Found 36 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 |
|---|
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50197428
(4-[(2-{[4-((9S,11R,13S,14S,17S)-17-hydroxy-13-meth...)Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)CC(=O)N(C)c1ccc(cc1)C(O)=O |c:18,t:11| Show InChI InChI=1S/C38H42N2O5/c1-5-19-38(45)20-18-33-31-16-10-26-21-29(41)15-17-30(26)35(31)32(22-37(33,38)2)24-6-11-27(12-7-24)39(3)23-34(42)40(4)28-13-8-25(9-14-28)36(43)44/h6-9,11-14,21,31-33,45H,10,15-18,20,22-23H2,1-4H3,(H,43,44)/t31-,32+,33-,37-,38-/m0/s1 | PDB
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| Article
PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Displacement of radiolabeled Dexamethasone from human GR |
Bioorg Med Chem Lett 17: 40-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.10.001
BindingDB Entry DOI: 10.7270/Q2DR2W9G |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50197435
(CHEMBL387814 | [4-({[4-((9S,11R,13S,14S,17S)-17-hy...)Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)Cc1ccc(cc1)C(=O)NCC(O)=O |c:18,t:11| Show InChI InChI=1S/C38H42N2O5/c1-4-18-38(45)19-17-33-31-15-11-27-20-29(41)14-16-30(27)35(31)32(21-37(33,38)2)25-9-12-28(13-10-25)40(3)23-24-5-7-26(8-6-24)36(44)39-22-34(42)43/h5-10,12-13,20,31-33,45H,11,14-17,19,21-23H2,1-3H3,(H,39,44)(H,42,43)/t31-,32+,33-,37-,38-/m0/s1 | PDB
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| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Displacement of radiolabeled Dexamethasone from human GR |
Bioorg Med Chem Lett 17: 40-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.10.001
BindingDB Entry DOI: 10.7270/Q2DR2W9G |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50197433
(4-{[(4-bromo-phenyl)-(2-{[4-((9S,11R,13S,14S,17S)-...)Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)CC(=O)N(Cc1ccc(cc1)C(O)=O)c1ccc(Br)cc1 |c:18,t:11| Show InChI InChI=1S/C44H45BrN2O5/c1-4-22-44(52)23-21-39-37-19-11-31-24-35(48)18-20-36(31)41(37)38(25-43(39,44)2)29-9-14-33(15-10-29)46(3)27-40(49)47(34-16-12-32(45)13-17-34)26-28-5-7-30(8-6-28)42(50)51/h5-10,12-17,24,37-39,52H,11,18-21,23,25-27H2,1-3H3,(H,50,51)/t37-,38+,39-,43-,44-/m0/s1 | PDB
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| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Displacement of radiolabeled Dexamethasone from human GR |
Bioorg Med Chem Lett 17: 40-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.10.001
BindingDB Entry DOI: 10.7270/Q2DR2W9G |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50197434
(4-{[benzyl-(2-{[4-((9S,11R,13S,14S,17S)-17-hydroxy...)Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)CC(=O)N(Cc1ccccc1)Cc1ccc(cc1)C(O)=O |c:18,t:11| Show InChI InChI=1S/C45H48N2O5/c1-4-23-45(52)24-22-40-38-20-16-34-25-36(48)19-21-37(34)42(38)39(26-44(40,45)2)32-14-17-35(18-15-32)46(3)29-41(49)47(27-30-8-6-5-7-9-30)28-31-10-12-33(13-11-31)43(50)51/h5-15,17-18,25,38-40,52H,16,19-22,24,26-29H2,1-3H3,(H,50,51)/t38-,39+,40-,44-,45-/m0/s1 | PDB
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| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Displacement of radiolabeled Dexamethasone from human GR |
Bioorg Med Chem Lett 17: 40-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.10.001
BindingDB Entry DOI: 10.7270/Q2DR2W9G |
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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| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Displacement of radiolabeled Dexamethasone from human GR |
