-32-21-6-3-4-7-22(21)34-18-19-10-12-20(13-11-19)27(28)29/h3-13,26H,14-18H2,1-2H3
Affinity DataKi:  0.0501nMAssay Description:Displacement of [3H]prazosin from cloned human ADRA1D expressed in CHO cellsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAlpha-1D adrenergic receptor(Homo sapiens (Human))
The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50475534(CHEMBL198860)
Show SMILES COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1cccc(Cl)c1
Show InChI InChI=1S/C25H28ClNO5/c1-28-23-11-6-12-24(29-2)25(23)31-16-14-27-13-15-30-21-9-3-4-10-22(21)32-18-19-7-5-8-20(26)17-19/h3-12,17,27H,13-16,18H2,1-2H3
Affinity DataKi:  0.0501nMAssay Description:Displacement of [3H]prazosin from cloned human ADRA1D expressed in CHO cellsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAlpha-1D adrenergic receptor(Homo sapiens (Human))
The R. W. Johnson Pharmaceutical Research Institute

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:  0.0560nMMore data for this Ligand-Target Pair
TargetAlpha-1D adrenergic receptor(Homo sapiens (Human))
The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50023189(CHEMBL3297829)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c4cc(NC(=O)CCCC(=O)N(C)Cc5ccccc5)ccc4sc3c2=O)CC1
Show InChI InChI=1S/C36H40N6O5S/c1-39(24-25-9-4-3-5-10-25)32(44)14-8-13-31(43)37-26-15-16-30-27(23-26)33-34(48-30)35(45)42(36(46)38-33)22-19-40-17-20-41(21-18-40)28-11-6-7-12-29(28)47-2/h3-7,9-12,15-16,23H,8,13-14,17-22,24H2,1-2H3,(H,37,43)(H,38,46)
Affinity DataKi:  0.0562nMAssay Description:Displacement of [125I]BE2254 from human alpha1d receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetAlpha-1D adrenergic receptor(Homo sapiens (Human))
The R. W. Johnson Pharmaceutical Research Institute

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:  0.0580nMAssay Description:Binding affinity against human adrenergic receptor subtype Alpha-1D adrenergic receptor using [3H]-prazosin as radioligandMore data for this Ligand-Target Pair
TargetAlpha-1D adrenergic receptor(Homo sapiens (Human))
The R. W. Johnson Pharmaceutical Research Institute

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-1D adrenergic receptor(Homo sapiens (Human))
The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50274049(CHEMBL342062)
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+/m1/s1
Affinity DataKi:  0.0603nMAssay Description:Displacement of [3H]prazosin from human alpha1D adrenergic receptor expressed in CHO cell membranes after 30 mins by rapid filtration methodMore data for this Ligand-Target Pair
TargetAlpha-1D adrenergic receptor(Homo sapiens (Human))
The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50475532(CHEMBL197442)
Show SMILES COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C25H28N2O7/c1-30-23-11-6-12-24(31-2)25(23)33-16-14-26-13-15-32-21-9-3-4-10-22(21)34-18-19-7-5-8-20(17-19)27(28)29/h3-12,17,26H,13-16,18H2,1-2H3
Affinity DataKi:  0.0631nMAssay Description:Displacement of [3H]prazosin from cloned human ADRA1D expressed in CHO cellsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAlpha-1D adrenergic receptor(Homo sapiens (Human))
The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50274053(CHEMBL4126860)
Show SMILES CCCN(CCC)c1nc(nc2cc(OC)c(OC)cc12)N1CCN([C@@H]2CCCC[C@H]12)C(=O)c1ccco1
