Found 285 hits with Last Name = 'rozas' and Initial = 'i' 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)) | BDBM81444
(CAS_185453 | NSC_185453 | WB 4101 | WB-4101)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 | PDB
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| PC cid
PC sid
UniChem
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| Article
PubMed
| 0.160 | 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)) | BDBM29568
(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) | PDB
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| DrugBank
Article
PubMed
| 0.200 | 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)) | BDBM81444
(CAS_185453 | NSC_185453 | WB 4101 | WB-4101)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 | PDB
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| PC cid
PC sid
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| 0.25 | 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-1B adrenergic receptor
(Mus musculus) | BDBM29568
(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) | UniProtKB/TrEMBL
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| 0.25 | 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)) | BDBM29568
(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) | PDB
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| DrugBank
Article
PubMed
| 0.320 | 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)) | BDBM50160165
(CHEMBL88272 | RS-17053 | [2-(2-Cyclopropylmethoxy-...)Show SMILES CC(C)(Cc1c[nH]c2ccc(Cl)cc12)NCCOc1ccccc1OCC1CC1 Show InChI InChI=1S/C24H29ClN2O2/c1-24(2,14-18-15-26-21-10-9-19(25)13-20(18)21)27-11-12-28-22-5-3-4-6-23(22)29-16-17-7-8-17/h3-6,9-10,13,15,17,26-27H,7-8,11-12,14,16H2,1-2H3 | PDB
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| 0.600 | 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)) | BDBM50033112
(6-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propyla...)Show SMILES COc1ccccc1N1CCN(CCCNc2c(C)c(=O)n(C)c(=O)n2C)CC1 Show InChI InChI=1S/C21H31N5O3/c1-16-19(23(2)21(28)24(3)20(16)27)22-10-7-11-25-12-14-26(15-13-25)17-8-5-6-9-18(17)29-4/h5-6,8-9,22H,7,10-15H2,1-4H3 | PDB
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| 0.630 | 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-2A/Alpha-2B/Alpha-2C adrenergic receptor
(Homo sapiens (Human)) | BDBM50562355
(CHEMBL4755913)Show SMILES Cl.Cl.CCCNC(=N)Nc1ccc(Cc2ccc(NC3=NCCN3)cc2)cc1 |t:17| | PDB
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| 0.820 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-RX821002 from adrenergic alpha 2 receptor in human brain membrane by liquid scintillation spectroscopy |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112947
BindingDB Entry DOI: 10.7270/Q2F47SVD |
More data for this
Ligand-Target Pair | |
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor
(Homo sapiens (Human)) | BDBM50019492
((+)2-(2-Methoxy-2,3-dihydro-benzo[1,4]dioxin-2-yl)...)Show InChI InChI=1S/C12H14N2O3/c1-15-12(11-13-6-7-14-11)8-16-9-4-2-3-5-10(9)17-12/h2-5H,6-8H2,1H3,(H,13,14) | PDB
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| 0.912 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Dublin
Curated by ChEMBL
| Assay Description
Displacement of [3H]RX821002 from adrenergic alpha2 receptor in human brain frontal cortex |
J Med Chem 50: 4516-27 (2007)
Article DOI: 10.1021/jm070229q
BindingDB Entry DOI: 10.7270/Q2571FSN |
More data for this
Ligand-Target Pair | |
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor
(Homo sapiens (Human)) | BDBM50019492
((+)2-(2-Methoxy-2,3-dihydro-benzo[1,4]dioxin-2-yl)...)Show InChI InChI=1S/C12H14N2O3/c1-15-12(11-13-6-7-14-11)8-16-9-4-2-3-5-10(9)17-12/h2-5H,6-8H2,1H3,(H,13,14) | PDB
