Found 43 hits Enz. Inhib. hit(s) with all data for entry = 50042268 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)) | 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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| DrugBank
PDB
Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB transrepression assay |
Bioorg Med Chem Lett 17: 4737-45 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.066
BindingDB Entry DOI: 10.7270/Q2KD206G |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50414623
(CHEMBL394168)Show SMILES CCC1(CC(O)(CNC(=O)c2cnn(c2N)-c2ccccc2)C(F)(F)F)CCCc2ccccc12 Show InChI InChI=1S/C26H29F3N4O2/c1-2-24(14-8-10-18-9-6-7-13-21(18)24)16-25(35,26(27,28)29)17-31-23(34)20-15-32-33(22(20)30)19-11-4-3-5-12-19/h3-7,9,11-13,15,35H,2,8,10,14,16-17,30H2,1H3,(H,31,34) | PDB
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PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB transrepression assay |
Bioorg Med Chem Lett 17: 4737-45 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.066
BindingDB Entry DOI: 10.7270/Q2KD206G |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50423192
(CHEMBL237973)Show SMILES CCC1(CC(O)(CNC(=O)c2cnn(c2N)-c2ccc(F)cc2)C(F)(F)F)CCCc2ccccc12 Show InChI InChI=1S/C26H28F4N4O2/c1-2-24(13-5-7-17-6-3-4-8-21(17)24)15-25(36,26(28,29)30)16-32-23(35)20-14-33-34(22(20)31)19-11-9-18(27)10-12-19/h3-4,6,8-12,14,36H,2,5,7,13,15-16,31H2,1H3,(H,32,35) | PDB
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB transrepression assay |
Bioorg Med Chem Lett 17: 4737-45 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.066
BindingDB Entry DOI: 10.7270/Q2KD206G |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50423192
(CHEMBL237973)Show SMILES CCC1(CC(O)(CNC(=O)c2cnn(c2N)-c2ccc(F)cc2)C(F)(F)F)CCCc2ccccc12 Show InChI InChI=1S/C26H28F4N4O2/c1-2-24(13-5-7-17-6-3-4-8-21(17)24)15-25(36,26(28,29)30)16-32-23(35)20-14-33-34(22(20)31)19-11-9-18(27)10-12-19/h3-4,6,8-12,14,36H,2,5,7,13,15-16,31H2,1H3,(H,32,35) | PDB
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB transrepression assay |
Bioorg Med Chem Lett 17: 4737-45 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.066
BindingDB Entry DOI: 10.7270/Q2KD206G |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50423195
(CHEMBL393011)Show SMILES CCC1(CC(O)(CNC(=O)c2cnn(c2N)-c2ccc(F)cc2F)C(F)(F)F)CCCc2ccccc12 Show InChI InChI=1S/C26H27F5N4O2/c1-2-24(11-5-7-16-6-3-4-8-19(16)24)14-25(37,26(29,30)31)15-33-23(36)18-13-34-35(22(18)32)21-10-9-17(27)12-20(21)28/h3-4,6,8-10,12-13,37H,2,5,7,11,14-15,32H2,1H3,(H,33,36) | PDB
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PC cid
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PubMed
| n/a | n/a | 4.47 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB transrepression assay |
Bioorg Med Chem Lett 17: 4737-45 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.066
BindingDB Entry DOI: 10.7270/Q2KD206G |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50423195
(CHEMBL393011)Show SMILES CCC1(CC(O)(CNC(=O)c2cnn(c2N)-c2ccc(F)cc2F)C(F)(F)F)CCCc2ccccc12 Show InChI InChI=1S/C26H27F5N4O2/c1-2-24(11-5-7-16-6-3-4-8-19(16)24)14-25(37,26(29,30)31)15-33-23(36)18-13-34-35(22(18)32)21-10-9-17(27)12-20(21)28/h3-4,6,8-10,12-13,37H,2,5,7,11,14-15,32H2,1H3,(H,33,36) | PDB
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PC cid
PC sid