Bioorg Med Chem Lett 17: 40-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.10.001
BindingDB Entry DOI: 10.7270/Q2DR2W9G |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50197425
(CHEMBL440227 | [4-({[4-((9S,11R,13S,14S,17S)-17-hy...)Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)Cc1ccc(CC(O)=O)cc1 |c:18,t:11| Show InChI InChI=1S/C37H41NO4/c1-4-18-37(42)19-17-33-31-15-11-27-21-29(39)14-16-30(27)35(31)32(22-36(33,37)2)26-9-12-28(13-10-26)38(3)23-25-7-5-24(6-8-25)20-34(40)41/h5-10,12-13,21,31-33,42H,11,14-17,19-20,22-23H2,1-3H3,(H,40,41)/t31-,32+,33-,36-,37-/m0/s1 | PDB
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| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Displacement of radiolabeled Dexamethasone from human GR |
Bioorg Med Chem Lett 17: 40-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.10.001
BindingDB Entry DOI: 10.7270/Q2DR2W9G |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50197427
(4-({[4-((9S,11R,13S,14S,17S)-17-hydroxy-13-methyl-...)Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)Cc1ccc(cc1)C(O)=O |c:18,t:11| Show InChI InChI=1S/C36H39NO4/c1-4-18-36(41)19-17-32-30-15-11-26-20-28(38)14-16-29(26)33(30)31(21-35(32,36)2)24-9-12-27(13-10-24)37(3)22-23-5-7-25(8-6-23)34(39)40/h5-10,12-13,20,30-32,41H,11,14-17,19,21-22H2,1-3H3,(H,39,40)/t30-,31+,32-,35-,36-/m0/s1 | PDB
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| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Displacement of radiolabeled Dexamethasone from human GR |
Bioorg Med Chem Lett 17: 40-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.10.001
BindingDB Entry DOI: 10.7270/Q2DR2W9G |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50197431
(4-(2-{[4-((9S,11R,13S,14S,17S)-17-hydroxy-13-methy...)Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)CC(=O)Nc1ccc(cc1)C(O)=O |c:18,t:11| Show InChI InChI=1S/C37H40N2O5/c1-4-18-37(44)19-17-32-30-15-9-25-20-28(40)14-16-29(25)34(30)31(21-36(32,37)2)23-7-12-27(13-8-23)39(3)22-33(41)38-26-10-5-24(6-11-26)35(42)43/h5-8,10-13,20,30-32,44H,9,14-17,19,21-22H2,1-3H3,(H,38,41)(H,42,43)/t30-,31+,32-,36-,37-/m0/s1 | PDB
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| 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Displacement of radiolabeled Dexamethasone from human GR |
Bioorg Med Chem Lett 17: 40-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.10.001
BindingDB Entry DOI: 10.7270/Q2DR2W9G |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50197429
(3-({[4-((9S,11R,13S,14S,17S)-17-hydroxy-13-methyl-...)Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)Cc1cccc(c1)C(O)=O |c:18,t:11| Show InChI InChI=1S/C36H39NO4/c1-4-17-36(41)18-16-32-30-14-10-25-20-28(38)13-15-29(25)33(30)31(21-35(32,36)2)24-8-11-27(12-9-24)37(3)22-23-6-5-7-26(19-23)34(39)40/h5-9,11-12,19-20,30-32,41H,10,13-16,18,21-22H2,1-3H3,(H,39,40)/t30-,31+,32-,35-,36-/m0/s1 | PDB
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| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Displacement of radiolabeled Dexamethasone from human GR |
Bioorg Med Chem Lett 17: 40-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.10.001
BindingDB Entry DOI: 10.7270/Q2DR2W9G |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50197432