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| 0.912 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Dublin
Curated by ChEMBL
| Assay Description
Displacement of [3H]RX821002 from alpha2 adrenoceptor in human prefrontal cortex neural membrane after 30 mins by liquid scintillation spectrometry |
J Med Chem 52: 601-9 (2009)
Article DOI: 10.1021/jm800838r
BindingDB Entry DOI: 10.7270/Q26M39MM |
More data for this
Ligand-Target Pair | |
Alpha-1B adrenergic receptor
(Mus musculus) | 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) | UniProtKB/TrEMBL
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| 1 | 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)) | BDBM50160152
(3-(3-{3-[4-Fluoro-2-(2,2,2-trifluoro-ethoxy)-pheny...)Show SMILES Cc1c[nH]c(=O)n(CCCN2CCN(CC2)c2ccc(F)cc2OCC(F)(F)F)c1=O Show InChI InChI=1S/C20H24F4N4O3/c1-14-12-25-19(30)28(18(14)29)6-2-5-26-7-9-27(10-8-26)16-4-3-15(21)11-17(16)31-13-20(22,23)24/h3-4,11-12H,2,5-10,13H2,1H3,(H,25,30) | PDB
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| 1 | 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-2A/Alpha-2B/Alpha-2C adrenergic receptor
(Homo sapiens (Human)) | BDBM34572
(BRIMONIDINE | CHEMBL844 | MLS000069370 | SMR000058...)Show InChI InChI=1S/C11H10BrN5/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8/h1-4H,5-6H2,(H2,15,16,17) | PDB
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| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Dublin
Curated by ChEMBL
| Assay Description
Binding affinity to alpha2 adrenoceptor in human cortical membrane |
J Med Chem 52: 601-9 (2009)
Article DOI: 10.1021/jm800838r
BindingDB Entry DOI: 10.7270/Q26M39MM |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor
(Homo sapiens (Human)) | BDBM50019492
((+)2-(2-Methoxy-2,3-dihydro-benzo[1,4]dioxin-2-yl)...)Show InChI InChI=1S/C12H14N2O3/c1-15-12(11-13-6-7-14-11)8-16-9-4-2-3-5-10(9)17-12/h2-5H,6-8H2,1H3,(H,13,14) | PDB
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| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Displacement of [3H]RX821002 from alpha-2 adrenergic receptor in human brain pre-frontal cortex neural membranes after 30 mins by liquid scintillatio... |
Eur J Med Chem 123: 48-57 (2016)
Article DOI: 10.1016/j.ejmech.2016.07.011
BindingDB Entry DOI: 10.7270/Q2833W2X |
More data for this
Ligand-Target Pair | |
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor
(Homo sapiens (Human)) | BDBM50476638
(CHEMBL75389)Show SMILES C(c1ccc(NC2=NCCN2)cc1)c1ccc(NC2=NCCN2)cc1 |t:6,20| Show InChI InChI=1S/C19H22N6/c1-5-16(24-18-20-9-10-21-18)6-2-14(1)13-15-3-7-17(8-4-15)25-19-22-11-12-23-19/h1-8H,9-13H2,(H2,20,21,24)(H2,22,23,25) | PDB
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| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Dublin
Curated by ChEMBL
| Assay Description
Displacement of [3H]RX821002 from adrenergic alpha2 receptor in human brain frontal cortex |
J Med Chem 50: 4516-27 (2007)
Article DOI: 10.1021/jm070229q
BindingDB Entry DOI: 10.7270/Q2571FSN |
More data for this
Ligand-Target Pair | |
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor
(Homo sapiens (Human)) | BDBM50476638
(CHEMBL75389)Show SMILES C(c1ccc(NC2=NCCN2)cc1)c1ccc(NC2=NCCN2)cc1 |t:6,20| Show InChI InChI=1S/C19H22N6/c1-5-16(24-18-20-9-10-21-18)6-2-14(1)13-15-3-7-17(8-4-15)25-19-22-11-12-23-19/h1-8H,9-13H2,(H2,20,21,24)(H2,22,23,25) | PDB
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| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-RX821002 from adrenergic alpha 2 receptor in human brain membrane by liquid scintillation spectroscopy |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112947
