Found 7 hits Enz. Inhib. hit(s) with Target = 'Alpha-1A adrenergic receptor' and Ligand = 'BDBM86731' 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)) | BDBM86731
(CAS_74191-85-8 | Doxazosin | UK 33,274)Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2ccccc2O1 Show InChI InChI=1S/C23H25N5O5/c1-30-18-11-14-15(12-19(18)31-2)25-23(26-21(14)24)28-9-7-27(8-10-28)22(29)20-13-32-16-5-3-4-6-17(16)33-20/h3-6,11-12,20H,7-10,13H2,1-2H3,(H2,24,25,26) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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DrugBank MCE KEGG PC cid PC sid UniChem
Similars
| DrugBank Article PubMed
| 0.537 | 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 alpha1A adrenoceptor expressed in CHO cells |
J Med Chem 52: 4951-4 (2009)
Article DOI: 10.1021/jm8016046 BindingDB Entry DOI: 10.7270/Q2NZ88W5 |
More data for this Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Homo sapiens (Human)) | BDBM86731
(CAS_74191-85-8 | Doxazosin | UK 33,274)Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2ccccc2O1 Show InChI InChI=1S/C23H25N5O5/c1-30-18-11-14-15(12-19(18)31-2)25-23(26-21(14)24)28-9-7-27(8-10-28)22(29)20-13-32-16-5-3-4-6-17(16)33-20/h3-6,11-12,20H,7-10,13H2,1-2H3,(H2,24,25,26) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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DrugBank MCE KEGG PC cid PC sid UniChem
Similars
| DrugBank Article PubMed
| 0.537 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Camerino
Curated by ChEMBL
| Assay Description Displacement of [3H]prazosin from cloned human ADRA1A expressed in CHO cells |
J Med Chem 48: 7750-63 (2005)
Article DOI: 10.1021/jm0580398 BindingDB Entry DOI: 10.7270/Q22V2JVF |
More data for this Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Homo sapiens (Human)) | BDBM86731
(CAS_74191-85-8 | Doxazosin | UK 33,274)Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2ccccc2O1 Show InChI InChI=1S/C23H25N5O5/c1-30-18-11-14-15(12-19(18)31-2)25-23(26-21(14)24)28-9-7-27(8-10-28)22(29)20-13-32-16-5-3-4-6-17(16)33-20/h3-6,11-12,20H,7-10,13H2,1-2H3,(H2,24,25,26) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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DrugBank MCE KEGG PC cid PC sid UniChem
Similars
| DrugBank Article PubMed
| 0.776 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Alma Mater Studiorum-University of Bologna
Curated by ChEMBL
| Assay Description Displacement of [3H]prazosin from human alpha1A adrenoceptor expressed in CHO cell membranes after 30 mins |
Eur J Med Chem 136: 259-269 (2017)
Article DOI: 10.1016/j.ejmech.2017.05.003 BindingDB Entry DOI: 10.7270/Q2W95CQN |
More data for this Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Homo sapiens (Human)) | BDBM86731
(CAS_74191-85-8 | Doxazosin | UK 33,274)Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2ccccc2O1 Show InChI InChI=1S/C23H25N5O5/c1-30-18-11-14-15(12-19(18)31-2)25-23(26-21(14)24)28-9-7-27(8-10-28)22(29)20-13-32-16-5-3-4-6-17(16)33-20/h3-6,11-12,20H,7-10,13H2,1-2H3,(H2,24,25,26) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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DrugBank MCE KEGG PC cid PC sid UniChem
Similars
| DrugBank PubMed
| 2.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description Binding affinity against Alpha-1A adrenergic receptor from human clone |
J Med Chem 38: 3415-44 (1995)
BindingDB Entry DOI: 10.7270/Q20G3J6W |
More data for this Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Homo sapiens (Human)) | BDBM86731
(CAS_74191-85-8 | Doxazosin | UK 33,274)Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2ccccc2O1 Show InChI InChI=1S/C23H25N5O5/c1-30-18-11-14-15(12-19(18)31-2)25-23(26-21(14)24)28-9-7-27(8-10-28)22(29)20-13-32-16-5-3-4-6-17(16)33-20/h3-6,11-12,20H,7-10,13H2,1-2H3,(H2,24,25,26) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
DrugBank MCE KEGG PC cid PC sid UniChem
Similars
| DrugBank Article PubMed
| 3.16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Dublin
Curated by PDSP Ki Database
| |
J Med Chem 49: 501-10 (2006)
Article DOI: 10.1021/jm0503751 BindingDB Entry DOI: 10.7270/Q29G5KC3 |
More data for this Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Homo sapiens (Human)) | BDBM86731
(CAS_74191-85-8 | Doxazosin | UK 33,274)Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2ccccc2O1 Show InChI InChI=1S/C23H25N5O5/c1-30-18-11-14-15(12-19(18)31-2)25-23(26-21(14)24)28-9-7-27(8-10-28)22(29)20-13-32-16-5-3-4-6-17(16)33-20/h3-6,11-12,20H,7-10,13H2,1-2H3,(H2,24,25,26) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
DrugBank MCE KEGG PC cid PC sid UniChem
Similars
| DrugBank Article PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Dublin
Curated by PDSP Ki Database
| |
J Med Chem 49: 501-10 (2006)
Article DOI: 10.1021/jm0503751 BindingDB Entry DOI: 10.7270/Q29G5KC3 |
More data for this Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Rattus norvegicus (Rat)) | BDBM86731
(CAS_74191-85-8 | Doxazosin | UK 33,274)Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2ccccc2O1 Show InChI InChI=1S/C23H25N5O5/c1-30-18-11-14-15(12-19(18)31-2)25-23(26-21(14)24)28-9-7-27(8-10-28)22(29)20-13-32-16-5-3-4-6-17(16)33-20/h3-6,11-12,20H,7-10,13H2,1-2H3,(H2,24,25,26) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
DrugBank MCE KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.740 | n/a | n/a | n/a | n/a | n/a | n/a |
Case Western Reserve University School of Medicine
Curated by ChEMBL
| Assay Description Displacement of [3H]-prazosin from rat alpha1A adrenergic receptor after 60 mins by scintillation counting analysis |
Eur J Med Chem 143: 1261-1276 (2018)
Article DOI: 10.1016/j.ejmech.2017.10.026 BindingDB Entry DOI: 10.7270/Q2D50QG1 |
More data for this Ligand-Target Pair | |