((4R)-4-[(1S,2S,5S,7R,9R,10R,11R,14R,16S)-9,16-dihy...)Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)CCO[C@H]1CC[C@@]2(C)[C@@H](C1)C[C@@H](O)[C@@H]1[C@@H]2C[C@H](O)C2[C@H](CC[C@@]12C)[C@H](C)CCC(O)=O |c:18,t:11| Show InChI InChI=1S/C54H75NO7/c1-7-21-54(61)24-20-43-41-15-11-34-27-37(56)14-16-40(34)48(41)42(31-53(43,54)5)33-9-12-36(13-10-33)55(6)25-26-62-38-18-22-51(3)35(28-38)29-45(57)50-44(51)30-46(58)49-39(19-23-52(49,50)4)32(2)8-17-47(59)60/h9-10,12-13,27,32,35,38-39,41-46,49-50,57-58,61H,8,11,14-20,22-26,28-31H2,1-6H3,(H,59,60)/t32-,35+,38+,39-,41+,42-,43+,44+,45-,46+,49?,50+,51+,52-,53+,54+/m1/s1 | PDB
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| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Displacement of radiolabeled Dexamethasone from human GR |
Bioorg Med Chem Lett 17: 40-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.10.001
BindingDB Entry DOI: 10.7270/Q2DR2W9G |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50197425
(CHEMBL440227 | [4-({[4-((9S,11R,13S,14S,17S)-17-hy...)Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)Cc1ccc(CC(O)=O)cc1 |c:18,t:11| Show InChI InChI=1S/C37H41NO4/c1-4-18-37(42)19-17-33-31-15-11-27-21-29(39)14-16-30(27)35(31)32(22-36(33,37)2)26-9-12-28(13-10-26)38(3)23-25-7-5-24(6-8-25)20-34(40)41/h5-10,12-13,21,31-33,42H,11,14-17,19-20,22-23H2,1-3H3,(H,40,41)/t31-,32+,33-,36-,37-/m0/s1 | PDB
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| 4.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human GR expressed in hGRAF cells |
Bioorg Med Chem Lett 17: 40-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.10.001
BindingDB Entry DOI: 10.7270/Q2DR2W9G |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50197426
(5-{[4-((9S,11R,13S,14S,17S)-17-hydroxy-13-methyl-3...)Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)CCCCC(O)=O |c:18,t:11| Show InChI InChI=1S/C33H41NO4/c1-4-17-33(38)18-16-29-27-14-10-23-20-25(35)13-15-26(23)31(27)28(21-32(29,33)2)22-8-11-24(12-9-22)34(3)19-6-5-7-30(36)37/h8-9,11-12,20,27-29,38H,5-7,10,13-16,18-19,21H2,1-3H3,(H,36,37)/t27-,28+,29-,32-,33-/m0/s1 | PDB
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| 4.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Displacement of radiolabeled Dexamethasone from human GR |
Bioorg Med Chem Lett 17: 40-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.10.001
BindingDB Entry DOI: 10.7270/Q2DR2W9G |
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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| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human GR expressed in hGRAF cells |
Bioorg Med Chem Lett 17: 40-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.10.001
BindingDB Entry DOI: 10.7270/Q2DR2W9G |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50197427
(4-({[4-((9S,11R,13S,14S,17S)-17-hydroxy-13-methyl-...)Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)Cc1ccc(cc1)C(O)=O |c:18,t:11| Show InChI InChI=1S/C36H39NO4/c1-4-18-36(41)19-17-32-30-15-11-26-20-28(38)14-16-29(26)33(30)31(21-35(32,36)2)24-9-12-27(13-10-24)37(3)22-23-5-7-25(8-6-23)34(39)40/h5-10,12-13,20,30-32,41H,11,14-17,19,21-22H2,1-3H3,(H,39,40)/t30-,31+,32-,35-,36-/m0/s1 | PDB
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| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human GR expressed in hGRAF cells |
Bioorg Med Chem Lett 17: 40-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.10.001
