Found 77 hits with Last Name = 'kinsella' and Initial = 'gk' 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 |
|---|
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50113782
((10R,13S,17S)-17-hydroxy-13-methyl-10-(4-methylben...)Show SMILES CC#C[C@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(Cc4ccc(C)cc4)C3=CC[C@]12C |c:29,t:11| Show InChI InChI=1S/C29H34O2/c1-4-14-29(31)17-13-25-24-10-9-22-18-23(30)11-16-28(22,26(24)12-15-27(25,29)3)19-21-7-5-20(2)6-8-21/h5-8,12,18,24-25,31H,9-11,13,15-17,19H2,1-3H3/t24?,25?,27-,28+,29-/m0/s1 | PDB
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| 0.100 | 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]DEX from human glucocorticoid receptor |
J Med Chem 53: 3065-74 (2010)
Article DOI: 10.1021/jm901452y
BindingDB Entry DOI: 10.7270/Q2VQ33NH |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50113783
((2R,4aS,10aR)-4a-benzyl-2-(chloroethynyl)-1,2,3,4,...)Show SMILES Oc1ccc2c(CC[C@@H]3C[C@](O)(CC[C@@]23Cc2ccccc2)C#CCl)c1 Show InChI InChI=1S/C23H23ClO2/c24-13-12-22(26)10-11-23(15-17-4-2-1-3-5-17)19(16-22)7-6-18-14-20(25)8-9-21(18)23/h1-5,8-9,14,19,25-26H,6-7,10-11,15-16H2/t19-,22+,23+/m1/s1 | PDB
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PC sid
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| Article
PubMed
| 0.100 | 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]DEX from human glucocorticoid receptor |
J Med Chem 53: 3065-74 (2010)
Article DOI: 10.1021/jm901452y
BindingDB Entry DOI: 10.7270/Q2VQ33NH |
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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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 | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50113780
((2R,4aS,10aR)-4a-benzyl-2-(prop-1-ynyl)-1,2,3,4,4a...)Show SMILES CC#C[C@@]1(O)CC[C@]2(Cc3ccccc3)[C@H](CCc3cc(O)ccc23)C1 Show InChI InChI=1S/C24H26O2/c1-2-12-23(26)13-14-24(16-18-6-4-3-5-7-18)20(17-23)9-8-19-15-21(25)10-11-22(19)24/h3-7,10-11,15,20,25-26H,8-9,13-14,16-17H2,1H3/t20-,23-,24+/m1/s1 | PDB
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| 0.170 | 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]DEX from human glucocorticoid receptor |
J Med Chem 53: 3065-74 (2010)
Article DOI: 10.1021/jm901452y
BindingDB Entry DOI: 10.7270/Q2VQ33NH |
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 | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM18627
((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...)Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20| Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1 | PDB
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Article
PubMed
| 0.240 | 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]DEX from human glucocorticoid receptor |
J Med Chem 53: 3065-74 (2010)
Article DOI: 10.1021/jm901452y
BindingDB Entry DOI: 10.7270/Q2VQ33NH |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
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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| 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-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-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 | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM18207
((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...)Show SMILES [H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |c:28,t:24| Show InChI InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1 | PDB
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| 1.10 | 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]DEX from human glucocorticoid receptor |
J Med Chem 53: 3065-74 (2010)
Article DOI: 10.1021/jm901452y
BindingDB Entry DOI: 10.7270/Q2VQ33NH |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
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 | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50315763