Show InChI InChI=1S/C29H39N5O4/c1-5-13-32(14-6-2)27-20-18-25(36-3)26(37-4)19-21(20)30-29(31-27)34-16-15-33(22-10-7-8-11-23(22)34)28(35)24-12-9-17-38-24/h9,12,17-19,22-23H,5-8,10-11,13-16H2,1-4H3/t22-,23+/m1/s1
Affinity DataKi:  0.0631nMAssay Description:Displacement of [3H]prazosin from human alpha1D adrenergic receptor expressed in CHO cell membranes after 30 mins by rapid filtration methodMore data for this Ligand-Target Pair
TargetAlpha-1D adrenergic receptor(Homo sapiens (Human))
The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50475538(CHEMBL200366)
Show SMILES COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccc(C)cc1
Show InChI InChI=1S/C26H31NO5/c1-20-11-13-21(14-12-20)19-32-23-8-5-4-7-22(23)30-17-15-27-16-18-31-26-24(28-2)9-6-10-25(26)29-3/h4-14,27H,15-19H2,1-3H3
Affinity DataKi:  0.0631nMAssay Description:Displacement of [3H]prazosin from cloned human ADRA1D expressed in CHO cellsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAlpha-1D adrenergic receptor(Homo sapiens (Human))
The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50416853(CHEMBL43116)
Show SMILES COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccccc1
Show InChI InChI=1S/C25H29NO5/c1-27-23-13-8-14-24(28-2)25(23)30-18-16-26-15-17-29-21-11-6-7-12-22(21)31-19-20-9-4-3-5-10-20/h3-14,26H,15-19H2,1-2H3
Affinity DataKi:  0.0676nMAssay Description:Displacement of [3H]prazosin from human adrenergic Alpha-1D expressed in CHO cellsMore data for this Ligand-Target Pair
TargetAlpha-1D adrenergic receptor(Homo sapiens (Human))
The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50416853(CHEMBL43116)
Show SMILES COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccccc1
Show InChI InChI=1S/C25H29NO5/c1-27-23-13-8-14-24(28-2)25(23)30-18-16-26-15-17-29-21-11-6-7-12-22(21)31-19-20-9-4-3-5-10-20/h3-14,26H,15-19H2,1-2H3
Affinity DataKi:  0.0676nMAssay Description:Displacement of [3H]prazosin from cloned human ADRA1D expressed in CHO cellsMore data for this Ligand-Target Pair
TargetAlpha-1D adrenergic receptor(Rattus norvegicus (Rat))
SmithKline Beecham Pharmaceuticals Ltd

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:  0.0700nMAssay Description:In vitro binding affinity using [3H]-prazosin as radioligand against adrenoceptor alpha 1d expressed in LTK cellMore data for this Ligand-Target Pair
TargetAlpha-1D adrenergic receptor(Homo sapiens (Human))
The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50370036(CHEMBL1203855)
Show SMILES Brc1csc(Cc2cnc[nH]2)c1Br
Show InChI InChI=1S/C8H6Br2N2S/c9-6-3-13-7(8(6)10)1-5-2-11-4-12-5/h2-4H,1H2,(H,11,12)
Affinity DataKi:  0.0700nMAssay Description:In vitro binding affinity against alpha-2D adrenergic receptor of male Wistar ratMore data for this Ligand-Target Pair
TargetAlpha-1D adrenergic receptor(Homo sapiens (Human))
The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50370037(CHEMBL1744288)
Show SMILES CCc1sccc1Cc1cnc[nH]1
Show InChI InChI=1S/C10H12N2S/c1-2-10-8(3-4-13-10)5-9-6-11-7-12-9/h3-4,6-7H,2,5H2,1H3,(H,11,12)
Affinity DataKi:  0.0700nMAssay Description:In vitro binding affinity against alpha-2D adrenergic receptor of male Wistar ratMore data for this Ligand-Target Pair
TargetAlpha-1D adrenergic receptor(Rattus norvegicus (Rat))
SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL
LigandPNGBDBM50007568(1-((S)-8-Chloro-10,11-dihydro-dibenzo[b,f]thiepin-...)
