Found 22 hits Enz. Inhib. hit(s) with Target = 'Alpha-1A adrenergic receptor' and Ligand = 'BDBM50026917' Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Alpha-1A adrenergic receptor
(Homo sapiens (Human)) | BDBM50026917
(8-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)-8-a...)Show SMILES COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 Show InChI InChI=1S/C22H31N3O3/c1-28-19-7-3-2-6-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-22(17-21(25)27)8-4-5-9-22/h2-3,6-7H,4-5,8-17H2,1H3 | PDB
Reactome pathway KEGG
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| Article PubMed
| 42.7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Catania
Curated by ChEMBL
| Assay Description Binding affinity to adrenergic alpha1A receptor |
Eur J Med Chem 46: 2676-90 (2011)
Article DOI: 10.1016/j.ejmech.2011.03.054 BindingDB Entry DOI: 10.7270/Q25140G9 |
More data for this Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(CALF) | BDBM50026917
(8-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)-8-a...)Show SMILES COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 Show InChI InChI=1S/C22H31N3O3/c1-28-19-7-3-2-6-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-22(17-21(25)27)8-4-5-9-22/h2-3,6-7H,4-5,8-17H2,1H3 | PDB
KEGG
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| 43 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Binding affinity towards bovine Alpha-1A adrenergic receptor |
Bioorg Med Chem Lett 11: 1119-21 (2001)
BindingDB Entry DOI: 10.7270/Q20V8DBQ |
More data for this Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(PIG) | BDBM50026917
(8-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)-8-a...)Show SMILES COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 Show InChI InChI=1S/C22H31N3O3/c1-28-19-7-3-2-6-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-22(17-21(25)27)8-4-5-9-22/h2-3,6-7H,4-5,8-17H2,1H3 | UniProtKB/SwissProt
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| Article PubMed
| 79.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by PDSP Ki Database
| |
Eur J Pharmacol 347: 301-9 (1998)
Article DOI: 10.1016/s0014-2999(98)00104-6 BindingDB Entry DOI: 10.7270/Q2GT5KQK |
More data for this Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Rattus norvegicus (Rat)) | BDBM50026917
(8-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)-8-a...)Show SMILES COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 Show InChI InChI=1S/C22H31N3O3/c1-28-19-7-3-2-6-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-22(17-21(25)27)8-4-5-9-22/h2-3,6-7H,4-5,8-17H2,1H3 | PDB
KEGG
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| 112 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description In vitro functional activity at Alpha-1B adrenergic receptor in rat spleen |
Bioorg Med Chem Lett 11: 1119-21 (2001)
BindingDB Entry DOI: 10.7270/Q20V8DBQ |
More data for this Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Homo sapiens (Human)) | BDBM50026917
(8-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)-8-a...)Show SMILES COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 Show InChI InChI=1S/C22H31N3O3/c1-28-19-7-3-2-6-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-22(17-21(25)27)8-4-5-9-22/h2-3,6-7H,4-5,8-17H2,1H3 | PDB
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| 130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Binding affinity for human Alpha-1A adrenergic receptor |
Bioorg Med Chem Lett 11: 1119-21 (2001)
BindingDB Entry DOI: 10.7270/Q20V8DBQ |
More data for this Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(PIG) | BDBM50026917
(8-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)-8-a...)Show SMILES COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 Show InChI InChI=1S/C22H31N3O3/c1-28-19-7-3-2-6-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-22(17-21(25)27)8-4-5-9-22/h2-3,6-7H,4-5,8-17H2,1H3 | UniProtKB/SwissProt
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| 158 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by PDSP Ki Database
| |
Eur J Pharmacol 347: 301-9 (1998)
Article DOI: 10.1016/s0014-2999(98)00104-6 BindingDB Entry DOI: 10.7270/Q2GT5KQK |
More data for this Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Homo sapiens (Human)) | BDBM50026917
(8-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)-8-a...)Show SMILES COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 Show InChI InChI=1S/C22H31N3O3/c1-28-19-7-3-2-6-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-22(17-21(25)27)8-4-5-9-22/h2-3,6-7H,4-5,8-17H2,1H3 | PDB
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| Article PubMed
| 250 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description Binding constant measured against Alpha-1A adrenergic receptor in human prostate; +:inactive |
Bioorg Med Chem Lett 15: 657-64 (2005)
Article DOI: 10.1016/j.bmcl.2004.11.032 BindingDB Entry DOI: 10.7270/Q2SN08GW |
More data for this Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Homo sapiens (Human)) | BDBM50026917
(8-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)-8-a...)Show SMILES COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 Show InChI InChI=1S/C22H31N3O3/c1-28-19-7-3-2-6-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-22(17-21(25)27)8-4-5-9-22/h2-3,6-7H,4-5,8-17H2,1H3 | PDB
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| Article PubMed
| 251 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Catania
Curated by ChEMBL
| Assay Description In vitro binding affinity at human Alpha-1A adrenergic receptor. |