((4bS,7R,8aR)-4b-benzyl-7-hydroxy-7-(prop-1-ynyl)-N...)Show SMILES CC#C[C@@]1(O)CC[C@]2(Cc3ccccc3)[C@H](CCc3cc(ccc23)C(=O)NCc2ccncc2)C1 |r| Show InChI InChI=1S/C31H32N2O2/c1-2-14-30(35)15-16-31(20-23-6-4-3-5-7-23)27(21-30)10-8-25-19-26(9-11-28(25)31)29(34)33-22-24-12-17-32-18-13-24/h3-7,9,11-13,17-19,27,35H,8,10,15-16,20-22H2,1H3,(H,33,34)/t27-,30-,31+/m1/s1 | PDB
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| 2 | 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]DEX from human glucocorticoid receptor |
J Med Chem 53: 3065-74 (2010)
Article DOI: 10.1021/jm901452y
BindingDB Entry DOI: 10.7270/Q2VQ33NH |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM19190
((1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-...)Show SMILES [H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |r,c:27,t:23| Show InChI InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1 | PDB
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PubMed
| 2.40 | 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]DEX from human glucocorticoid receptor |
J Med Chem 53: 3065-74 (2010)
Article DOI: 10.1021/jm901452y
BindingDB Entry DOI: 10.7270/Q2VQ33NH |
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
| 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 | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50124614
(5-Allyl-10-methoxy-2,2,4-trimethyl-2,5-dihydro-1H-...)Show SMILES COC(=O)c1ccc2OC(CC=C)c3c(ccc4NC(C)(C)C=C(C)c34)-c2c1OC |t:22| Show InChI InChI=1S/C25H27NO4/c1-7-8-18-21-15(9-11-17-20(21)14(2)13-25(3,4)26-17)22-19(30-18)12-10-16(23(22)28-5)24(27)29-6/h7,9-13,18,26H,1,8H2,2-6H3 | PDB
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| 2.80 | 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]DEX from human glucocorticoid receptor |
J Med Chem 53: 3065-74 (2010)
Article DOI: 10.1021/jm901452y
BindingDB Entry DOI: 10.7270/Q2VQ33NH |
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 | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50315767
((S)-5-allyl-9-(ethynyloxy)-10-methoxy-2,2,4-trimet...)Show SMILES COc1c(OC#C)ccc2O[C@@H](CC=C)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |r,t:24| Show InChI InChI=1S/C25H25NO3/c1-7-9-18-22-16(10-11-17-21(22)15(3)14-25(4,5)26-17)23-19(29-18)12-13-20(28-8-2)24(23)27-6/h2,7,10-14,18,26H,1,9H2,3-6H3/t18-/m0/s1 | PDB
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| 4.20 | 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]DEX from human glucocorticoid receptor |
J Med Chem 53: 3065-74 (2010)
Article DOI: 10.1021/jm901452y
BindingDB Entry DOI: 10.7270/Q2VQ33NH |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50113777
((4aS,10aR)-4a-benzyl-7-hydroxy-3,4,4a,9,10,10a-hex...)Show SMILES Oc1ccc2c(CC[C@@H]3CC(=O)CC[C@@]23Cc2ccccc2)c1 Show InChI InChI=1S/C21H22O2/c22-18-8-9-20-16(12-18)6-7-17-13-19(23)10-11-21(17,20)14-15-4-2-1-3-5-15/h1-5,8-9,12,17,22H,6-7,10-11,13-14H2/t17-,21+/m1/s1 | PDB
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| 6 | 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]DEX from human glucocorticoid receptor |
J Med Chem 53: 3065-74 (2010)
Article DOI: 10.1021/jm901452y
BindingDB Entry DOI: 10.7270/Q2VQ33NH |
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 | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50315765
((S)-5-allyl-10-ethynyl-2,2,4-trimethyl-2,5-dihydro...)Show SMILES CC1=CC(C)(C)Nc2ccc-3c([C@H](CC=C)Oc4cccc(C#C)c-34)c12 |r,t:1| Show InChI InChI=1S/C24H23NO/c1-6-9-19-23-17(22-16(7-2)10-8-11-20(22)26-19)12-13-18-21(23)15(3)14-24(4,5)25-18/h2,6,8,10-14,19,25H,1,9H2,3-5H3/t19-/m0/s1 | PDB
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| 6.90 | 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]DEX from human glucocorticoid receptor |
J Med Chem 53: 3065-74 (2010)
Article DOI: 10.1021/jm901452y
BindingDB Entry DOI: 10.7270/Q2VQ33NH |
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 | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50315766
