Found 32 hits with Last Name = 'jagoe' and Initial = 'wn' 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)) | 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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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)) | 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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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)) | 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 | |
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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PDB
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) |
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) |
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 | |
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 | |
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 | |
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 | |
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) |
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 | |
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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| 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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| 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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| 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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| Article
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
PC cid
PC sid
UniChem
Similars
| Article
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
MMDB
PC cid
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PDB
UniChem
Patents
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) |
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
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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 | |
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
MMDB
NCI pathway
Reactome pathway
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CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 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 | |
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
NCI pathway
Reactome pathway
KEGG
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CHEMBL
PC cid
PC sid
UniChem
Similars
| 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 | |
Progesterone 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
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CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.25E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Antagonist activity at PR assessed as inhibition of progesterone-induced fluorescent labelled SRC1-4 recruitment after 2 to 4 hrs by TR-FRET assay |
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 | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50420540
(CHEMBL2086964)Show SMILES COc1cc(\C=N\NC(=O)c2cc3c(ccc4ccccc34)o2)cc(OC)c1O Show InChI InChI=1S/C22H18N2O5/c1-27-18-9-13(10-19(28-2)21(18)25)12-23-24-22(26)20-11-16-15-6-4-3-5-14(15)7-8-17(16)29-20/h3-12,25H,1-2H3,(H,24,26)/b23-12+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.63E+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 | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50420540
(CHEMBL2086964)Show SMILES COc1cc(\C=N\NC(=O)c2cc3c(ccc4ccccc34)o2)cc(OC)c1O Show InChI InChI=1S/C22H18N2O5/c1-27-18-9-13(10-19(28-2)21(18)25)12-23-24-22(26)20-11-16-15-6-4-3-5-14(15)7-8-17(16)29-20/h3-12,25H,1-2H3,(H,24,26)/b23-12+ | PDB
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PC sid
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| Article
PubMed
| n/a | n/a | 2.77E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Antagonist activity at PR assessed as inhibition of progesterone-induced fluorescent labelled SRC1-4 recruitment after 2 to 4 hrs by TR-FRET assay |
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 | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50420540
(CHEMBL2086964)Show SMILES COc1cc(\C=N\NC(=O)c2cc3c(ccc4ccccc34)o2)cc(OC)c1O Show InChI InChI=1S/C22H18N2O5/c1-27-18-9-13(10-19(28-2)21(18)25)12-23-24-22(26)20-11-16-15-6-4-3-5-14(15)7-8-17(16)29-20/h3-12,25H,1-2H3,(H,24,26)/b23-12+ | PDB
UniProtKB/SwissProt
antibodypedia
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PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Displacement of fluorescent labelled PGC-1alpha from estradiol-ERbeta complex after 2 to 4 hrs by TR-FRET assay |
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 | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50420540
(CHEMBL2086964)Show SMILES COc1cc(\C=N\NC(=O)c2cc3c(ccc4ccccc34)o2)cc(OC)c1O Show InChI InChI=1S/C22H18N2O5/c1-27-18-9-13(10-19(28-2)21(18)25)12-23-24-22(26)20-11-16-15-6-4-3-5-14(15)7-8-17(16)29-20/h3-12,25H,1-2H3,(H,24,26)/b23-12+ | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Displacement of fluorescent labelled PGC-1alpha from estradiol-ERalpha complex after 2 to 4 hrs by TR-FRET assay |
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 | |
Estrogen 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
UniProtKB/SwissProt
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Displacement of fluorescent labelled PGC-1alpha from estradiol-ERalpha complex after 2 to 4 hrs by TR-FRET assay |
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 | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50420540
(CHEMBL2086964)Show SMILES COc1cc(\C=N\NC(=O)c2cc3c(ccc4ccccc34)o2)cc(OC)c1O Show InChI InChI=1S/C22H18N2O5/c1-27-18-9-13(10-19(28-2)21(18)25)12-23-24-22(26)20-11-16-15-6-4-3-5-14(15)7-8-17(16)29-20/h3-12,25H,1-2H3,(H,24,26)/b23-12+ | PDB
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PC cid
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| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Displacement of fluorescent labelled SRC1-4 from dexamethasone-GR complex after 2 to 4 hrs by TR-FRET assay |
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 | |
Glucocorticoid 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
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CHEMBL
PC cid
PC sid
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| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Displacement of fluorescent labelled SRC1-4 from dexamethasone-GR complex after 2 to 4 hrs by TR-FRET assay |
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 | |
Estrogen receptor beta
(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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
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CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description
Displacement of fluorescent labelled PGC-1alpha from estradiol-ERbeta complex after 2 to 4 hrs by TR-FRET assay |
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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