Found 130 hits of ki for UniProtKB: P25100 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor
(Homo sapiens (Human)) | BDBM50001885
((risperidone)3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-...)Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12 Show InChI InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3 | PDB MMDB
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| DrugBank Article PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to adrenergic alpha1 receptor (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127681 BindingDB Entry DOI: 10.7270/Q2BZ69PB |
More data for this Ligand-Target Pair | |
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor
(Homo sapiens (Human)) | BDBM50109061
(3-{1-[2-(1H-Indol-4-yloxy)-ethyl]-1,2,3,6-tetrahyd...)Show SMILES C(CN1CCC(=CC1)c1c[nH]c2ncccc12)Oc1cccc2[nH]ccc12 |c:5| Show InChI InChI=1S/C22H22N4O/c1-4-20-18(6-10-23-20)21(5-1)27-14-13-26-11-7-16(8-12-26)19-15-25-22-17(19)3-2-9-24-22/h1-7,9-10,15,23H,8,11-14H2,(H,24,25) | PDB MMDB
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| CHEMBL PC cid PC sid UniChem
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| Article PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Organon Laboratories
Curated by ChEMBL
| Assay Description Inhibition constant against alpha adrenergic receptor |
J Med Chem 48: 6523-43 (2005)
Article DOI: 10.1021/jm058225d BindingDB Entry DOI: 10.7270/Q2SF2WZ9 |
More data for this Ligand-Target Pair | |
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor
(Homo sapiens (Human)) | BDBM50549038
(CHEBI:71257 | CHEMBL504548)Show SMILES [H][C@]12CN(C)C[C@]1([H])c1cc(Cl)ccc1Oc1ccccc21 |r| | PDB MMDB
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| Article PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to adrenergic alpha1 receptor (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127681 BindingDB Entry DOI: 10.7270/Q2BZ69PB |
More data for this Ligand-Target Pair | |
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor
(Homo sapiens (Human)) | BDBM50029257
((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 | PDB MMDB
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| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Compound was measured in vivo for its binding affinity at Alpha-1 adrenergic receptor using [3H]prazosin as radioligand. |
Bioorg Med Chem Lett 7: 763-768 (1997)
Article DOI: 10.1016/S0960-894X(97)00074-7 BindingDB Entry DOI: 10.7270/Q2FT8M1V |
More data for this Ligand-Target Pair | |
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor
(Homo sapiens (Human)) | BDBM50064552
((2,3-Dihydro-indol-1-yl)-{3-[4-(2-isopropoxy-pheny...)Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2cccc(c2)C(=O)N2CCc3ccccc23)CC1 Show InChI InChI=1S/C29H33N3O2/c1-22(2)34-28-13-6-5-12-27(28)31-18-16-30(17-19-31)21-23-8-7-10-25(20-23)29(33)32-15-14-24-9-3-4-11-26(24)32/h3-13,20,22H,14-19,21H2,1-2H3 | PDB MMDB
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| Article
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Compound was measured in vivo for its binding affinity at Alpha-1 adrenergic receptor using [3H]prazosin as radioligand. |
Bioorg Med Chem Lett 7: 763-768 (1997)
Article DOI: 10.1016/S0960-894X(97)00074-7 BindingDB Entry DOI: 10.7270/Q2FT8M1V |
More data for this Ligand-Target Pair | |
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor
(Homo sapiens (Human)) | BDBM50001786
(1-(2-{4-[5-chloro-1-(4-fluorophenyl)-1H-indol-3-yl...)Show SMILES Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCNC3=O)CC2)c2cc(Cl)ccc12 Show InChI InChI=1S/C24H26ClFN4O/c25-18-1-6-23-21(15-18)22(16-30(23)20-4-2-19(26)3-5-20)17-7-10-28(11-8-17)13-14-29-12-9-27-24(29)31/h1-6,15-17H,7-14H2,(H,27,31) | PDB MMDB
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| DrugBank Article PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc.
Curated by ChEMBL
| Assay Description Inhibition of currents elicited by GABA at EC5 (6-12 uM) |
J Med Chem 47: 1303-14 (2004)
Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 |
More data for this Ligand-Target Pair | |
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor
(Homo sapiens (Human)) | BDBM50001885
((risperidone)3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-...)Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12 Show InChI InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3 | PDB MMDB
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| DrugBank Article PubMed
| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc.