Show SMILES CN1CCN(CC1)[C@H]1Cc2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C19H21ClN2S/c1-21-8-10-22(11-9-21)17-12-14-4-2-3-5-18(14)23-19-7-6-15(20)13-16(17)19/h2-7,13,17H,8-12H2,1H3/t17-/m0/s1
Affinity DataKi:  0.0760nMAssay Description:Displacement of [3H]prozosin from rat cloned alpha1d receptorMore data for this Ligand-Target Pair
TargetAlpha-1D adrenergic receptor(Homo sapiens (Human))
The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50370035(CHEMBL1788145)
Show SMILES CC(c1cnc[nH]1)c1cscc1Br
Show InChI InChI=1S/C9H9BrN2S/c1-6(9-2-11-5-12-9)7-3-13-4-8(7)10/h2-6H,1H3,(H,11,12)
Affinity DataKi:  0.0800nMAssay Description:In vitro binding affinity against alpha-2D adrenergic receptor of male Wistar ratMore data for this Ligand-Target Pair
TargetAlpha-1D adrenergic receptor(Rattus norvegicus (Rat))
SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL
LigandPNGBDBM50328496(11-(4-Methylpiperazin-1-yl)-10,11-dihydrodibenzo[b...)
Show SMILES CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(cc12)C#N
Show InChI InChI=1S/C20H21N3S/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,8-11,13H2,1H3
Affinity DataKi:  0.0840nMAssay Description:Displacement of [3H]prozosin from rat cloned alpha1d receptorMore data for this Ligand-Target Pair
TargetAlpha-1D adrenergic receptor(Homo sapiens (Human))
The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50370026(CHEMBL1744273)
Show SMILES Clc1cc(Cc2cnc[nH]2)c(Cl)s1
Show InChI InChI=1S/C8H6Cl2N2S/c9-7-2-5(8(10)13-7)1-6-3-11-4-12-6/h2-4H,1H2,(H,11,12)
Affinity DataKi:  0.0880nMAssay Description:In vitro binding affinity against alpha-2D adrenergic receptor of male Wistar ratMore data for this Ligand-Target Pair
TargetAlpha-1D adrenergic receptor(Homo sapiens (Human))
The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50370020(CHEMBL1744270)
Show SMILES C(c1cnc[nH]1)c1csc2ccccc12
Show InChI InChI=1S/C12H10N2S/c1-2-4-12-11(3-1)9(7-15-12)5-10-6-13-8-14-10/h1-4,6-8H,5H2,(H,13,14)
Affinity DataKi:  0.0900nMAssay Description:In vitro binding affinity against alpha-2D adrenergic receptor of male Wistar ratMore data for this Ligand-Target Pair
TargetAlpha-1D adrenergic receptor(Homo sapiens (Human))
The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50203482(4-fluoro-2-(4-(4-(2-isopropoxyphenyl)piperazin-1-y...)
Show SMILES CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)N1C(=O)c2cccc(F)c2C1=O
Show InChI InChI=1S/C27H32FN3O3/c1-18(2)34-24-9-4-3-8-23(24)30-16-14-29(15-17-30)19-10-12-20(13-11-19)31-26(32)21-6-5-7-22(28)25(21)27(31)33/h3-9,18-20H,10-17H2,1-2H3
Affinity DataKi:  0.0900nMAssay Description:Displacement of [125]HEAT from human adrenergic alpha1d receptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetAlpha-1D adrenergic receptor(Homo sapiens (Human))
The R. W. Johnson Pharmaceutical Research Institute

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:  0.100nMAssay 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))
The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50475530(CHEMBL200580)
Show SMILES COc1ccc(COc2ccccc2OCCNCCOc2c(OC)cccc2OC)cc1
Show InChI InChI=1S/C26H31NO6/c1-28-21-13-11-20(12-14-21)19-33-23-8-5-4-7-22(23)31-17-15-27-16-18-32-26-24(29-2)9-6-10-25(26)30-3/h4-14,27H,15-19H2,1-3H3
Affinity DataKi:  0.100nMAssay Description:Displacement of [3H]prazosin from cloned human ADRA1D expressed in CHO cellsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAlpha-1D adrenergic receptor(Homo sapiens (Human))
The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50370021(CHEMBL1744272)
Show SMILES Cc1csc(C)c1Cc1cnc[nH]1
Show InChI InChI=1S/C10H12N2S/c1-7-5-13-8(2)10(7)3-9-4-11-6-12-9/h4-6H,3H2,1-2H3,(H,11,12)
Affinity DataKi:  0.100nMAssay Description:In vitro binding affinity against alpha-2D adrenergic receptor of male Wistar ratMore data for this Ligand-Target Pair
TargetAlpha-1D adrenergic receptor(Rattus norvegicus (Rat))
SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL
LigandPNGBDBM50143673(8-{2-[4-(2,5-Dichloro-phenyl)-piperazin-1-yl]-ethy...)
