Found 23 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
(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
Reactome pathway
KEGG
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GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
Patents
Similars
| 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
Reactome pathway
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PC cid
PC sid
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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
Reactome pathway
KEGG
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DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 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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PubMed
| 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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PubMed
| 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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| Article
PubMed
| 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-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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PubMed
| 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-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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| DrugBank
Article
PubMed
| 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
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
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| Article
PubMed
| 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)) | 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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| 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
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| 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
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| DrugBank
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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
(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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PubMed
| 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-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-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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PubMed
| 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-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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| 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-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
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
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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 | |
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