Curated by ChEMBL
| Assay Description In vitro inhibition of 5-(125I)A-85380 binding to nicotinic acetylcholine receptor (nAChR) of rat brain |
J Med Chem 47: 1303-14 (2004)
Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 |
More data for this Ligand-Target Pair | |
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor
(Homo sapiens (Human)) | BDBM50291352
((2,3-Dihydro-indol-1-yl)-[3-(1,3,4,9-tetrahydro-be...)Show SMILES O=C(N1CCc2ccccc12)c1cccc(CN2CCc3c(C2)[nH]c2ccccc32)c1 Show InChI InChI=1S/C27H25N3O/c31-27(30-15-12-20-7-1-4-11-26(20)30)21-8-5-6-19(16-21)17-29-14-13-23-22-9-2-3-10-24(22)28-25(23)18-29/h1-11,16,28H,12-15,17-18H2 | PDB MMDB
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| CHEMBL PC cid PC sid UniChem
| Article
| 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Compound was measured in vivo for its binding affinity at Alpha-1 adrenergic receptor using [3H]prazosin as radioligand. |
Bioorg Med Chem Lett 7: 763-768 (1997)
Article DOI: 10.1016/S0960-894X(97)00074-7 BindingDB Entry DOI: 10.7270/Q2FT8M1V |
More data for this Ligand-Target Pair | |
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor
(Homo sapiens (Human)) | BDBM50218398
(CHEMBL1907861)Show SMILES [H][C@@]1(CCN(CCc2ccc(F)cc2)C1)NC(=O)C12CC3([H])CC([H])(CC([H])(C3)C1)C2 |r,TLB:28:20:30:29.26.25,28:26:30:19.20.22,22:23:29:19.20.28,THB:22:20:29:30.23.25| Show InChI InChI=1S/C23H31FN2O/c24-20-3-1-16(2-4-20)5-7-26-8-6-21(15-26)25-22(27)23-12-17-9-18(13-23)11-19(10-17)14-23/h1-4,17-19,21H,5-15H2,(H,25,27)/t17?,18?,19?,21-,23?/m0/s1 | PDB MMDB
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| CHEMBL PC cid PC sid UniChem
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| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Welfide Corporation
Curated by ChEMBL
| Assay Description Ability to displace [3H]-Prazosin binding to Alpha-1 adrenergic receptor |
Bioorg Med Chem Lett 10: 2457-61 (2001)
BindingDB Entry DOI: 10.7270/Q2VT1SN2 |
More data for this Ligand-Target Pair | |
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor
(Homo sapiens (Human)) | BDBM35255
(2-Chlor-11-(2-dimethylaminoaethoxy)-dibenzo(b,f)-t...)Show InChI InChI=1S/C18H18ClNOS/c1-20(2)9-10-21-16-11-13-5-3-4-6-17(13)22-18-8-7-14(19)12-15(16)18/h3-8,11-12H,9-10H2,1-2H3 | PDB MMDB
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| Article PubMed
| 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards human alpha-1 adrenergic receptor |
J Med Chem 47: 1303-14 (2004)
Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 |
More data for this Ligand-Target Pair | |
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor
(Homo sapiens (Human)) | BDBM21395
(3-(2-(4-(4-Fluorobenzoyl)piperidinol)ethyl)-2,4(1H...)Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1 Show InChI InChI=1S/C22H22FN3O3/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29) | PDB MMDB
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| 3.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Welfide Corporation
Curated by ChEMBL
| Assay Description Ability to displace [3H]-Prazosin binding to Alpha-1 adrenergic receptor |
Bioorg Med Chem Lett 10: 2457-61 (2001)
BindingDB Entry DOI: 10.7270/Q2VT1SN2 |
More data for this Ligand-Target Pair | |
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor
(Homo sapiens (Human)) | BDBM50218396
(CHEMBL315259)Show SMILES O=C(N[C@H]1CCN(CCc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2 |TLB:23:22:25:17.18.19,23:18:25:24.22.21,THB:21:22:17:25.20.19,21:20:17:24.22.23| Show InChI InChI=1S/C23H32N2O/c26-22(23-13-18-10-19(14-23)12-20(11-18)15-23)24-21-7-9-25(16-21)8-6-17-4-2-1-3-5-17/h1-5,18-21H,6-16H2,(H,24,26)/t18?,19?,20?,21-,23?/m0/s1 | PDB MMDB
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| CHEMBL PC cid PC sid UniChem
| PubMed
| 6.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Welfide Corporation
Curated by ChEMBL
| Assay Description Ability to displace [3H]-Prazosin binding to Alpha-1 adrenergic receptor |
Bioorg Med Chem Lett 10: 2457-61 (2001)
BindingDB Entry DOI: 10.7270/Q2VT1SN2 |
More data for this Ligand-Target Pair | |
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor
(Homo sapiens (Human)) | BDBM50218388
(CHEMBL78986)Show SMILES O=C(N[C@@H]1CCN(CCc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2 |TLB:23:22:25:17.18.19,23:18:25:24.22.21,THB:21:22:17:25.20.19,21:20:17:24.22.23| Show InChI InChI=1S/C23H32N2O/c26-22(23-13-18-10-19(14-23)12-20(11-18)15-23)24-21-7-9-25(16-21)8-6-17-4-2-1-3-5-17/h1-5,18-21H,6-16H2,(H,24,26)/t18?,19?,20?,21-,23?/m1/s1 | PDB MMDB