((S)-9-methoxy-2,2,4-trimethyl-5-phenyl-2,5-dihydro...)Show SMILES COc1ccc2O[C@@H](c3ccccc3)c3c(ccc4NC(C)(C)C=C(C)c34)-c2c1 |r,t:24| Show InChI InChI=1S/C26H25NO2/c1-16-15-26(2,3)27-21-12-11-19-20-14-18(28-4)10-13-22(20)29-25(24(19)23(16)21)17-8-6-5-7-9-17/h5-15,25,27H,1-4H3/t25-/m0/s1 | PDB
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| 18 | 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]DEX from human glucocorticoid receptor |
J Med Chem 53: 3065-74 (2010)
Article DOI: 10.1021/jm901452y
BindingDB Entry DOI: 10.7270/Q2VQ33NH |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM13775
((1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-...)Show SMILES [H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |t:23| Show InChI InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1 | PDB
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| 30 | 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]DEX from human glucocorticoid receptor |
J Med Chem 53: 3065-74 (2010)
Article DOI: 10.1021/jm901452y
BindingDB Entry DOI: 10.7270/Q2VQ33NH |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
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 | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50315764
((S)-5-allyl-9-cyanato-10-methoxy-2,2,4-trimethyl-2...)Show SMILES COc1c(OC#N)ccc2O[C@@H](CC=C)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |r,t:24| Show InChI InChI=1S/C24H24N2O3/c1-6-7-17-21-15(8-9-16-20(21)14(2)12-24(3,4)26-16)22-18(29-17)10-11-19(28-13-25)23(22)27-5/h6,8-12,17,26H,1,7H2,2-5H3/t17-/m0/s1 | PDB
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| 51 | 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]DEX from human glucocorticoid receptor |
J Med Chem 53: 3065-74 (2010)
Article DOI: 10.1021/jm901452y
BindingDB Entry DOI: 10.7270/Q2VQ33NH |
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
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| 100 | 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 | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50049508
(5-Bromo-4-methoxy-2-((1S,4R)-2,2,4-trimethyl-6-met...)Show SMILES COc1cc(C[C@@H]2C(=C)C[C@H](C)CC2(C)C)c(O)cc1Br Show InChI InChI=1S/C18H25BrO2/c1-11-6-12(2)14(18(3,4)10-11)7-13-8-17(21-5)15(19)9-16(13)20/h8-9,11,14,20H,2,6-7,10H2,1,3-5H3/t11-,14+/m0/s1 | PDB
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PC sid
UniChem
Similars
| Article
PubMed
| 1.04E+3 | 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]DEX from human glucocorticoid receptor |
J Med Chem 53: 3065-74 (2010)
Article DOI: 10.1021/jm901452y
BindingDB Entry DOI: 10.7270/Q2VQ33NH |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50049509
((R)-5-bromo-2-((2,2-dimethyl-6-methylenecyclohexyl...)Show InChI InChI=1S/C17H23BrO2/c1-11-6-5-7-17(2,3)13(11)8-12-9-16(20-4)14(18)10-15(12)19/h9-10,13,19H,1,5-8H2,2-4H3/t13-/m0/s1 | PDB
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
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Similars
| Article
PubMed
| 1.77E+3 | 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]DEX from human glucocorticoid receptor |
J Med Chem 53: 3065-74 (2010)
Article DOI: 10.1021/jm901452y
BindingDB Entry DOI: 10.7270/Q2VQ33NH |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50049506
(5-Bromo-2-((1S,3R)-3-bromo-2,2-dimethyl-6-methylen...)Show SMILES COc1cc(C[C@H]2C(=C)CC[C@@H](Br)C2(C)C)c(O)cc1Br Show InChI InChI=1S/C17H22Br2O2/c1-10-5-6-16(19)17(2,3)12(10)7-11-8-15(21-4)13(18)9-14(11)20/h8-9,12,16,20H,1,5-7H2,2-4H3/t12-,16+/m0/s1 | PDB
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 2.47E+3 | 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]DEX from human glucocorticoid receptor |
J Med Chem 53: 3065-74 (2010)
Article DOI: 10.1021/jm901452y
BindingDB Entry DOI: 10.7270/Q2VQ33NH |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50049497