Show SMILES Clc1ccc(Cl)c(c1)N1CCN(CCN2CCC3(CCCC3)CC2=O)CC1
Show InChI InChI=1S/C21H29Cl2N3O/c22-17-3-4-18(23)19(15-17)25-12-9-24(10-13-25)11-14-26-8-7-21(16-20(26)27)5-1-2-6-21/h3-4,15H,1-2,5-14,16H2
Affinity DataKi:  0.110nMAssay Description:Binding affinity to the adrenergic receptor alpha-1D of rat aortaMore data for this Ligand-Target Pair
TargetAlpha-1D adrenergic receptor(Homo sapiens (Human))
The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50475540(CHEMBL382972)
Show SMILES COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccccc1C
Show InChI InChI=1S/C26H31NO5/c1-20-9-4-5-10-21(20)19-32-23-12-7-6-11-22(23)30-17-15-27-16-18-31-26-24(28-2)13-8-14-25(26)29-3/h4-14,27H,15-19H2,1-3H3
Affinity DataKi:  0.126nMAssay Description:Displacement of [3H]prazosin from cloned human ADRA1D expressed in CHO cellsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAlpha-1D adrenergic receptor(Homo sapiens (Human))
The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50143697(8-{2-[4-(2,5-Dichloro-phenyl)-piperazin-1-yl]-ethy...)
Show SMILES Clc1ccc(Cl)c(c1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Show InChI InChI=1S/C21H27Cl2N3O2/c22-16-3-4-17(23)18(13-16)25-10-7-24(8-11-25)9-12-26-19(27)14-21(15-20(26)28)5-1-2-6-21/h3-4,13H,1-2,5-12,14-15H2
Affinity DataKi:  0.129nMAssay Description:Displacement of [125I]BE-2254 from human adrenergic Alpha-1D receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetAlpha-1D adrenergic receptor(Homo sapiens (Human))
The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50101664(5-Acetyl-4-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl...)
Show SMILES COc1ccccc1N1CCN(CCNc2c(C(C)=O)c(nn(C)c2=O)-c2ccccc2)CC1
Show InChI InChI=1S/C26H31N5O3/c1-19(32)23-24(20-9-5-4-6-10-20)28-29(2)26(33)25(23)27-13-14-30-15-17-31(18-16-30)21-11-7-8-12-22(21)34-3/h4-12,27H,13-18H2,1-3H3
Affinity DataKi:  0.130nMAssay Description:Binding affinity towards human cloned alpha1d-adrenoceptor using [3H]-prazosin as radioligandMore data for this Ligand-Target Pair
TargetAlpha-1D adrenergic receptor(Rattus norvegicus (Rat))
SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL
LigandPNGBDBM50143697(8-{2-[4-(2,5-Dichloro-phenyl)-piperazin-1-yl]-ethy...)
Show SMILES Clc1ccc(Cl)c(c1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Show InChI InChI=1S/C21H27Cl2N3O2/c22-16-3-4-17(23)18(13-16)25-10-7-24(8-11-25)9-12-26-19(27)14-21(15-20(26)28)5-1-2-6-21/h3-4,13H,1-2,5-12,14-15H2
Affinity DataKi:  0.130nMAssay Description:Binding affinity to the adrenergic receptor alpha-1D of rat aortaMore data for this Ligand-Target Pair
TargetAlpha-1D adrenergic receptor(Rattus norvegicus (Rat))
SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL
LigandPNGBDBM50143664(8-{2-[4-(2,5-Difluoro-phenyl)-piperazin-1-yl]-ethy...)