BindingDB Entry DOI: 10.7270/Q2F47SVD |
More data for this
Ligand-Target Pair | |
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor
(Homo sapiens (Human)) | BDBM50562354
(CHEMBL4763113)Show SMILES Cl.Cl.N=C(NCc1ccco1)Nc1ccc(Cc2ccc(NC3=NCCN3)cc2)cc1 |t:21| | PDB
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| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-RX821002 from adrenergic alpha 2 receptor in human brain membrane by liquid scintillation spectroscopy |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112947
BindingDB Entry DOI: 10.7270/Q2F47SVD |
More data for this
Ligand-Target Pair | |
Alpha-2A adrenergic receptor
(Homo sapiens (Human)) | BDBM50019492
((+)2-(2-Methoxy-2,3-dihydro-benzo[1,4]dioxin-2-yl)...)Show InChI InChI=1S/C12H14N2O3/c1-15-12(11-13-6-7-14-11)8-16-9-4-2-3-5-10(9)17-12/h2-5H,6-8H2,1H3,(H,13,14) | PDB
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| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Displacement of [3H]RX821002 from alpha2-adrenergic receptor in prefrontal cortex of human brain after 30 mins by liquid scintillation spectrometric ... |
Eur J Med Chem 82: 242-54 (2014)
Article DOI: 10.1016/j.ejmech.2014.05.057
BindingDB Entry DOI: 10.7270/Q25M6784 |
More data for this
Ligand-Target Pair | |
Alpha-1B adrenergic receptor
(Mus musculus) | BDBM50033111
(1-(4-Amino-6,7-dimethoxy-2-quinazolinyl)-4-((tetra...)Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 Show InChI InChI=1S/C19H25N5O4/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/h10-11,14H,3-9H2,1-2H3,(H2,20,21,22) | UniProtKB/TrEMBL
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| 2 | 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)) | BDBM50033111
(1-(4-Amino-6,7-dimethoxy-2-quinazolinyl)-4-((tetra...)Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 Show InChI InChI=1S/C19H25N5O4/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/h10-11,14H,3-9H2,1-2H3,(H2,20,21,22) | PDB
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| 2.5 | 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-1B adrenergic receptor
(Mus musculus) | BDBM81444
(CAS_185453 | NSC_185453 | WB 4101 | WB-4101)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 | UniProtKB/TrEMBL
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| 2.5 | 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
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| 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)) | BDBM50033110
(ALFUZOSIN | CHEMBL709 | N-{3-[(4-amino-6,7-dimetho...)Show SMILES COc1cc2nc(nc(N)c2cc1OC)N(C)CCCNC(=O)C1CCCO1 Show InChI InChI=1S/C19H27N5O4/c1-24(8-5-7-21-18(25)14-6-4-9-28-14)19-22-13-11-16(27-3)15(26-2)10-12(13)17(20)23-19/h10-11,14H,4-9H2,1-3H3,(H,21,25)(H2,20,22,23) | PDB
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| 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
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| 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
(Homo sapiens (Human)) | BDBM50033111
(1-(4-Amino-6,7-dimethoxy-2-quinazolinyl)-4-((tetra...)Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 Show InChI InChI=1S/C19H25N5O4/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/h10-11,14H,3-9H2,1-2H3,(H2,20,21,22) | PDB
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| 6.30 | 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-1B adrenergic receptor
(Mus musculus) | BDBM50033110
(ALFUZOSIN | CHEMBL709 | N-{3-[(4-amino-6,7-dimetho...)Show SMILES COc1cc2nc(nc(N)c2cc1OC)N(C)CCCNC(=O)C1CCCO1 Show InChI InChI=1S/C19H27N5O4/c1-24(8-5-7-21-18(25)14-6-4-9-28-14)19-22-13-11-16(27-3)15(26-2)10-12(13)17(20)23-19/h10-11,14H,4-9H2,1-3H3,(H,21,25)(H2,20,22,23) | UniProtKB/TrEMBL