J Med Chem 46: 2877-94 (2003)
Article DOI: 10.1021/jm0307741 BindingDB Entry DOI: 10.7270/Q2G73FFQ |
More data for this Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Homo sapiens (Human)) | BDBM50026917
(8-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)-8-a...)Show SMILES COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 Show InChI InChI=1S/C22H31N3O3/c1-28-19-7-3-2-6-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-22(17-21(25)27)8-4-5-9-22/h2-3,6-7H,4-5,8-17H2,1H3 | PDB
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| Article PubMed
| 290 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description Binding affinity for human Alpha-1A adrenergic receptor |
J Med Chem 48: 3076-9 (2005)
Article DOI: 10.1021/jm0491391 BindingDB Entry DOI: 10.7270/Q2445M0K |
More data for this Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Homo sapiens (Human)) | BDBM50026917
(8-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)-8-a...)Show SMILES COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 Show InChI InChI=1S/C22H31N3O3/c1-28-19-7-3-2-6-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-22(17-21(25)27)8-4-5-9-22/h2-3,6-7H,4-5,8-17H2,1H3 | PDB
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| Article PubMed
| 294 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description Compound was tested for its binding affinity utilizing cloned receptor binding assays by using [125 I]HEAT as radioligand to the human Alpha-1A adren... |
J Med Chem 41: 1205-8 (1998)
Article DOI: 10.1021/jm980053f BindingDB Entry DOI: 10.7270/Q2XG9Q72 |
More data for this Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Homo sapiens (Human)) | BDBM50026917
(8-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)-8-a...)Show SMILES COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 Show InChI InChI=1S/C22H31N3O3/c1-28-19-7-3-2-6-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-22(17-21(25)27)8-4-5-9-22/h2-3,6-7H,4-5,8-17H2,1H3 | PDB
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| Article PubMed
| 380 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Camerino
Curated by ChEMBL
| Assay Description Displacement of [3H]prazosin from human recombinant alpha1A adrenergic receptor expressed in CHO cell membranes after 30 mins |
J Med Chem 56: 584-8 (2013)
Article DOI: 10.1021/jm301525w BindingDB Entry DOI: 10.7270/Q2474CDQ |
More data for this Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Homo sapiens (Human)) | BDBM50026917
(8-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)-8-a...)Show SMILES COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 Show InChI InChI=1S/C22H31N3O3/c1-28-19-7-3-2-6-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-22(17-21(25)27)8-4-5-9-22/h2-3,6-7H,4-5,8-17H2,1H3 | PDB
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| Article PubMed
| 380 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bologna
Curated by ChEMBL
| Assay Description Displacement of [3H]prazosin from human cloned Alpha-1A adrenergic receptor |
J Med Chem 42: 4214-24 (1999)
Article DOI: 10.1021/jm991065j BindingDB Entry DOI: 10.7270/Q2TF012V |
More data for this Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Homo sapiens (Human)) | BDBM50026917
(8-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)-8-a...)Show SMILES COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 Show InChI InChI=1S/C22H31N3O3/c1-28-19-7-3-2-6-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-22(17-21(25)27)8-4-5-9-22/h2-3,6-7H,4-5,8-17H2,1H3 | PDB
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| Article PubMed
| 380 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Camerino
Curated by ChEMBL
| Assay Description Displacement of [3H]Prazosin from human recombinant alpha 1A adrenergic receptor expressed in CHO cells incubated for 30 mins by radioligand competit... |
Eur J Med Chem 168: 461-473 (2019)
Article DOI: 10.1016/j.ejmech.2019.02.056 BindingDB Entry DOI: 10.7270/Q2WM1HT7 |
More data for this Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Homo sapiens (Human)) | BDBM50026917
(8-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)-8-a...)Show SMILES COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 Show InChI InChI=1S/C22H31N3O3/c1-28-19-7-3-2-6-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-22(17-21(25)27)8-4-5-9-22/h2-3,6-7H,4-5,8-17H2,1H3 | PDB
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| Article PubMed
| 380 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Camerino
Curated by ChEMBL
| Assay Description Displacement of [3H]prazosin from recombinant human alpha-1a adrenergic receptor expressed in CHO cell membranes after 30 mins by liquid scintillatio... |
Eur J Med Chem 125: 233-244 (2017)
Article DOI: 10.1016/j.ejmech.2016.09.026 BindingDB Entry DOI: 10.7270/Q21C20BZ |
More data for this Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Homo sapiens (Human)) | BDBM50026917
(8-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)-8-a...)Show SMILES COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 Show InChI InChI=1S/C22H31N3O3/c1-28-19-7-3-2-6-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-22(17-21(25)27)8-4-5-9-22/h2-3,6-7H,4-5,8-17H2,1H3 | PDB
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| Article PubMed
| 380 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Camerino
Curated by ChEMBL
| Assay Description Displacement of [3H]prazosin from human cloned alpha1A adrenoceptor expressed in CHO cells |
J Med Chem 51: 6359-70 (2008)
Article DOI: 10.1021/jm800461k BindingDB Entry DOI: 10.7270/Q2S183R7 |