Show SMILES Fc1ccc(F)c(c1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Show InChI InChI=1S/C21H27F2N3O2/c22-16-3-4-17(23)18(13-16)25-10-7-24(8-11-25)9-12-26-19(27)14-21(15-20(26)28)5-1-2-6-21/h3-4,13H,1-2,5-12,14-15H2
Affinity DataKi:  0.140nMAssay Description:Binding affinity to the adrenergic receptor alpha-1D of rat aortaMore data for this Ligand-Target Pair
TargetAlpha-1D adrenergic receptor(Homo sapiens (Human))
The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50211341(5-bromo-6-chloro-N-((1s,4s)-4-(4-(2-isopropoxyphen...)
Show SMILES CC(C)Oc1ccccc1N1CCN(CC1)[C@@H]1CC[C@@H](CC1)NS(=O)(=O)c1cnc(Cl)c(Br)c1
Show InChI InChI=1S/C24H32BrClN4O3S/c1-17(2)33-23-6-4-3-5-22(23)30-13-11-29(12-14-30)19-9-7-18(8-10-19)28-34(31,32)20-15-21(25)24(26)27-16-20/h3-6,15-19,28H,7-14H2,1-2H3/t18-,19+
Affinity DataKi:  0.140nMAssay Description:Binding affinity to human cloned adrenergic alpha1D receptorMore data for this Ligand-Target Pair
TargetAlpha-1D adrenergic receptor(Rattus norvegicus (Rat))
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:  0.140nMAssay Description:Displacement of [3H]prozosin from rat cloned alpha1d receptorMore data for this Ligand-Target Pair
TargetAlpha-1D adrenergic receptor(Homo sapiens (Human))
The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50023188(CHEMBL3298750)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c4cc(NC(=O)CCCC(=O)NCc5ccccc5)ccc4sc3c2=O)CC1
Show InChI InChI=1S/C35H38N6O5S/c1-46-28-11-6-5-10-27(28)40-19-16-39(17-20-40)18-21-41-34(44)33-32(38-35(41)45)26-22-25(14-15-29(26)47-33)37-31(43)13-7-12-30(42)36-23-24-8-3-2-4-9-24/h2-6,8-11,14-15,22H,7,12-13,16-21,23H2,1H3,(H,36,42)(H,37,43)(H,38,45)
Affinity DataKi:  0.141nMAssay Description:Displacement of [125I]BE2254 from human alpha1d receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetAlpha-1D adrenergic receptor(Rattus norvegicus (Rat))
SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL
LigandPNGBDBM50007568(1-((S)-8-Chloro-10,11-dihydro-dibenzo[b,f]thiepin-...)
Show SMILES CN1CCN(CC1)[C@H]1Cc2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C19H21ClN2S/c1-21-8-10-22(11-9-21)17-12-14-4-2-3-5-18(14)23-19-7-6-15(20)13-16(17)19/h2-7,13,17H,8-12H2,1H3/t17-/m0/s1
Affinity DataKi:  0.150nMAssay Description:Displacement of [3H]prazosin (0.3 nM) from rat Alpha-1D adrenergic receptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetAlpha-1D adrenergic receptor(Rattus norvegicus (Rat))
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:  0.150nMAssay Description:Displacement of [3H]prozosin from rat cloned alpha1d receptorMore data for this Ligand-Target Pair
TargetAlpha-1D adrenergic receptor(Homo sapiens (Human))
The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50274061(CHEMBL4129461)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN([C@@H]2CCCC[C@H]12)C(C)=O
Show InChI InChI=1S/C20H27N5O3/c1-12(26)24-8-9-25(16-7-5-4-6-15(16)24)20-22-14-11-18(28-3)17(27-2)10-13(14)19(21)23-20/h10-11,15-16H,4-9H2,1-3H3,(H2,21,22,23)/t15-,16+/m1/s1
Affinity DataKi:  0.151nMAssay Description:Displacement of [3H]prazosin from human alpha1D adrenergic receptor expressed in CHO cell membranes after 30 mins by rapid filtration methodMore data for this Ligand-Target Pair
TargetAlpha-1D adrenergic receptor(Homo sapiens (Human))
The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50476083(CHEMBL220515)
Show SMILES COc1ccc(Cl)cc1N1CCN(CCn2c(C)nc3c4ccccc4[nH]c3c2=O)CC1