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| 10 | 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)) | BDBM50033112
(6-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propyla...)Show SMILES COc1ccccc1N1CCN(CCCNc2c(C)c(=O)n(C)c(=O)n2C)CC1 Show InChI InChI=1S/C21H31N5O3/c1-16-19(23(2)21(28)24(3)20(16)27)22-10-7-11-25-12-14-26(15-13-25)17-8-5-6-9-18(17)29-4/h5-6,8-9,22H,7,10-15H2,1-4H3 | PDB
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| 10 | 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-2A/Alpha-2B/Alpha-2C adrenergic receptor
(Homo sapiens (Human)) | BDBM50562353
(CHEMBL3216452)Show SMILES Cl.Cl.[#7]-[#6](=[#7])-[#7]-c1ccc(-[#6]-c2ccc(cc2)\[#7]=[#6]-2\[#7]-[#6]-[#6]-[#7]-2)cc1 | PDB
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| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-RX821002 from adrenergic alpha 2 receptor in human brain membrane by liquid scintillation spectroscopy |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112947
BindingDB Entry DOI: 10.7270/Q2F47SVD |
More data for this
Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Homo sapiens (Human)) | BDBM50160165
(CHEMBL88272 | RS-17053 | [2-(2-Cyclopropylmethoxy-...)Show SMILES CC(C)(Cc1c[nH]c2ccc(Cl)cc12)NCCOc1ccccc1OCC1CC1 Show InChI InChI=1S/C24H29ClN2O2/c1-24(2,14-18-15-26-21-10-9-19(25)13-20(18)21)27-11-12-28-22-5-3-4-6-23(22)29-16-17-7-8-17/h3-6,9-10,13,15,17,26-27H,7-8,11-12,14,16H2,1-2H3 | PDB
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| 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-1B adrenergic receptor
(Mus musculus) | BDBM50160165
(CHEMBL88272 | RS-17053 | [2-(2-Cyclopropylmethoxy-...)Show SMILES CC(C)(Cc1c[nH]c2ccc(Cl)cc12)NCCOc1ccccc1OCC1CC1 Show InChI InChI=1S/C24H29ClN2O2/c1-24(2,14-18-15-26-21-10-9-19(25)13-20(18)21)27-11-12-28-22-5-3-4-6-23(22)29-16-17-7-8-17/h3-6,9-10,13,15,17,26-27H,7-8,11-12,14,16H2,1-2H3 | UniProtKB/TrEMBL
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| 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-2A/Alpha-2B/Alpha-2C adrenergic receptor
(Homo sapiens (Human)) | BDBM50476634
(4,4''-Di(2-Imidazolidinylimino)Diphenyl Sulfide | ...)Show SMILES C1CN=C(Nc2ccc(Sc3ccc(NC4=NCCN4)cc3)cc2)N1 |t:2,15| Show InChI InChI=1S/C18H20N6S/c1-5-15(6-2-13(1)23-17-19-9-10-20-17)25-16-7-3-14(4-8-16)24-18-21-11-12-22-18/h1-8H,9-12H2,(H2,19,20,23)(H2,21,22,24) | PDB
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| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Dublin
Curated by ChEMBL
| Assay Description
Displacement of [3H]RX821002 from adrenergic alpha2 receptor in human brain frontal cortex |
J Med Chem 50: 4516-27 (2007)
Article DOI: 10.1021/jm070229q
BindingDB Entry DOI: 10.7270/Q2571FSN |
More data for this
Ligand-Target Pair | |
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor
(Homo sapiens (Human)) | BDBM50225285
(CHEBI:3757 | Catapres | Catapres-Tts-1 | Catapres-...)Show InChI InChI=1S/C9H9Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-3H,4-5H2,(H2,12,13,14) | PDB
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| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Dublin
Curated by ChEMBL
| Assay Description
Displacement of [3H]RX821002 from alpha2 adrenoceptor in human prefrontal cortex neural membrane after 30 mins by liquid scintillation spectrometry |
J Med Chem 52: 601-9 (2009)
Article DOI: 10.1021/jm800838r
BindingDB Entry DOI: 10.7270/Q26M39MM |
More data for this
Ligand-Target Pair | |
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor
(Homo sapiens (Human)) | BDBM50225285