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| CHEMBL PC cid PC sid UniChem
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| PubMed
| 6.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Welfide Corporation
Curated by ChEMBL
| Assay Description Ability to displace [3H]-Prazosin binding to Alpha-1 adrenergic receptor |
Bioorg Med Chem Lett 10: 2457-61 (2001)
BindingDB Entry DOI: 10.7270/Q2VT1SN2 |
More data for this Ligand-Target Pair | |
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor
(Homo sapiens (Human)) | BDBM50095890
(2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperaz...)Show SMILES OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2ccccc12 |t:13| Show InChI InChI=1S/C21H25N3O2S/c25-14-16-26-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22-21/h1-8,25H,9-16H2 | PDB MMDB
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| DrugBank Article PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to adrenergic alpha1 receptor (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127681 BindingDB Entry DOI: 10.7270/Q2BZ69PB |
More data for this Ligand-Target Pair | |
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor
(Homo sapiens (Human)) | BDBM50218392
(CHEMBL79277)Show SMILES Fc1ccccc1CCN1CCC(C1)NC(=O)C12CC3CC(CC(C3)C1)C2 |TLB:24:23:26:18.19.20,24:19:26:25.23.22,THB:22:23:18:26.21.20,22:21:18:25.23.24| Show InChI InChI=1S/C23H31FN2O/c24-21-4-2-1-3-19(21)5-7-26-8-6-20(15-26)25-22(27)23-12-16-9-17(13-23)11-18(10-16)14-23/h1-4,16-18,20H,5-15H2,(H,25,27) | PDB MMDB
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| CHEMBL PC cid PC sid UniChem
| PubMed
| 7.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Welfide Corporation
Curated by ChEMBL
| Assay Description Ability to displace [3H]-Prazosin binding to Alpha-1 adrenergic receptor |
Bioorg Med Chem Lett 10: 2457-61 (2001)
BindingDB Entry DOI: 10.7270/Q2VT1SN2 |
More data for this Ligand-Target Pair | |
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor
(Homo sapiens (Human)) | BDBM50048803
(5-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)et...)Show SMILES Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12 Show InChI InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27) | PDB MMDB
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| DrugBank Article PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to adrenergic alpha1 receptor (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127681 BindingDB Entry DOI: 10.7270/Q2BZ69PB |
More data for this Ligand-Target Pair | |
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor
(Homo sapiens (Human)) | BDBM50218399
(CHEMBL79643)Show SMILES Clc1ccc(CCN2CCC(C2)NC(=O)C23CC4CC(CC(C4)C2)C3)cc1 |TLB:22:21:24:16.17.18,22:17:24:23.21.20,THB:20:21:16:24.19.18,20:19:16:23.21.22| Show InChI InChI=1S/C23H31ClN2O/c24-20-3-1-16(2-4-20)5-7-26-8-6-21(15-26)25-22(27)23-12-17-9-18(13-23)11-19(10-17)14-23/h1-4,17-19,21H,5-15H2,(H,25,27) | PDB MMDB
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| CHEMBL PC cid PC sid UniChem
| PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Welfide Corporation
Curated by ChEMBL
| Assay Description Ability to displace [3H]-Prazosin binding to Alpha-1 adrenergic receptor |
Bioorg Med Chem Lett 10: 2457-61 (2001)
BindingDB Entry DOI: 10.7270/Q2VT1SN2 |
More data for this Ligand-Target Pair | |
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor
(Homo sapiens (Human)) | BDBM50289291
(2-Hydroxy-methylolanzapine | CHEMBL100454 | [10-(4...)Show InChI InChI=1S/C17H20N4OS/c1-20-6-8-21(9-7-20)16-13-10-12(11-22)23-17(13)19-15-5-3-2-4-14(15)18-16/h2-5,10,19,22H,6-9,11H2,1H3 | PDB MMDB
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| Article
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description In vitro binding affinity of compound against Alpha-1 adrenergic receptor |
Bioorg Med Chem Lett 7: 25-30 (1997)
Article DOI: 10.1016/S0960-894X(96)00567-7 BindingDB Entry DOI: 10.7270/Q2KD1XXP |
More data for this Ligand-Target Pair | |
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor
(Homo sapiens (Human)) | BDBM50048803
(5-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)et...)Show SMILES Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12 Show InChI InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27) | PDB MMDB
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| DrugBank Article PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc.