Show InChI InChI=1S/C24H26ClN5O2/c1-16-26-22-18-5-3-4-6-19(18)27-23(22)24(31)30(16)14-11-28-9-12-29(13-10-28)20-15-17(25)7-8-21(20)32-2/h3-8,15,27H,9-14H2,1-2H3
Affinity DataKi:  0.166nMAssay Description:Displacement of [125I]BE2254 from human cloned adrenergic alpha 1D receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAlpha-1D adrenergic receptor(Homo sapiens (Human))
The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50370019(CHEMBL1203846)
Show SMILES Cc1csc(Cc2cnc[nH]2)c1C
Show InChI InChI=1S/C10H12N2S/c1-7-5-13-10(8(7)2)3-9-4-11-6-12-9/h4-6H,3H2,1-2H3,(H,11,12)
Affinity DataKi:  0.170nMAssay Description:In vitro binding affinity against alpha-2D adrenergic receptor of male Wistar ratMore data for this Ligand-Target Pair
TargetAlpha-1D adrenergic receptor(Rattus norvegicus (Rat))
SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL
LigandPNGBDBM50328501(CHEMBL1259145 | rac-N-((11-(4-Methylpiperazin-1-yl...)
Show SMILES CC(C)C(=O)NCc1ccc2Sc3ccccc3CC(N3CCN(C)CC3)c2c1
Show InChI InChI=1S/C24H31N3OS/c1-17(2)24(28)25-16-18-8-9-23-20(14-18)21(27-12-10-26(3)11-13-27)15-19-6-4-5-7-22(19)29-23/h4-9,14,17,21H,10-13,15-16H2,1-3H3,(H,25,28)
Affinity DataKi:  0.170nMAssay Description:Displacement of [3H]prozosin from rat cloned alpha1d receptorMore data for this Ligand-Target Pair
TargetAlpha-1D adrenergic receptor(Homo sapiens (Human))
The R. W. Johnson Pharmaceutical Research Institute

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:  0.170nMAssay Description:Displacement of [3H]prazosin from human recombinant adrenergic alpha-1D receptor expressed in CHO cell membranes incubated for 60 minsMore data for this Ligand-Target Pair
TargetAlpha-1D adrenergic receptor(Homo sapiens (Human))
The R. W. Johnson Pharmaceutical Research Institute

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-1D adrenergic receptor(Rattus norvegicus (Rat))
SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL
LigandPNGBDBM50099325(3-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3scc(-c4cccc(C)c4)c3c2=O)CC1
Show InChI InChI=1S/C26H28N4O3S/c1-18-6-5-7-19(16-18)20-17-34-24-23(20)25(31)30(26(32)27-24)15-12-28-10-13-29(14-11-28)21-8-3-4-9-22(21)33-2/h3-9,16-17H,10-15H2,1-2H3,(H,27,32)
Affinity DataKi:  0.170nMAssay Description:In vitro functional activity at Alpha-1B adrenergic receptor in rat spleenMore data for this Ligand-Target Pair
TargetAlpha-1D adrenergic receptor(Homo sapiens (Human))
The R. W. Johnson Pharmaceutical Research Institute

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))
The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50416854(CHEMBL1254582)
Show SMILES COc1cccc(OC)c1SCCNCCOc1ccccc1OCc1ccccc1
Show InChI InChI=1S/C25H29NO4S/c1-27-23-13-8-14-24(28-2)25(23)31-18-16-26-15-17-29-21-11-6-7-12-22(21)30-19-20-9-4-3-5-10-20/h3-14,26H,15-19H2,1-2H3
Affinity DataKi:  0.178nMAssay Description:Displacement of [3H]prazosin from human adrenergic Alpha-1D expressed in CHO cellsMore data for this Ligand-Target Pair
TargetAlpha-1D adrenergic receptor(Homo sapiens (Human))
The R. W. Johnson Pharmaceutical Research Institute

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:  0.180nMAssay Description:Binding affinity towards cloned human alpha-1D adrenergic receptor was determined using [125]-HEAT as radioligandMore data for this Ligand-Target Pair
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