(CHEBI:3757 | Catapres | Catapres-Tts-1 | Catapres-...)Show InChI InChI=1S/C9H9Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-3H,4-5H2,(H2,12,13,14) | PDB
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| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Dublin
Curated by ChEMBL
| Assay Description
Displacement of [3H]RX821002 from adrenergic alpha2 receptor in human brain frontal cortex |
J Med Chem 50: 4516-27 (2007)
Article DOI: 10.1021/jm070229q
BindingDB Entry DOI: 10.7270/Q2571FSN |
More data for this
Ligand-Target Pair | |
Alpha-2A adrenergic receptor
(Homo sapiens (Human)) | BDBM50020341
(CLONIDINE HYDROCHLORIDE | Catapres | Clonidine HCl...)Show InChI InChI=1S/C9H9Cl2N3.ClH/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9;/h1-3H,4-5H2,(H2,12,13,14);1H | PDB
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| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Displacement of [3H]RX821002 from alpha2-adrenergic receptor in prefrontal cortex of human brain after 30 mins by liquid scintillation spectrometric ... |
Eur J Med Chem 82: 242-54 (2014)
Article DOI: 10.1016/j.ejmech.2014.05.057
BindingDB Entry DOI: 10.7270/Q25M6784 |
More data for this
Ligand-Target Pair | |
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor
(Homo sapiens (Human)) | BDBM50270852
(CHEMBL4125770)Show InChI InChI=1S/C9H13N3S/c10-9(11)12-8-5-6-3-1-2-4-7(6)13-8/h5H,1-4H2,(H4,10,11,12) | PDB
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| 31 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Displacement of [3H]RX821002 from alpha2 adrenergic receptor in human brain prefrontal cortex membranes after 30 mins by microbeta liquid scintillati... |
Eur J Med Chem 138: 38-50 (2017)
Article DOI: 10.1016/j.ejmech.2017.06.008
BindingDB Entry DOI: 10.7270/Q2BV7K3C |
More data for this
Ligand-Target Pair | |
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor
(Homo sapiens (Human)) | BDBM50562356
(CHEMBL4798553)Show SMILES Cl.Cl.N=C(NCc1ccco1)Nc1ccc(Cc2ccc(NC3=NCCN3)cc2)cn1 |t:21| | PDB
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| 34 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-RX821002 from adrenergic alpha 2 receptor in human brain membrane by liquid scintillation spectroscopy |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112947
BindingDB Entry DOI: 10.7270/Q2F47SVD |
More data for this
Ligand-Target Pair | |
Alpha-1B adrenergic receptor
(Mus musculus) | BDBM50033112
(6-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propyla...)Show SMILES COc1ccccc1N1CCN(CCCNc2c(C)c(=O)n(C)c(=O)n2C)CC1 Show InChI InChI=1S/C21H31N5O3/c1-16-19(23(2)21(28)24(3)20(16)27)22-10-7-11-25-12-14-26(15-13-25)17-8-5-6-9-18(17)29-4/h5-6,8-9,22H,7,10-15H2,1-4H3 | UniProtKB/TrEMBL
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| 40 | 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-2A/Alpha-2B/Alpha-2C adrenergic receptor
(Homo sapiens (Human)) | BDBM50479675
(CHEMBL473567)Show InChI InChI=1S/C12H18N4/c1-3-16(2)11-6-4-10(5-7-11)15-12-13-8-9-14-12/h4-7H,3,8-9H2,1-2H3,(H2,13,14,15) | PDB
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| 42 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Dublin
Curated by ChEMBL
| Assay Description
Displacement of [3H]RX821002 from alpha2 adrenoceptor in human prefrontal cortex neural membrane after 30 mins by liquid scintillation spectrometry |
J Med Chem 52: 601-9 (2009)
Article DOI: 10.1021/jm800838r
BindingDB Entry DOI: 10.7270/Q26M39MM |
More data for this
Ligand-Target Pair | |
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor
(Homo sapiens (Human)) | BDBM50562362
(CHEMBL444295) | PDB