(5-Bromo-2-((1R,3R)-3-bromo-2,2-dimethyl-6-methylen...)Show SMILES COc1cc(C[C@@H]2C(=C)CC[C@@H](Br)C2(C)C)c(O)cc1Br Show InChI InChI=1S/C17H22Br2O2/c1-10-5-6-16(19)17(2,3)12(10)7-11-8-15(21-4)13(18)9-14(11)20/h8-9,12,16,20H,1,5-7H2,2-4H3/t12-,16-/m1/s1 | PDB
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| CHEMBL
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PC sid
UniChem
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PubMed
| 3.21E+3 | 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]DEX from human glucocorticoid receptor |
J Med Chem 53: 3065-74 (2010)
Article DOI: 10.1021/jm901452y
BindingDB Entry DOI: 10.7270/Q2VQ33NH |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50315768
(5-bromo-4-methoxy-2-(((1S)-2,2,5-trimethyl-6-methy...)Show SMILES COc1cc(C[C@@H]2C(=C)C(C)CCC2(C)C)c(OC(C)=O)cc1Br |r| Show InChI InChI=1S/C20H27BrO3/c1-12-7-8-20(4,5)16(13(12)2)9-15-10-19(23-6)17(21)11-18(15)24-14(3)22/h10-12,16H,2,7-9H2,1,3-6H3/t12?,16-/m1/s1 | PDB
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| CHEMBL
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PC sid
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PubMed
| 4.11E+3 | 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]DEX from human glucocorticoid receptor |
J Med Chem 53: 3065-74 (2010)
Article DOI: 10.1021/jm901452y
BindingDB Entry DOI: 10.7270/Q2VQ33NH |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM18207
((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...)Show SMILES [H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |c:28,t:24| Show InChI InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1 | PDB
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MCE
KEGG
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PC cid
PC sid
PDB
UniChem
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Similars
| DrugBank
PDB
Article
PubMed
| n/a | n/a | 11.4 | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Displacement of fluoromone from human glucocorticoid receptor LBD assessed as reduction of maximum polarization by fluorescence polarization assay re... |
J Med Chem 53: 3065-74 (2010)
Article DOI: 10.1021/jm901452y
BindingDB Entry DOI: 10.7270/Q2VQ33NH |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Potassium voltage-gated channel subfamily A member 1
(Homo sapiens (Human)) | BDBM50237157
(CHEMBL4079366)Show SMILES Cl.Cl.Cc1ccc(cc1)C(c1ccc([nH]1)C(=O)NCCN)(c1ccc([nH]1)C(=O)NCCN)c1ccc(C)cc1 Show InChI InChI=1S/C29H34N6O2/c1-19-3-7-21(8-4-19)29(22-9-5-20(2)6-10-22,25-13-11-23(34-25)27(36)32-17-15-30)26-14-12-24(35-26)28(37)33-18-16-31/h3-14,34-35H,15-18,30-31H2,1-2H3,(H,32,36)(H,33,37) | PDB
MMDB
KEGG
UniProtKB/SwissProt
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dublin Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of Kv1.1 (unknown origin) expressed in HEK293 cells by whole cell patch clamp Qpatch method |
J Med Chem 60: 2245-2256 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01262
BindingDB Entry DOI: 10.7270/Q29K4DHG |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily A member 1
(Rattus norvegicus) | BDBM50237249
(CHEMBL4076021)Show SMILES CC(C)(C)OC(=O)NCCNC(=O)c1ccc(cc1)-c1c2ccc(n2)c(-c2ccc(cc2)C(=O)NCCNC(=O)OC(C)(C)C)c2ccc([nH]2)c(-c2ccc(cc2)C(=O)NCCNC(=O)OC(C)(C)C)c2ccc(n2)c(-c2ccc(cc2)C(=O)NCCNC(=O)OC(C)(C)C)c2ccc1[nH]2 Show InChI InChI=1S/C76H86N12O12/c1-73(2,3)97-69(93)81-41-37-77-65(89)49-21-13-45(14-22-49)61-53-29-31-55(85-53)62(46-15-23-50(24-16-46)66(90)78-38-42-82-70(94)98-74(4,5)6)57-33-35-59(87-57)64(48-19-27-52(28-20-48)68(92)80-40-44-84-72(96)100-76(10,11)12)60-36-34-58(88-60)63(56-32-30-54(61)86-56)47-17-25-51(26-18-47)67(91)79-39-43-83-71(95)99-75(7,8)9/h13-36,85,88H,37-44H2,1-12H3,(H,77,89)(H,78,90)(H,79,91)(H,80,92)(H,81,93)(H,82,94)(H,83,95)(H,84,96)/b61-53-,61-54-,62-55-,62-57-,63-56-,63-58-,64-59-,64-60- | PDB
UniProtKB/SwissProt
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dublin Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of recombinant rat Kv1.1 expressed in HEK293 cells at -90 mV holding potential by whole cell patch clamp Qpatch method |