BindingDB Entry DOI: 10.7270/Q2DR2W9G |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50197432
((4R)-4-[(1S,2S,5S,7R,9R,10R,11R,14R,16S)-9,16-dihy...)Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)CCO[C@H]1CC[C@@]2(C)[C@@H](C1)C[C@@H](O)[C@@H]1[C@@H]2C[C@H](O)C2[C@H](CC[C@@]12C)[C@H](C)CCC(O)=O |c:18,t:11| Show InChI InChI=1S/C54H75NO7/c1-7-21-54(61)24-20-43-41-15-11-34-27-37(56)14-16-40(34)48(41)42(31-53(43,54)5)33-9-12-36(13-10-33)55(6)25-26-62-38-18-22-51(3)35(28-38)29-45(57)50-44(51)30-46(58)49-39(19-23-52(49,50)4)32(2)8-17-47(59)60/h9-10,12-13,27,32,35,38-39,41-46,49-50,57-58,61H,8,11,14-20,22-26,28-31H2,1-6H3,(H,59,60)/t32-,35+,38+,39-,41+,42-,43+,44+,45-,46+,49?,50+,51+,52-,53+,54+/m1/s1 | PDB
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| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human GR expressed in hGRAF cells |
Bioorg Med Chem Lett 17: 40-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.10.001
BindingDB Entry DOI: 10.7270/Q2DR2W9G |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50197426
(5-{[4-((9S,11R,13S,14S,17S)-17-hydroxy-13-methyl-3...)Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)CCCCC(O)=O |c:18,t:11| Show InChI InChI=1S/C33H41NO4/c1-4-17-33(38)18-16-29-27-14-10-23-20-25(35)13-15-26(23)31(27)28(21-32(29,33)2)22-8-11-24(12-9-22)34(3)19-6-5-7-30(36)37/h8-9,11-12,20,27-29,38H,5-7,10,13-16,18-19,21H2,1-3H3,(H,36,37)/t27-,28+,29-,32-,33-/m0/s1 | PDB
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| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human GR expressed in hGRAF cells |
Bioorg Med Chem Lett 17: 40-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.10.001
BindingDB Entry DOI: 10.7270/Q2DR2W9G |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50197428
(4-[(2-{[4-((9S,11R,13S,14S,17S)-17-hydroxy-13-meth...)Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)CC(=O)N(C)c1ccc(cc1)C(O)=O |c:18,t:11| Show InChI InChI=1S/C38H42N2O5/c1-5-19-38(45)20-18-33-31-16-10-26-21-29(41)15-17-30(26)35(31)32(22-37(33,38)2)24-6-11-27(12-7-24)39(3)23-34(42)40(4)28-13-8-25(9-14-28)36(43)44/h6-9,11-14,21,31-33,45H,10,15-18,20,22-23H2,1-4H3,(H,43,44)/t31-,32+,33-,37-,38-/m0/s1 | PDB
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| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human GR expressed in hGRAF cells |
Bioorg Med Chem Lett 17: 40-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.10.001
BindingDB Entry DOI: 10.7270/Q2DR2W9G |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50197429
(3-({[4-((9S,11R,13S,14S,17S)-17-hydroxy-13-methyl-...)Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)Cc1cccc(c1)C(O)=O |c:18,t:11| Show InChI InChI=1S/C36H39NO4/c1-4-17-36(41)18-16-32-30-14-10-25-20-28(38)13-15-29(25)33(30)31(21-35(32,36)2)24-8-11-27(12-9-24)37(3)22-23-6-5-7-26(19-23)34(39)40/h5-9,11-12,19-20,30-32,41H,10,13-16,18,21-22H2,1-3H3,(H,39,40)/t30-,31+,32-,35-,36-/m0/s1 | PDB
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| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human GR expressed in hGRAF cells |
Bioorg Med Chem Lett 17: 40-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.10.001
BindingDB Entry DOI: 10.7270/Q2DR2W9G |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50197430