Curated by ChEMBL
| Assay Description Invitro evaluation against RXR-alpha in CV-1 cells by cotransfection assay was determined |
J Med Chem 47: 1303-14 (2004)
Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 |
More data for this Ligand-Target Pair | |
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor
(Homo sapiens (Human)) | BDBM35254
(2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3...)Show InChI InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3 | PDB MMDB
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| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description In vitro binding affinity of compound against Alpha-1 adrenergic receptor |
Bioorg Med Chem Lett 7: 25-30 (1997)
Article DOI: 10.1016/S0960-894X(96)00567-7 BindingDB Entry DOI: 10.7270/Q2KD1XXP |
More data for this Ligand-Target Pair | |
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor
(Homo sapiens (Human)) | BDBM50145347
(1-(2-(4-(6-fluoro-1H-indol-3-yl)-5,6-dihydropyridi...)Show SMILES NC(=O)c1ccc2C(CCN3CCC(=CC3)c3c[nH]c4cc(F)ccc34)OCCc2c1 |c:13| Show InChI InChI=1S/C25H26FN3O2/c26-19-2-4-21-22(15-28-23(21)14-19)16-5-9-29(10-6-16)11-7-24-20-3-1-18(25(27)30)13-17(20)8-12-31-24/h1-5,13-15,24,28H,6-12H2,(H2,27,30) | PDB MMDB
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| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Organon Laboratories
Curated by ChEMBL
| Assay Description Inhibition constant against alpha adrenergic receptor |
J Med Chem 48: 6523-43 (2005)
Article DOI: 10.1021/jm058225d BindingDB Entry DOI: 10.7270/Q2SF2WZ9 |
More data for this Ligand-Target Pair | |
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor
(Homo sapiens (Human)) | BDBM50218400
(CHEMBL1907669)Show SMILES [H][C@]1(CCN(CCc2ccc(F)cc2)C1)NC(=O)C12CC3([H])CC([H])(CC([H])(C3)C1)C2 |r,TLB:28:20:30:29.26.25,28:26:30:19.20.22,22:23:29:19.20.28,THB:22:20:29:30.23.25| Show InChI InChI=1S/C23H31FN2O/c24-20-3-1-16(2-4-20)5-7-26-8-6-21(15-26)25-22(27)23-12-17-9-18(13-23)11-19(10-17)14-23/h1-4,17-19,21H,5-15H2,(H,25,27)/t17?,18?,19?,21-,23?/m1/s1 | PDB MMDB
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| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Welfide Corporation
Curated by ChEMBL
| Assay Description Ability to displace [3H]-Prazosin binding to Alpha-1 adrenergic receptor |
Bioorg Med Chem Lett 10: 2457-61 (2001)
BindingDB Entry DOI: 10.7270/Q2VT1SN2 |
More data for this Ligand-Target Pair | |
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor
(Homo sapiens (Human)) | BDBM21398
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2 | PDB MMDB
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| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards human alpha-1 adrenergic receptor |
J Med Chem 47: 1303-14 (2004)
Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 |
More data for this Ligand-Target Pair | |
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor
(Homo sapiens (Human)) | BDBM35254
(2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3...)Show InChI InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3 | PDB MMDB
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| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to adrenergic alpha1 receptor (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127681 BindingDB Entry DOI: 10.7270/Q2BZ69PB |
More data for this Ligand-Target Pair | |
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor
(Homo sapiens (Human)) | BDBM50218395
(CHEMBL311095)Show SMILES O=C(NC1CCN(CCCCc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2 |TLB:25:24:27:19.20.21,25:20:27:26.24.23,THB:23:24:19:27.22.21,23:22:19:26.24.25| Show InChI InChI=1S/C25H36N2O/c28-24(25-15-20-12-21(16-25)14-22(13-20)17-25)26-23-9-11-27(18-23)10-5-4-8-19-6-2-1-3-7-19/h1-3,6-7,20-23H,4-5,8-18H2,(H,26,28) | PDB MMDB
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| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Welfide Corporation
Curated by ChEMBL
| Assay Description Ability to displace [3H]-Prazosin binding to Alpha-1 adrenergic receptor |
Bioorg Med Chem Lett 10: 2457-61 (2001)
BindingDB Entry DOI: 10.7270/Q2VT1SN2 |
More data for this Ligand-Target Pair | |
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor
(Homo sapiens (Human)) | BDBM50001885
((risperidone)3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-...)Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12 Show InChI InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3 | PDB MMDB
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| 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to alpha1 adrenergic receptor (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127506 BindingDB Entry DOI: 10.7270/Q2CR5Z20 |
More data for this Ligand-Target Pair | |
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor
(Homo sapiens (Human)) | BDBM50001884
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8| Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3 | PDB MMDB
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| 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc.