J Med Chem 60: 2245-2256 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01262
BindingDB Entry DOI: 10.7270/Q29K4DHG |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50420542
(CHEMBL2086965)Show InChI InChI=1S/C18H13BrN2O3/c19-14-5-6-16(22)13(7-14)10-20-21-18(24)15-8-11-3-1-2-4-12(11)9-17(15)23/h1-10,22-23H,(H,21,24)/b20-10+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 1.33E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Antagonist activity at wild type AR LBD assessed as inhibition of DHT-induced fluorescent labeled D11-FxxLF recruitment after 2 to 4 hrs by TR-FRET a... |
J Med Chem 55: 1635-44 (2012)
Article DOI: 10.1021/jm201438f
BindingDB Entry DOI: 10.7270/Q27W6DG8 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily A member 1
(Rattus norvegicus) | BDBM50237157
(CHEMBL4079366)Show SMILES Cl.Cl.Cc1ccc(cc1)C(c1ccc([nH]1)C(=O)NCCN)(c1ccc([nH]1)C(=O)NCCN)c1ccc(C)cc1 Show InChI InChI=1S/C29H34N6O2/c1-19-3-7-21(8-4-19)29(22-9-5-20(2)6-10-22,25-13-11-23(34-25)27(36)32-17-15-30)26-14-12-24(35-26)28(37)33-18-16-31/h3-14,34-35H,15-18,30-31H2,1-2H3,(H,32,36)(H,33,37) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dublin Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of recombinant rat Kv(1.1)4 expressed in HEK293 cells at -90 mV holding potential by whole cell patch clamp Qpatch method |
J Med Chem 60: 2245-2256 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01262
BindingDB Entry DOI: 10.7270/Q29K4DHG |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50420539
(CHEMBL2086966)Show InChI InChI=1S/C22H16N2O3/c25-20-11-16-7-3-1-5-14(16)9-18(20)13-23-24-22(27)19-10-15-6-2-4-8-17(15)12-21(19)26/h1-13,25-26H,(H,24,27)/b23-13+ | PDB
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PC cid
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| Article
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| n/a | n/a | 1.59E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Antagonist activity at wild type AR LBD assessed as inhibition of DHT-induced fluorescent labeled D11-FxxLF recruitment after 2 to 4 hrs by TR-FRET a... |
J Med Chem 55: 1635-44 (2012)
Article DOI: 10.1021/jm201438f
BindingDB Entry DOI: 10.7270/Q27W6DG8 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily A member 1
(Rattus norvegicus) | BDBM50237157
(CHEMBL4079366)Show SMILES Cl.Cl.Cc1ccc(cc1)C(c1ccc([nH]1)C(=O)NCCN)(c1ccc([nH]1)C(=O)NCCN)c1ccc(C)cc1 Show InChI InChI=1S/C29H34N6O2/c1-19-3-7-21(8-4-19)29(22-9-5-20(2)6-10-22,25-13-11-23(34-25)27(36)32-17-15-30)26-14-12-24(35-26)28(37)33-18-16-31/h3-14,34-35H,15-18,30-31H2,1-2H3,(H,32,36)(H,33,37) | PDB
UniProtKB/SwissProt
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dublin Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of recombinant rat Kv1.1 expressed in HEK293 cells at -90 mV holding potential by whole cell patch clamp Qpatch method |
J Med Chem 60: 2245-2256 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01262
BindingDB Entry DOI: 10.7270/Q29K4DHG |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50420541
(CHEMBL2086967)Show SMILES CCCOc1ccc(\C=N\NC(=O)c2cc3c(ccc4ccccc34)o2)cc1 Show InChI InChI=1S/C23H20N2O3/c1-2-13-27-18-10-7-16(8-11-18)15-24-25-23(26)22-14-20-19-6-4-3-5-17(19)9-12-21(20)28-22/h3-12,14-15H,2,13H2,1H3,(H,25,26)/b24-15+ | PDB
MMDB
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KEGG
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| Purchase
CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 1.79E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Antagonist activity at wild type AR LBD assessed as inhibition of DHT-induced fluorescent labeled D11-FxxLF recruitment after 2 to 4 hrs by TR-FRET a... |
J Med Chem 55: 1635-44 (2012)
Article DOI: 10.1021/jm201438f
BindingDB Entry DOI: 10.7270/Q27W6DG8 |
More data for this
Ligand-Target Pair | |
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