(CHEMBL245267 | [2-(2-{[4-((9S,11R,13S,14S,17S)-17-...)Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)CC(=O)Nc1nc(CC(O)=O)cs1 |c:18,t:11| Show InChI InChI=1S/C35H39N3O5S/c1-4-14-35(43)15-13-29-27-11-7-22-16-25(39)10-12-26(22)32(27)28(18-34(29,35)2)21-5-8-24(9-6-21)38(3)19-30(40)37-33-36-23(20-44-33)17-31(41)42/h5-6,8-9,16,20,27-29,43H,7,10-13,15,17-19H2,1-3H3,(H,41,42)(H,36,37,40)/t27-,28+,29-,34-,35-/m0/s1 | PDB
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| 31 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human GR transcriptional activation by HepTAT cells |
Bioorg Med Chem Lett 17: 40-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.10.001
BindingDB Entry DOI: 10.7270/Q2DR2W9G |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50197425
(CHEMBL440227 | [4-({[4-((9S,11R,13S,14S,17S)-17-hy...)Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)Cc1ccc(CC(O)=O)cc1 |c:18,t:11| Show InChI InChI=1S/C37H41NO4/c1-4-18-37(42)19-17-33-31-15-11-27-21-29(39)14-16-30(27)35(31)32(22-36(33,37)2)26-9-12-28(13-10-26)38(3)23-25-7-5-24(6-8-25)20-34(40)41/h5-10,12-13,21,31-33,42H,11,14-17,19-20,22-23H2,1-3H3,(H,40,41)/t31-,32+,33-,36-,37-/m0/s1 | PDB
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| 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human GR transcriptional activation by HepTAT cells |
Bioorg Med Chem Lett 17: 40-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.10.001
BindingDB Entry DOI: 10.7270/Q2DR2W9G |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50197433
(4-{[(4-bromo-phenyl)-(2-{[4-((9S,11R,13S,14S,17S)-...)Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)CC(=O)N(Cc1ccc(cc1)C(O)=O)c1ccc(Br)cc1 |c:18,t:11| Show InChI InChI=1S/C44H45BrN2O5/c1-4-22-44(52)23-21-39-37-19-11-31-24-35(48)18-20-36(31)41(37)38(25-43(39,44)2)29-9-14-33(15-10-29)46(3)27-40(49)47(34-16-12-32(45)13-17-34)26-28-5-7-30(8-6-28)42(50)51/h5-10,12-17,24,37-39,52H,11,18-21,23,25-27H2,1-3H3,(H,50,51)/t37-,38+,39-,43-,44-/m0/s1 | PDB
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| 33 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human GR transcriptional activation by HepTAT cells |
Bioorg Med Chem Lett 17: 40-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.10.001
BindingDB Entry DOI: 10.7270/Q2DR2W9G |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50197433
(4-{[(4-bromo-phenyl)-(2-{[4-((9S,11R,13S,14S,17S)-...)Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)CC(=O)N(Cc1ccc(cc1)C(O)=O)c1ccc(Br)cc1 |c:18,t:11| Show InChI InChI=1S/C44H45BrN2O5/c1-4-22-44(52)23-21-39-37-19-11-31-24-35(48)18-20-36(31)41(37)38(25-43(39,44)2)29-9-14-33(15-10-29)46(3)27-40(49)47(34-16-12-32(45)13-17-34)26-28-5-7-30(8-6-28)42(50)51/h5-10,12-17,24,37-39,52H,11,18-21,23,25-27H2,1-3H3,(H,50,51)/t37-,38+,39-,43-,44-/m0/s1 | PDB
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| 33 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human GR expressed in hGRAF cells |
Bioorg Med Chem Lett 17: 40-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.10.001
BindingDB Entry DOI: 10.7270/Q2DR2W9G |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50197430
(CHEMBL245267 | [2-(2-{[4-((9S,11R,13S,14S,17S)-17-...)Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)CC(=O)Nc1nc(CC(O)=O)cs1 |c:18,t:11| Show InChI InChI=1S/C35H39N3O5S/c1-4-14-35(43)15-13-29-27-11-7-22-16-25(39)10-12-26(22)32(27)28(18-34(29,35)2)21-5-8-24(9-6-21)38(3)19-30(40)37-33-36-23(20-44-33)17-31(41)42/h5-6,8-9,16,20,27-29,43H,7,10-13,15,17-19H2,1-3H3,(H,41,42)(H,36,37,40)/t27-,28+,29-,34-,35-/m0/s1 | PDB
