Found 12 hits of Enzyme Inhibition Constant Data 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
(Rattus norvegicus (Rat)) | BDBM50417067
(CHEMBL1258345)Show SMILES COc1ccccc1N1CCN(CC(O)CN2C(=O)NC(=O)C2(c2ccccc2)c2ccccc2)CC1 Show InChI InChI=1S/C29H32N4O4/c1-37-26-15-9-8-14-25(26)32-18-16-31(17-19-32)20-24(34)21-33-28(36)30-27(35)29(33,22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-15,24,34H,16-21H2,1H3,(H,30,35,36) | PDB
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PC sid
UniChem
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PubMed
| 16.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Binding affinity to adrenergic alpha1A receptor in rat brain |
Bioorg Med Chem Lett 20: 6152-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.101
BindingDB Entry DOI: 10.7270/Q2DV1M51 |
More data for this
Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Rattus norvegicus (Rat)) | BDBM50417068
(CHEMBL1258457)Show SMILES CCOc1ccccc1N1CCN(CC(O)CN2C(=O)NC(=O)C2(c2ccccc2)c2ccccc2)CC1 Show InChI InChI=1S/C30H34N4O4/c1-2-38-27-16-10-9-15-26(27)33-19-17-32(18-20-33)21-25(35)22-34-29(37)31-28(36)30(34,23-11-5-3-6-12-23)24-13-7-4-8-14-24/h3-16,25,35H,2,17-22H2,1H3,(H,31,36,37) | PDB
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PC cid
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PubMed
| 67.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Binding affinity to adrenergic alpha1A receptor in rat brain |
Bioorg Med Chem Lett 20: 6152-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.101
BindingDB Entry DOI: 10.7270/Q2DV1M51 |
More data for this
Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Rattus norvegicus (Rat)) | BDBM50417064
(CHEMBL500266)Show SMILES COC(=O)C(C)N1C(=O)N(CC(O)CN2CCN(CC2)c2ccccc2OC)C(C1=O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C33H38N4O6/c1-24(30(39)43-3)37-31(40)33(25-12-6-4-7-13-25,26-14-8-5-9-15-26)36(32(37)41)23-27(38)22-34-18-20-35(21-19-34)28-16-10-11-17-29(28)42-2/h4-17,24,27,38H,18-23H2,1-3H3 | PDB
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PC cid
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PubMed
| 105 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Binding affinity to adrenergic alpha1A receptor in rat brain |
Bioorg Med Chem Lett 20: 6152-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.101
BindingDB Entry DOI: 10.7270/Q2DV1M51 |
More data for this
Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Rattus norvegicus (Rat)) | BDBM50417061
(CHEMBL490865)Show SMILES CCOc1ccccc1N1CCN(CC(O)CN2C(=O)N(C)C(=O)C2(c2ccccc2)c2ccccc2)CC1 Show InChI InChI=1S/C31H36N4O4/c1-3-39-28-17-11-10-16-27(28)34-20-18-33(19-21-34)22-26(36)23-35-30(38)32(2)29(37)31(35,24-12-6-4-7-13-24)25-14-8-5-9-15-25/h4-17,26,36H,3,18-23H2,1-2H3 | PDB
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PubMed
| 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Binding affinity to adrenergic alpha1A receptor in rat brain |
Bioorg Med Chem Lett 20: 6152-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.101
BindingDB Entry DOI: 10.7270/Q2DV1M51 |
More data for this
Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Rattus norvegicus (Rat)) | BDBM50417058
(CHEMBL1256344)Show SMILES CCOC(=O)C(C)N1C(=O)N(CC(O)CN2CCN(CC2)c2ccccc2OC)C(C1=O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C34H40N4O6/c1-4-44-31(40)25(2)38-32(41)34(26-13-7-5-8-14-26,27-15-9-6-10-16-27)37(33(38)42)24-28(39)23-35-19-21-36(22-20-35)29-17-11-12-18-30(29)43-3/h5-18,25,28,39H,4,19-24H2,1-3H3 | PDB
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| Article
PubMed
| 135 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Binding affinity to adrenergic alpha1A receptor in rat brain |
Bioorg Med Chem Lett 20: 6152-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.101
BindingDB Entry DOI: 10.7270/Q2DV1M51 |
More data for this
Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Rattus norvegicus (Rat)) | BDBM50417057
(CHEMBL444648)Show SMILES CCOC(=O)CN1C(=O)N(CC(O)CN2CCN(CC2)c2ccccc2OC)C(C1=O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C33H38N4O6/c1-3-43-30(39)24-36-31(40)33(25-12-6-4-7-13-25,26-14-8-5-9-15-26)37(32(36)41)23-27(38)22-34-18-20-35(21-19-34)28-16-10-11-17-29(28)42-2/h4-17,27,38H,3,18-24H2,1-2H3 | PDB
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PC cid
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| Article
PubMed
| 158 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Binding affinity to adrenergic alpha1A receptor in rat brain |