More data for this Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Homo sapiens (Human)) | BDBM50026917
(8-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)-8-a...)Show SMILES COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 Show InChI InChI=1S/C22H31N3O3/c1-28-19-7-3-2-6-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-22(17-21(25)27)8-4-5-9-22/h2-3,6-7H,4-5,8-17H2,1H3 | PDB
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| Article PubMed
| 380 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description Displacement of [3H]prazosin from human alpha1A adrenergic receptor expressed in CHO cells |
Bioorg Med Chem Lett 20: 2017-20 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.030 BindingDB Entry DOI: 10.7270/Q2X34ZQJ |
More data for this Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Homo sapiens (Human)) | BDBM50026917
(8-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)-8-a...)Show SMILES COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 Show InChI InChI=1S/C22H31N3O3/c1-28-19-7-3-2-6-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-22(17-21(25)27)8-4-5-9-22/h2-3,6-7H,4-5,8-17H2,1H3 | PDB
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| Article PubMed
| 380 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description Displacement [3H]prazosin of human recombinant alpha1A adrenergic receptor expressed in CHO cells by rapid filtration technique |
Eur J Med Chem 45: 3740-51 (2010)
Article DOI: 10.1016/j.ejmech.2010.05.023 BindingDB Entry DOI: 10.7270/Q2ZS2XR1 |
More data for this Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Homo sapiens (Human)) | BDBM50026917
(8-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)-8-a...)Show SMILES COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 Show InChI InChI=1S/C22H31N3O3/c1-28-19-7-3-2-6-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-22(17-21(25)27)8-4-5-9-22/h2-3,6-7H,4-5,8-17H2,1H3 | PDB
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| Article PubMed
| 380 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description Displacement of [3H]prazosin from human recombinant alpha1A adrenoceptor expressed in CHO cells after 30 mins by liquid scintillation counting |
J Med Chem 55: 23-36 (2012)
Article DOI: 10.1021/jm200421e BindingDB Entry DOI: 10.7270/Q2G44RKK |
More data for this Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Homo sapiens (Human)) | BDBM50026917
(8-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)-8-a...)Show SMILES COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 Show InChI InChI=1S/C22H31N3O3/c1-28-19-7-3-2-6-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-22(17-21(25)27)8-4-5-9-22/h2-3,6-7H,4-5,8-17H2,1H3 | PDB
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| Article PubMed
| 389 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Modena e Reggio Emilia
Curated by ChEMBL
| Assay Description Displacement of [3H]prazosin from recombinant human alpha1a adrenergic receptor expressed in CHO cell membranes after 30 mins by TopCount liquid scin... |
Eur J Med Chem 125: 435-452 (2017)
Article DOI: 10.1016/j.ejmech.2016.09.050 BindingDB Entry DOI: 10.7270/Q2BG2R46 |
More data for this Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Rattus norvegicus (Rat)) | BDBM50026917
(8-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)-8-a...)Show SMILES COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 Show InChI InChI=1S/C22H31N3O3/c1-28-19-7-3-2-6-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-22(17-21(25)27)8-4-5-9-22/h2-3,6-7H,4-5,8-17H2,1H3 | PDB
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| Article PubMed
| 495 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Recordati s.p.a.
Curated by ChEMBL
| Assay Description In vitro binding affinity towards alpha-1A adrenergic receptor through displacement of [3H]-prazosin in epididymal rat vas deferens. |
J Med Chem 47: 1900-18 (2004)
Article DOI: 10.1021/jm030944+ BindingDB Entry DOI: 10.7270/Q23F4P35 |
More data for this Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Rattus norvegicus (Rat)) | BDBM50026917
(8-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)-8-a...)Show SMILES COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 Show InChI InChI=1S/C22H31N3O3/c1-28-19-7-3-2-6-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-22(17-21(25)27)8-4-5-9-22/h2-3,6-7H,4-5,8-17H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
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CHEMBL MCE PC cid PC sid UniChem
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| Article PubMed
| 620 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description Compound was evaluated for its ability to displace [125I]-HEAT binding from rat Alpha-1A adrenergic receptor |
J Med Chem 41: 1205-8 (1998)
Article DOI: 10.1021/jm980053f BindingDB Entry DOI: 10.7270/Q2XG9Q72 |
More data for this Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(PIG) | BDBM50026917
(8-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)-8-a...)Show SMILES COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 Show InChI InChI=1S/C22H31N3O3/c1-28-19-7-3-2-6-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-22(17-21(25)27)8-4-5-9-22/h2-3,6-7H,4-5,8-17H2,1H3 | UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 631 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by PDSP Ki Database
| |
Eur J Pharmacol 347: 301-9 (1998)
Article DOI: 10.1016/s0014-2999(98)00104-6 BindingDB Entry DOI: 10.7270/Q2GT5KQK |
More data for this Ligand-Target Pair | |