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| 35 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Displacement of radiolabeled Dexamethasone from human GR |
Bioorg Med Chem Lett 17: 40-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.10.001
BindingDB Entry DOI: 10.7270/Q2DR2W9G |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50197435
(CHEMBL387814 | [4-({[4-((9S,11R,13S,14S,17S)-17-hy...)Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)Cc1ccc(cc1)C(=O)NCC(O)=O |c:18,t:11| Show InChI InChI=1S/C38H42N2O5/c1-4-18-38(45)19-17-33-31-15-11-27-20-29(41)14-16-30(27)35(31)32(21-37(33,38)2)25-9-12-28(13-10-25)40(3)23-24-5-7-26(8-6-24)36(44)39-22-34(42)43/h5-10,12-13,20,31-33,45H,11,14-17,19,21-23H2,1-3H3,(H,39,44)(H,42,43)/t31-,32+,33-,37-,38-/m0/s1 | PDB
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| 36 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human GR transcriptional activation by HepTAT cells |
Bioorg Med Chem Lett 17: 40-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.10.001
BindingDB Entry DOI: 10.7270/Q2DR2W9G |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50197434
(4-{[benzyl-(2-{[4-((9S,11R,13S,14S,17S)-17-hydroxy...)Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)CC(=O)N(Cc1ccccc1)Cc1ccc(cc1)C(O)=O |c:18,t:11| Show InChI InChI=1S/C45H48N2O5/c1-4-23-45(52)24-22-40-38-20-16-34-25-36(48)19-21-37(34)42(38)39(26-44(40,45)2)32-14-17-35(18-15-32)46(3)29-41(49)47(27-30-8-6-5-7-9-30)28-31-10-12-33(13-11-31)43(50)51/h5-15,17-18,25,38-40,52H,16,19-22,24,26-29H2,1-3H3,(H,50,51)/t38-,39+,40-,44-,45-/m0/s1 | PDB
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| 39 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human GR expressed in hGRAF cells |
Bioorg Med Chem Lett 17: 40-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.10.001
BindingDB Entry DOI: 10.7270/Q2DR2W9G |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50197427
(4-({[4-((9S,11R,13S,14S,17S)-17-hydroxy-13-methyl-...)Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)Cc1ccc(cc1)C(O)=O |c:18,t:11| Show InChI InChI=1S/C36H39NO4/c1-4-18-36(41)19-17-32-30-15-11-26-20-28(38)14-16-29(26)33(30)31(21-35(32,36)2)24-9-12-27(13-10-24)37(3)22-23-5-7-25(8-6-23)34(39)40/h5-10,12-13,20,30-32,41H,11,14-17,19,21-22H2,1-3H3,(H,39,40)/t30-,31+,32-,35-,36-/m0/s1 | PDB
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| 52 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human GR transcriptional activation by HepTAT cells |
Bioorg Med Chem Lett 17: 40-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.10.001
BindingDB Entry DOI: 10.7270/Q2DR2W9G |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50197434
(4-{[benzyl-(2-{[4-((9S,11R,13S,14S,17S)-17-hydroxy...)Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)CC(=O)N(Cc1ccccc1)Cc1ccc(cc1)C(O)=O |c:18,t:11| Show InChI InChI=1S/C45H48N2O5/c1-4-23-45(52)24-22-40-38-20-16-34-25-36(48)19-21-37(34)42(38)39(26-44(40,45)2)32-14-17-35(18-15-32)46(3)29-41(49)47(27-30-8-6-5-7-9-30)28-31-10-12-33(13-11-31)43(50)51/h5-15,17-18,25,38-40,52H,16,19-22,24,26-29H2,1-3H3,(H,50,51)/t38-,39+,40-,44-,45-/m0/s1 | PDB
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| 57 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human GR transcriptional activation by HepTAT cells |