Curated by ChEMBL
| Assay Description Inhibition of currents when compound wascoapplied with acetylcholine to recombinant Torpedo nAcChoR (from 6 oocytes) |
J Med Chem 47: 1303-14 (2004)
Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 |
More data for this Ligand-Target Pair | |
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor
(Homo sapiens (Human)) | BDBM50218779
(CHEMBL306899)Show InChI InChI=1S/C21H27NO2/c23-20-8-6-19(7-9-20)21(24)12-15-22-13-10-18(11-14-22)16-17-4-2-1-3-5-17/h1-9,18,21,23-24H,10-16H2 | PDB MMDB
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| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description In vitro binding affinity towards Alpha-1 adrenergic receptor by displacing [3H]prazosin radioligand |
Bioorg Med Chem Lett 11: 2173-6 (2001)
BindingDB Entry DOI: 10.7270/Q2GF0SS8 |
More data for this Ligand-Target Pair | |
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor
(Homo sapiens (Human)) | BDBM50218397
(CHEMBL83611)Show SMILES O=C(NC1CCN(CCCc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2 |TLB:24:23:26:18.19.20,24:19:26:25.23.22,THB:22:23:18:26.21.20,22:21:18:25.23.24| Show InChI InChI=1S/C24H34N2O/c27-23(24-14-19-11-20(15-24)13-21(12-19)16-24)25-22-8-10-26(17-22)9-4-7-18-5-2-1-3-6-18/h1-3,5-6,19-22H,4,7-17H2,(H,25,27) | PDB MMDB
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| 29 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Welfide Corporation
Curated by ChEMBL
| Assay Description Ability to displace [3H]-Prazosin binding to Alpha-1 adrenergic receptor |
Bioorg Med Chem Lett 10: 2457-61 (2001)
BindingDB Entry DOI: 10.7270/Q2VT1SN2 |
More data for this Ligand-Target Pair | |
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor
(Homo sapiens (Human)) | BDBM50180054
(CHEMBL199824 | [O-methyl-11C]2-{4-[4-(7-methoxynap...)Show SMILES COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1 Show InChI InChI=1S/C23H29N5O3/c1-25-22(29)17-24-28(23(25)30)11-4-3-10-26-12-14-27(15-13-26)21-7-5-6-18-8-9-19(31-2)16-20(18)21/h5-9,16-17H,3-4,10-15H2,1-2H3 | PDB MMDB
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| 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University College of Physicians and Surgeons
Curated by ChEMBL
| Assay Description Binding affinity to adrenergic alpha-1 receptor |
J Med Chem 49: 125-34 (2006)
Article DOI: 10.1021/jm050725j BindingDB Entry DOI: 10.7270/Q2R49QBD |
More data for this Ligand-Target Pair | |
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor
(Homo sapiens (Human)) | BDBM50291350
(CHEMBL423632 | Piperidin-1-yl-[3-(1,3,4,9-tetrahyd...)Show SMILES O=C(N1CCCCC1)c1cccc(CN2CCc3c(C2)[nH]c2ccccc32)c1 Show InChI InChI=1S/C24H27N3O/c28-24(27-12-4-1-5-13-27)19-8-6-7-18(15-19)16-26-14-11-21-20-9-2-3-10-22(20)25-23(21)17-26/h2-3,6-10,15,25H,1,4-5,11-14,16-17H2 | PDB MMDB
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| 36 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Compound was measured in vivo for its binding affinity at Alpha-1 adrenergic receptor using [3H]prazosin as radioligand. |
Bioorg Med Chem Lett 7: 763-768 (1997)
Article DOI: 10.1016/S0960-894X(97)00074-7 BindingDB Entry DOI: 10.7270/Q2FT8M1V |
More data for this Ligand-Target Pair | |
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor
(Homo sapiens (Human)) | BDBM85067
(CAS_170856-41-4 | CHEMBL81330 | PNU 96415E | PNU-9...)Show InChI InChI=1S/C21H25FN2O/c22-18-5-7-19(8-6-18)24-14-12-23(13-15-24)11-9-21-20-4-2-1-3-17(20)10-16-25-21/h1-8,21H,9-16H2 | PDB MMDB
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| 38 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Pharmaceutical Sciences, College of Pharmacy, University of Nebraska Medical Center , Omaha, Nebraska 68198-6125, United States.