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| 47 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-RX821002 from adrenergic alpha 2 receptor in human brain membrane by liquid scintillation spectroscopy |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112947
BindingDB Entry DOI: 10.7270/Q2F47SVD |
More data for this
Ligand-Target Pair | |
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor
(Homo sapiens (Human)) | BDBM50019848
(2-(2,3-dihydro-1,4-benzodioxin-2-yl)-4,5-dihydro-1...)Show InChI InChI=1S/C11H12N2O2/c1-2-4-9-8(3-1)14-7-10(15-9)11-12-5-6-13-11/h1-4,10H,5-7H2,(H,12,13) | PDB
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| 51 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Dublin
Curated by ChEMBL
| Assay Description
Displacement of [3H]RX821002 from adrenergic alpha2 receptor in human brain frontal cortex |
J Med Chem 50: 4516-27 (2007)
Article DOI: 10.1021/jm070229q
BindingDB Entry DOI: 10.7270/Q2571FSN |
More data for this
Ligand-Target Pair | |
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor
(Homo sapiens (Human)) | BDBM50019848
(2-(2,3-dihydro-1,4-benzodioxin-2-yl)-4,5-dihydro-1...)Show InChI InChI=1S/C11H12N2O2/c1-2-4-9-8(3-1)14-7-10(15-9)11-12-5-6-13-11/h1-4,10H,5-7H2,(H,12,13) | PDB
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| 51 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Dublin
Curated by ChEMBL
| Assay Description
Displacement of [3H]RX821002 from alpha2 adrenoceptor in human prefrontal cortex neural membrane after 30 mins by liquid scintillation spectrometry |
J Med Chem 52: 601-9 (2009)
Article DOI: 10.1021/jm800838r
BindingDB Entry DOI: 10.7270/Q26M39MM |
More data for this
Ligand-Target Pair | |
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor
(Homo sapiens (Human)) | BDBM50479673
(CHEMBL467525)Show InChI InChI=1S/C10H14N4/c1-11-8-2-4-9(5-3-8)14-10-12-6-7-13-10/h2-5,11H,6-7H2,1H3,(H2,12,13,14) | PDB
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| 54 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Dublin
Curated by ChEMBL
| Assay Description
Displacement of [3H]RX821002 from alpha2 adrenoceptor in human prefrontal cortex neural membrane after 30 mins by liquid scintillation spectrometry |
J Med Chem 52: 601-9 (2009)
Article DOI: 10.1021/jm800838r
BindingDB Entry DOI: 10.7270/Q26M39MM |
More data for this
Ligand-Target Pair | |
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor
(Homo sapiens (Human)) | BDBM50476630
(CHEMBL242102)Show SMILES C1CN=C(Nc2ccc(Nc3ccc(NC4=NCCN4)cc3)cc2)N1 |t:2,15| Show InChI InChI=1S/C18H21N7/c1-5-15(24-17-19-9-10-20-17)6-2-13(1)23-14-3-7-16(8-4-14)25-18-21-11-12-22-18/h1-8,23H,9-12H2,(H2,19,20,24)(H2,21,22,25) | PDB
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PubMed
| 58 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Dublin
Curated by ChEMBL
| Assay Description
Displacement of [3H]RX821002 from adrenergic alpha2 receptor in human brain frontal cortex |
J Med Chem 50: 4516-27 (2007)
Article DOI: 10.1021/jm070229q
BindingDB Entry DOI: 10.7270/Q2571FSN |
More data for this
Ligand-Target Pair | |
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor
(Homo sapiens (Human)) | BDBM50562360
(CHEMBL4745647)Show SMILES Cl.Cl.CCCNC(=N)Nc1ccc(Cc2ccc(NC3=NCCN3)cc2)cn1 |t:17| | PDB
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| PC cid
PC sid
UniChem
| Article
PubMed
| 68 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-RX821002 from adrenergic alpha 2 receptor in human brain membrane by liquid scintillation spectroscopy |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112947
BindingDB Entry DOI: 10.7270/Q2F47SVD |
More data for this
Ligand-Target Pair | |
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor
(Homo sapiens (Human)) | BDBM50070099