Bioorg Med Chem Lett 17: 40-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.10.001
BindingDB Entry DOI: 10.7270/Q2DR2W9G |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50197428
(4-[(2-{[4-((9S,11R,13S,14S,17S)-17-hydroxy-13-meth...)Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)CC(=O)N(C)c1ccc(cc1)C(O)=O |c:18,t:11| Show InChI InChI=1S/C38H42N2O5/c1-5-19-38(45)20-18-33-31-16-10-26-21-29(41)15-17-30(26)35(31)32(22-37(33,38)2)24-6-11-27(12-7-24)39(3)23-34(42)40(4)28-13-8-25(9-14-28)36(43)44/h6-9,11-14,21,31-33,45H,10,15-18,20,22-23H2,1-4H3,(H,43,44)/t31-,32+,33-,37-,38-/m0/s1 | PDB
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| 64 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human GR transcriptional activation by HepTAT cells |
Bioorg Med Chem Lett 17: 40-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.10.001
BindingDB Entry DOI: 10.7270/Q2DR2W9G |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50197431
(4-(2-{[4-((9S,11R,13S,14S,17S)-17-hydroxy-13-methy...)Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)CC(=O)Nc1ccc(cc1)C(O)=O |c:18,t:11| Show InChI InChI=1S/C37H40N2O5/c1-4-18-37(44)19-17-32-30-15-9-25-20-28(40)14-16-29(25)34(30)31(21-36(32,37)2)23-7-12-27(13-8-23)39(3)22-33(41)38-26-10-5-24(6-11-26)35(42)43/h5-8,10-13,20,30-32,44H,9,14-17,19,21-22H2,1-3H3,(H,38,41)(H,42,43)/t30-,31+,32-,36-,37-/m0/s1 | PDB
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| 75 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human GR transcriptional activation by HepTAT cells |
Bioorg Med Chem Lett 17: 40-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.10.001
BindingDB Entry DOI: 10.7270/Q2DR2W9G |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50197435
(CHEMBL387814 | [4-({[4-((9S,11R,13S,14S,17S)-17-hy...)Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)Cc1ccc(cc1)C(=O)NCC(O)=O |c:18,t:11| Show InChI InChI=1S/C38H42N2O5/c1-4-18-38(45)19-17-33-31-15-11-27-20-29(41)14-16-30(27)35(31)32(21-37(33,38)2)25-9-12-28(13-10-25)40(3)23-24-5-7-26(8-6-24)36(44)39-22-34(42)43/h5-10,12-13,20,31-33,45H,11,14-17,19,21-23H2,1-3H3,(H,39,44)(H,42,43)/t31-,32+,33-,37-,38-/m0/s1 | PDB
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| 90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human GR expressed in hGRAF cells |
Bioorg Med Chem Lett 17: 40-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.10.001
BindingDB Entry DOI: 10.7270/Q2DR2W9G |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50197431
(4-(2-{[4-((9S,11R,13S,14S,17S)-17-hydroxy-13-methy...)Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)CC(=O)Nc1ccc(cc1)C(O)=O |c:18,t:11| Show InChI InChI=1S/C37H40N2O5/c1-4-18-37(44)19-17-32-30-15-9-25-20-28(40)14-16-29(25)34(30)31(21-36(32,37)2)23-7-12-27(13-8-23)39(3)22-33(41)38-26-10-5-24(6-11-26)35(42)43/h5-8,10-13,20,30-32,44H,9,14-17,19,21-22H2,1-3H3,(H,38,41)(H,42,43)/t30-,31+,32-,36-,37-/m0/s1 | PDB
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| 91.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human GR expressed in hGRAF cells |
Bioorg Med Chem Lett 17: 40-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.10.001
BindingDB Entry DOI: 10.7270/Q2DR2W9G |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50197429