Bioorg Med Chem Lett 20: 6152-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.101
BindingDB Entry DOI: 10.7270/Q2DV1M51 |
More data for this
Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Rattus norvegicus (Rat)) | BDBM50417060
(CHEMBL484102)Show SMILES COc1ccccc1N1CCN(CC(O)CN2C(=O)N(C)C(=O)C2(c2ccccc2)c2ccccc2)CC1 Show InChI InChI=1S/C30H34N4O4/c1-31-28(36)30(23-11-5-3-6-12-23,24-13-7-4-8-14-24)34(29(31)37)22-25(35)21-32-17-19-33(20-18-32)26-15-9-10-16-27(26)38-2/h3-16,25,35H,17-22H2,1-2H3 | PDB
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PubMed
| 162 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Binding affinity to adrenergic alpha1A receptor in rat brain |
Bioorg Med Chem Lett 20: 6152-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.101
BindingDB Entry DOI: 10.7270/Q2DV1M51 |
More data for this
Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Rattus norvegicus (Rat)) | BDBM50417065
(CHEMBL448198)Show SMILES CCOc1ccccc1N1CCN(CC(O)CN2C(=O)N(C(C)C(=O)OC)C(=O)C2(c2ccccc2)c2ccccc2)CC1 Show InChI InChI=1S/C34H40N4O6/c1-4-44-30-18-12-11-17-29(30)36-21-19-35(20-22-36)23-28(39)24-37-33(42)38(25(2)31(40)43-3)32(41)34(37,26-13-7-5-8-14-26)27-15-9-6-10-16-27/h5-18,25,28,39H,4,19-24H2,1-3H3 | PDB
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PubMed
| 166 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Binding affinity to adrenergic alpha1A receptor in rat brain |
Bioorg Med Chem Lett 20: 6152-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.101
BindingDB Entry DOI: 10.7270/Q2DV1M51 |
More data for this
Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Rattus norvegicus (Rat)) | BDBM50417063
(CHEMBL503007)Show SMILES COC(=O)CN1C(=O)N(CC(O)CN2CCN(CC2)c2ccccc2OC)C(C1=O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C32H36N4O6/c1-41-28-16-10-9-15-27(28)34-19-17-33(18-20-34)21-26(37)22-36-31(40)35(23-29(38)42-2)30(39)32(36,24-11-5-3-6-12-24)25-13-7-4-8-14-25/h3-16,26,37H,17-23H2,1-2H3 | PDB
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UniChem
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| Article
PubMed
| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Binding affinity to adrenergic alpha1A receptor in rat brain |
Bioorg Med Chem Lett 20: 6152-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.101
BindingDB Entry DOI: 10.7270/Q2DV1M51 |
More data for this
Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Rattus norvegicus (Rat)) | BDBM50417062
(CHEMBL1258228)Show SMILES COC(=O)CN1C(=O)N(CC(O)CN2CCN(CC2)c2ccccc2)C(C1=O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C31H34N4O5/c1-40-28(37)23-34-29(38)31(24-11-5-2-6-12-24,25-13-7-3-8-14-25)35(30(34)39)22-27(36)21-32-17-19-33(20-18-32)26-15-9-4-10-16-26/h2-16,27,36H,17-23H2,1H3 | PDB
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| Article
PubMed
| 417 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Binding affinity to adrenergic alpha1A receptor in rat brain |
Bioorg Med Chem Lett 20: 6152-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.101
BindingDB Entry DOI: 10.7270/Q2DV1M51 |
More data for this
Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Rattus norvegicus (Rat)) | BDBM50417059
(CHEMBL1257883)Show SMILES CN1C(=O)N(CC(O)CN2CCN(CC2)c2ccccc2F)C(C1=O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C29H31FN4O3/c1-31-27(36)29(22-10-4-2-5-11-22,23-12-6-3-7-13-23)34(28(31)37)21-24(35)20-32-16-18-33(19-17-32)26-15-9-8-14-25(26)30/h2-15,24,35H,16-21H2,1H3 | PDB
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PubMed
| 562 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Binding affinity to adrenergic alpha1A receptor in rat brain |
Bioorg Med Chem Lett 20: 6152-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.101
BindingDB Entry DOI: 10.7270/Q2DV1M51 |
More data for this
Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Rattus norvegicus (Rat)) | BDBM50417066
(CHEMBL1258344)Show SMILES OC(CN1C(=O)NC(=O)C1(c1ccccc1)c1ccccc1)CN1CCN(CC1)c1ccccc1 Show InChI InChI=1S/C28H30N4O3/c33-25(20-30-16-18-31(19-17-30)24-14-8-3-9-15-24)21-32-27(35)29-26(34)28(32,22-10-4-1-5-11-22)23-12-6-2-7-13-23/h1-15,25,33H,16-21H2,(H,29,34,35) | PDB
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PubMed
| 741 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Binding affinity to adrenergic alpha1A receptor in rat brain |
Bioorg Med Chem Lett 20: 6152-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.101
BindingDB Entry DOI: 10.7270/Q2DV1M51 |
More data for this
Ligand-Target Pair | |
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