Curated by ChEMBL
| Assay Description Inhibition of alpha1 adrenergic receptor (unknown origin) |
J Med Chem 60: 7233-7243 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00151 BindingDB Entry DOI: 10.7270/Q2P84FBZ |
More data for this Ligand-Target Pair | |
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor
(Homo sapiens (Human)) | BDBM50213356
(CHEMBL310997)Show SMILES Oc1ccc(C[C@H]2CCCN2CCCCCCN2CCC[C@@H]2Cc2ccc(O)c(O)c2)cc1O Show InChI InChI=1S/C28H40N2O4/c31-25-11-9-21(19-27(25)33)17-23-7-5-15-29(23)13-3-1-2-4-14-30-16-6-8-24(30)18-22-10-12-26(32)28(34)20-22/h9-12,19-20,23-24,31-34H,1-8,13-18H2/t23-,24-/m1/s1 | PDB MMDB
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| | 56 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Compound was tested for its binding affinity against Alpha-1 adrenergic receptor |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2930WC4 |
More data for this Ligand-Target Pair | |
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor
(Homo sapiens (Human)) | BDBM50130293
(7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...)Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29) | PDB MMDB
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| 57 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to adrenergic alpha1 receptor (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127681 BindingDB Entry DOI: 10.7270/Q2BZ69PB |
More data for this Ligand-Target Pair | |
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor
(Homo sapiens (Human)) | BDBM50095890
(2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperaz...)Show SMILES OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2ccccc12 |t:13| Show InChI InChI=1S/C21H25N3O2S/c25-14-16-26-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22-21/h1-8,25H,9-16H2 | PDB MMDB
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| 58 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc.
Curated by ChEMBL
| Assay Description Binding affinity towards human alpha-1 adrenergic receptor |
J Med Chem 47: 1303-14 (2004)
Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 |
More data for this Ligand-Target Pair | |
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor
(Homo sapiens (Human)) | BDBM35254
(2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3...)Show InChI InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3 | PDB MMDB
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| 60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prestwick Chemical Inc.
Curated by ChEMBL
| Assay Description Binding affinity for Retinoic acid receptor RXR-alpha was determined by competing with 3[H]-9-cis-RA |
J Med Chem 47: 1303-14 (2004)
Article DOI: 10.1021/jm030480f BindingDB Entry DOI: 10.7270/Q2FN16X5 |
More data for this Ligand-Target Pair | |
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor
(Homo sapiens (Human)) | BDBM50218387
(CHEMBL315064)Show SMILES FC(F)(F)c1ccc(CCN2CCC(C2)NC(=O)C23CC4CC(CC(C4)C2)C3)cc1 |TLB:21:22:26:19.20.25,25:24:27:19.20.21,25:20:27:26.24.23,THB:21:20:26:27.22.23| Show InChI InChI=1S/C24H31F3N2O/c25-24(26,27)20-3-1-16(2-4-20)5-7-29-8-6-21(15-29)28-22(30)23-12-17-9-18(13-23)11-19(10-17)14-23/h1-4,17-19,21H,5-15H2,(H,28,30) | PDB MMDB
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| 62 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Welfide Corporation
Curated by ChEMBL
| Assay Description Ability to displace [3H]-Prazosin binding to Alpha-1 adrenergic receptor |
Bioorg Med Chem Lett 10: 2457-61 (2001)
BindingDB Entry DOI: 10.7270/Q2VT1SN2 |
More data for this Ligand-Target Pair | |
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor
(Homo sapiens (Human)) | BDBM50240701
(2-Methyl-10-piperazin-1-yl-4H-3-thia-4,9-diaza-ben...)Show InChI InChI=1S/C16H18N4S/c1-11-10-12-15(20-8-6-17-7-9-20)18-13-4-2-3-5-14(13)19-16(12)21-11/h2-5,10,17,19H,6-9H2,1H3 | PDB MMDB
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| 80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description In vitro binding affinity of compound against Alpha-1 adrenergic receptor |
Bioorg Med Chem Lett 7: 25-30 (1997)
Article DOI: 10.1016/S0960-894X(96)00567-7 BindingDB Entry DOI: 10.7270/Q2KD1XXP |
More data for this Ligand-Target Pair | |
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor
(Homo sapiens (Human)) | BDBM50218777
(CHEMBL66626)Show InChI InChI=1S/C22H29NO/c1-18(15-20-7-9-22(24)10-8-20)17-23-13-11-21(12-14-23)16-19-5-3-2-4-6-19/h2-10,18,21,24H,11-17H2,1H3 | PDB MMDB
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| 92 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description In vitro binding affinity towards Alpha-1 adrenergic receptor by displacing [3H]prazosin radioligand |
Bioorg Med Chem Lett 11: 2173-6 (2001)
BindingDB Entry DOI: 10.7270/Q2GF0SS8 |
More data for this Ligand-Target Pair | |
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor
(Homo sapiens (Human)) | BDBM50218394
(CHEMBL310801)Show InChI InChI=1S/C19H22N2O/c22-19(17-9-5-2-6-10-17)20-18-12-14-21(15-18)13-11-16-7-3-1-4-8-16/h1-10,18H,11-15H2,(H,20,22)/t18-/m1/s1 | PDB MMDB
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UniProtKB/SwissProt
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| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 93 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Welfide Corporation
Curated by ChEMBL
| Assay Description Ability to displace [3H]-Prazosin binding to Alpha-1 adrenergic receptor |
Bioorg Med Chem Lett 10: 2457-61 (2001)
BindingDB Entry DOI: 10.7270/Q2VT1SN2 |
More data for this Ligand-Target Pair | |
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor
(Homo sapiens (Human)) | BDBM50218391
(CHEMBL79528)Show SMILES Fc1cccc(CCN2CCC(C2)NC(=O)C23CC4CC(CC(C4)C2)C3)c1 |TLB:23:22:25:17.18.19,23:18:25:24.22.21,THB:21:22:17:25.20.19,21:20:17:24.22.23| Show InChI InChI=1S/C23H31FN2O/c24-20-3-1-2-16(11-20)4-6-26-7-5-21(15-26)25-22(27)23-12-17-8-18(13-23)10-19(9-17)14-23/h1-3,11,17-19,21H,4-10,12-15H2,(H,25,27) | PDB MMDB
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UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| PubMed
| 97 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Welfide Corporation
Curated by ChEMBL
| Assay Description Ability to displace [3H]-Prazosin binding to Alpha-1 adrenergic receptor |
Bioorg Med Chem Lett 10: 2457-61 (2001)
BindingDB Entry DOI: 10.7270/Q2VT1SN2 |
More data for this Ligand-Target Pair | |
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor
(Homo sapiens (Human)) | BDBM50093797
(Adamantane-1-carboxylic acid {1-[2-(4-cyano-phenyl...)Show SMILES O=C(NC1CCN(CCc2ccc(cc2)C#N)C1)C12CC3CC(CC(C3)C1)C2 |TLB:21:22:26:19.20.25,THB:23:24:19:27.22.21,23:22:19:26.24.25,21:20:26:27.22.23| Show InChI InChI=1S/C24H31N3O/c25-15-18-3-1-17(2-4-18)5-7-27-8-6-22(16-27)26-23(28)24-12-19-9-20(13-24)11-21(10-19)14-24/h1-4,19-22H,5-14,16H2,(H,26,28) | PDB MMDB
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UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Welfide Corporation
Curated by ChEMBL
| Assay Description Ability to displace [3H]-Prazosin binding to Alpha-1 adrenergic receptor |
Bioorg Med Chem Lett 10: 2457-61 (2001)
BindingDB Entry DOI: 10.7270/Q2VT1SN2 |
More data for this Ligand-Target Pair | |
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor
(Homo sapiens (Human)) | BDBM50093796
(Adamantane-1-carboxylic acid {1-[2-(4-methoxy-phen...)Show SMILES COc1ccc(CCN2CCC(C2)NC(=O)C23CC4CC(CC(C4)C2)C3)cc1 |TLB:23:22:25:17.18.19,23:18:25:24.22.21,THB:21:22:17:25.20.19,21:20:17:24.22.23| Show InChI InChI=1S/C24H34N2O2/c1-28-22-4-2-17(3-5-22)6-8-26-9-7-21(16-26)25-23(27)24-13-18-10-19(14-24)12-20(11-18)15-24/h2-5,18-21H,6-16H2,1H3,(H,25,27) | PDB MMDB
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UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Welfide Corporation
Curated by ChEMBL
| Assay Description Ability to displace [3H]-Prazosin binding to Alpha-1 adrenergic receptor |
Bioorg Med Chem Lett 10: 2457-61 (2001)
BindingDB Entry DOI: 10.7270/Q2VT1SN2 |
More data for this Ligand-Target Pair | |
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor
(Homo sapiens (Human)) | BDBM50213212
(CHEMBL50390)Show InChI InChI=1S/C12H15N3O2/c1-8-9(15-12-13-4-5-14-12)2-3-10-11(8)17-7-6-16-10/h2-3H,4-7H2,1H3,(H2,13,14,15) | PDB MMDB
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UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| | 130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity for Alpha-1 adrenergic receptor of human cerebral cortex membrane |
Citation and Details
BindingDB Entry DOI: 10.7270/Q22J6F1V |