(CHEMBL3408019)Show InChI InChI=1S/C10H15N5/c1-2-11-9-4-3-8(7-14-9)15-10-12-5-6-13-10/h3-4,7H,2,5-6H2,1H3,(H,11,14)(H2,12,13,15) | PDB
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 74 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Displacement of [3H]-RX-821002 from human alpha-2 adrenergic receptor in brain prefrontal cortex membrane by liquid scintillation spectrometry |
J Med Chem 58: 963-77 (2015)
Article DOI: 10.1021/jm501635e
BindingDB Entry DOI: 10.7270/Q280549P |
More data for this
Ligand-Target Pair | |
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor
(Homo sapiens (Human)) | BDBM50479674
(CHEMBL482359)Show InChI InChI=1S/C10H16N4/c1-3-14(2)9-6-4-8(5-7-9)13-10(11)12/h4-7H,3H2,1-2H3,(H4,11,12,13) | PDB
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| PC cid
PC sid
UniChem
| Article
PubMed
| 76 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Dublin
Curated by ChEMBL
| Assay Description
Displacement of [3H]RX821002 from alpha2 adrenoceptor in human prefrontal cortex neural membrane after 30 mins by liquid scintillation spectrometry |
J Med Chem 52: 601-9 (2009)
Article DOI: 10.1021/jm800838r
BindingDB Entry DOI: 10.7270/Q26M39MM |
More data for this
Ligand-Target Pair | |
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor
(Homo sapiens (Human)) | BDBM50562361
(CHEMBL451179) | PDB
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UniChem
| Article
PubMed
| 78 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-RX821002 from adrenergic alpha 2 receptor in human brain membrane by liquid scintillation spectroscopy |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112947
BindingDB Entry DOI: 10.7270/Q2F47SVD |
More data for this
Ligand-Target Pair | |
Alpha-2A adrenergic receptor
(Homo sapiens (Human)) | BDBM50020363
(CHEMBL3289551)Show SMILES Cl.[#6]-[#6]-[#8]-c1ccc(cc1)\[#7]=[#6]-1/[#7]-[#6]-[#6]-[#7]-1 Show InChI InChI=1S/C11H15N3O.ClH/c1-2-15-10-5-3-9(4-6-10)14-11-12-7-8-13-11;/h3-6H,2,7-8H2,1H3,(H2,12,13,14);1H | PDB
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UniChem
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| Article
PubMed
| 79 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Displacement of [3H]RX821002 from alpha2-adrenergic receptor in prefrontal cortex of human brain after 30 mins by liquid scintillation spectrometric ... |
Eur J Med Chem 82: 242-54 (2014)
Article DOI: 10.1016/j.ejmech.2014.05.057
BindingDB Entry DOI: 10.7270/Q25M6784 |
More data for this
Ligand-Target Pair | |
Alpha-1B adrenergic receptor
(Mus musculus) | BDBM50160152
(3-(3-{3-[4-Fluoro-2-(2,2,2-trifluoro-ethoxy)-pheny...)Show SMILES Cc1c[nH]c(=O)n(CCCN2CCN(CC2)c2ccc(F)cc2OCC(F)(F)F)c1=O Show InChI InChI=1S/C20H24F4N4O3/c1-14-12-25-19(30)28(18(14)29)6-2-5-26-7-9-27(10-8-26)16-4-3-15(21)11-17(16)31-13-20(22,23)24/h3-4,11-12H,2,5-10,13H2,1H3,(H,25,30) | UniProtKB/TrEMBL
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UniChem
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| Article
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| 79 | 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-2A/Alpha-2B/Alpha-2C adrenergic receptor
(Homo sapiens (Human)) | BDBM50562359
(CHEMBL4799288)Show SMILES Cl.Cl.NC(=N)Nc1ccc(Cc2ccc(NC3=NCCN3)cc2)cn1 |t:14| | PDB
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UniChem
| Article
PubMed
| 87 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [3H]-RX821002 from adrenergic alpha 2 receptor in human brain membrane by liquid scintillation spectroscopy |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112947
BindingDB Entry DOI: 10.7270/Q2F47SVD |
More data for this
Ligand-Target Pair | |
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