(3-({[4-((9S,11R,13S,14S,17S)-17-hydroxy-13-methyl-...)Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)Cc1cccc(c1)C(O)=O |c:18,t:11| Show InChI InChI=1S/C36H39NO4/c1-4-17-36(41)18-16-32-30-14-10-25-20-28(38)13-15-29(25)33(30)31(21-35(32,36)2)24-8-11-27(12-9-24)37(3)22-23-6-5-7-26(19-23)34(39)40/h5-9,11-12,19-20,30-32,41H,10,13-16,18,21-22H2,1-3H3,(H,39,40)/t30-,31+,32-,35-,36-/m0/s1 | PDB
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| 112 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human GR transcriptional activation by HepTAT cells |
Bioorg Med Chem Lett 17: 40-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.10.001
BindingDB Entry DOI: 10.7270/Q2DR2W9G |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50197426
(5-{[4-((9S,11R,13S,14S,17S)-17-hydroxy-13-methyl-3...)Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)CCCCC(O)=O |c:18,t:11| Show InChI InChI=1S/C33H41NO4/c1-4-17-33(38)18-16-29-27-14-10-23-20-25(35)13-15-26(23)31(27)28(21-32(29,33)2)22-8-11-24(12-9-22)34(3)19-6-5-7-30(36)37/h8-9,11-12,20,27-29,38H,5-7,10,13-16,18-19,21H2,1-3H3,(H,36,37)/t27-,28+,29-,32-,33-/m0/s1 | PDB
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| 127 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human GR transcriptional activation by HepTAT cells |
Bioorg Med Chem Lett 17: 40-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.10.001
BindingDB Entry DOI: 10.7270/Q2DR2W9G |
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
| 169 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human GR transcriptional activation by HepTAT cells |
Bioorg Med Chem Lett 17: 40-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.10.001
BindingDB Entry DOI: 10.7270/Q2DR2W9G |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50197432
((4R)-4-[(1S,2S,5S,7R,9R,10R,11R,14R,16S)-9,16-dihy...)Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)CCO[C@H]1CC[C@@]2(C)[C@@H](C1)C[C@@H](O)[C@@H]1[C@@H]2C[C@H](O)C2[C@H](CC[C@@]12C)[C@H](C)CCC(O)=O |c:18,t:11| Show InChI InChI=1S/C54H75NO7/c1-7-21-54(61)24-20-43-41-15-11-34-27-37(56)14-16-40(34)48(41)42(31-53(43,54)5)33-9-12-36(13-10-33)55(6)25-26-62-38-18-22-51(3)35(28-38)29-45(57)50-44(51)30-46(58)49-39(19-23-52(49,50)4)32(2)8-17-47(59)60/h9-10,12-13,27,32,35,38-39,41-46,49-50,57-58,61H,8,11,14-20,22-26,28-31H2,1-6H3,(H,59,60)/t32-,35+,38+,39-,41+,42-,43+,44+,45-,46+,49?,50+,51+,52-,53+,54+/m1/s1 | PDB
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| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human GR transcriptional activation by HepTAT cells |
Bioorg Med Chem Lett 17: 40-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.10.001
BindingDB Entry DOI: 10.7270/Q2DR2W9G |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50197430
(CHEMBL245267 | [2-(2-{[4-((9S,11R,13S,14S,17S)-17-...)Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)CC(=O)Nc1nc(CC(O)=O)cs1 |c:18,t:11| Show InChI InChI=1S/C35H39N3O5S/c1-4-14-35(43)15-13-29-27-11-7-22-16-25(39)10-12-26(22)32(27)28(18-34(29,35)2)21-5-8-24(9-6-21)38(3)19-30(40)37-33-36-23(20-44-33)17-31(41)42/h5-6,8-9,16,20,27-29,43H,7,10-13,15,17-19H2,1-3H3,(H,41,42)(H,36,37,40)/t27-,28+,29-,34-,35-/m0/s1 | PDB
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| 765 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human GR expressed in hGRAF cells |
Bioorg Med Chem Lett 17: 40-4 (2006)
Article DOI: 10.1016/j.bmcl.2006.10.001
BindingDB Entry DOI: 10.7270/Q2DR2W9G |
More data for this
Ligand-Target Pair | |
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