More data for this Ligand-Target Pair | |
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor
(Homo sapiens (Human)) | BDBM50218401
(CHEMBL309551)Show InChI InChI=1S/C19H28N2O/c22-19(17-9-5-2-6-10-17)20-18-12-14-21(15-18)13-11-16-7-3-1-4-8-16/h1,3-4,7-8,17-18H,2,5-6,9-15H2,(H,20,22)/t18-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| PubMed
| 140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Welfide Corporation
Curated by ChEMBL
| Assay Description Ability to displace [3H]-Prazosin binding to Alpha-1 adrenergic receptor |
Bioorg Med Chem Lett 10: 2457-61 (2001)
BindingDB Entry DOI: 10.7270/Q2VT1SN2 |
More data for this Ligand-Target Pair | |
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor
(Homo sapiens (Human)) | BDBM50175501
(3-Chloro-7-{2-[(R)-4-(6-fluoro-naphthalen-1-yl)-2-...)Show SMILES C[C@@H]1CN(CCN1CCC1OCCc2c(Cl)c(sc12)C(N)=O)c1cccc2cc(F)ccc12 Show InChI InChI=1S/C25H27ClFN3O2S/c1-15-14-30(20-4-2-3-16-13-17(27)5-6-18(16)20)11-10-29(15)9-7-21-23-19(8-12-32-21)22(26)24(33-23)25(28)31/h2-6,13,15,21H,7-12,14H2,1H3,(H2,28,31)/t15-,21?/m1/s1 | PDB MMDB
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UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Organon Laboratories
Curated by ChEMBL
| Assay Description Inhibition constant against alpha adrenergic receptor |
J Med Chem 48: 6523-43 (2005)
Article DOI: 10.1021/jm058225d BindingDB Entry DOI: 10.7270/Q2SF2WZ9 |
More data for this Ligand-Target Pair | |
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor
(Homo sapiens (Human)) | BDBM60917
(9-chloranyl-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro...)Show InChI InChI=1S/C16H16ClNO3/c17-15-11-5-6-18-8-13(9-1-3-10(19)4-2-9)12(11)7-14(20)16(15)21/h1-4,7,13,18-21H,5-6,8H2 | PDB MMDB
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DrugBank MCE KEGG PC cid PC sid PDB UniChem
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| DrugBank
| 151 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Compound was tested for its binding affinity against Alpha-1 adrenergic receptor |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2930WC4 |
More data for this Ligand-Target Pair | |
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor
(Homo sapiens (Human)) | BDBM50080029
(4-((1R,2S)-3-(4-benzylpiperidin-1-yl)-1-hydroxy-2-...)Show SMILES C[C@@H](CN1CCC(Cc2ccccc2)CC1)[C@@H](O)c1ccc(O)cc1 |r| Show InChI InChI=1S/C22H29NO2/c1-17(22(25)20-7-9-21(24)10-8-20)16-23-13-11-19(12-14-23)15-18-5-3-2-4-6-18/h2-10,17,19,22,24-25H,11-16H2,1H3/t17-,22+/m0/s1 | PDB MMDB
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CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PubMed
| 180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description In vitro binding affinity towards Alpha-1 adrenergic receptor by displacing [3H]prazosin radioligand |
Bioorg Med Chem Lett 11: 2173-6 (2001)
BindingDB Entry DOI: 10.7270/Q2GF0SS8 |
More data for this Ligand-Target Pair | |
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor
(Homo sapiens (Human)) | BDBM50561102
(CHEMBL4794963)Show SMILES CC(=O)Nc1ccc(OCCCCN2CCC(CC2)c2noc3cc(F)ccc23)cc1 | PDB MMDB
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UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 195 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to alpha1 adrenergic receptor (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127506 BindingDB Entry DOI: 10.7270/Q2CR5Z20 |
More data for this Ligand-Target Pair | |
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor
(Homo sapiens (Human)) | BDBM50291347
(CHEMBL164330 | Piperidin-1-yl-[3-(3,4,10,10a-tetra...)Show SMILES O=C(N1CCCCC1)c1cccc(CN2CCN3C(COc4ccccc34)C2)c1 Show InChI InChI=1S/C24H29N3O2/c28-24(26-11-4-1-5-12-26)20-8-6-7-19(15-20)16-25-13-14-27-21(17-25)18-29-23-10-3-2-9-22(23)27/h2-3,6-10,15,21H,1,4-5,11-14,16-18H2 | PDB MMDB
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UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article
| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Compound was measured in vivo for its binding affinity at Alpha-1 adrenergic receptor using [3H]prazosin as radioligand. |
Bioorg Med Chem Lett 7: 763-768 (1997)
Article DOI: 10.1016/S0960-894X(97)00074-7 BindingDB Entry DOI: 10.7270/Q2FT8M1V |
More data for this Ligand-Target Pair | |