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PubMed
| n/a | n/a | 4.47 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB transrepression assay |
Bioorg Med Chem Lett 17: 4737-45 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.066
BindingDB Entry DOI: 10.7270/Q2KD206G |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50423195
(CHEMBL393011)Show SMILES CCC1(CC(O)(CNC(=O)c2cnn(c2N)-c2ccc(F)cc2F)C(F)(F)F)CCCc2ccccc12 Show InChI InChI=1S/C26H27F5N4O2/c1-2-24(11-5-7-16-6-3-4-8-19(16)24)14-25(37,26(29,30)31)15-33-23(36)18-13-34-35(22(18)32)21-10-9-17(27)12-20(21)28/h3-4,6,8-10,12-13,37H,2,5,7,11,14-15,32H2,1H3,(H,33,36) | PDB
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PubMed
| n/a | n/a | 4.70 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor |
Bioorg Med Chem Lett 17: 4737-45 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.066
BindingDB Entry DOI: 10.7270/Q2KD206G |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50423195
(CHEMBL393011)Show SMILES CCC1(CC(O)(CNC(=O)c2cnn(c2N)-c2ccc(F)cc2F)C(F)(F)F)CCCc2ccccc12 Show InChI InChI=1S/C26H27F5N4O2/c1-2-24(11-5-7-16-6-3-4-8-19(16)24)14-25(37,26(29,30)31)15-33-23(36)18-13-34-35(22(18)32)21-10-9-17(27)12-20(21)28/h3-4,6,8-10,12-13,37H,2,5,7,11,14-15,32H2,1H3,(H,33,36) | PDB
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| CHEMBL
PC cid
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UniChem
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| Article
PubMed
| n/a | n/a | 4.70 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor |
Bioorg Med Chem Lett 17: 4737-45 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.066
BindingDB Entry DOI: 10.7270/Q2KD206G |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50423191
(CHEMBL234988)Show SMILES Nc1c(cnn1-c1ccccc1)C(=O)NCC(O)(CC1(CCC1)c1cc(F)ccc1Cl)C(F)(F)F Show InChI InChI=1S/C24H23ClF4N4O2/c25-19-8-7-15(26)11-18(19)22(9-4-10-22)13-23(35,24(27,28)29)14-31-21(34)17-12-32-33(20(17)30)16-5-2-1-3-6-16/h1-3,5-8,11-12,35H,4,9-10,13-14,30H2,(H,31,34) | PDB
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PC cid
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UniChem
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| Article
PubMed
| n/a | n/a | 4.79 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor |
Bioorg Med Chem Lett 17: 4737-45 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.066
BindingDB Entry DOI: 10.7270/Q2KD206G |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50423191
(CHEMBL234988)Show SMILES Nc1c(cnn1-c1ccccc1)C(=O)NCC(O)(CC1(CCC1)c1cc(F)ccc1Cl)C(F)(F)F Show InChI InChI=1S/C24H23ClF4N4O2/c25-19-8-7-15(26)11-18(19)22(9-4-10-22)13-23(35,24(27,28)29)14-31-21(34)17-12-32-33(20(17)30)16-5-2-1-3-6-16/h1-3,5-8,11-12,35H,4,9-10,13-14,30H2,(H,31,34) | PDB
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PubMed
| n/a | n/a | 4.79 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor |
Bioorg Med Chem Lett 17: 4737-45 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.066
BindingDB Entry DOI: 10.7270/Q2KD206G |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50423194
(CHEMBL236947)Show SMILES CC1(CC(O)(CNC(=O)c2cnn(c2N)-c2ccccc2)C(F)(F)F)CCCc2ccccc12 Show InChI InChI=1S/C25H27F3N4O2/c1-23(13-7-9-17-8-5-6-12-20(17)23)15-24(34,25(26,27)28)16-30-22(33)19-14-31-32(21(19)29)18-10-3-2-4-11-18/h2-6,8,10-12,14,34H,7,9,13,15-16,29H2,1H3,(H,30,33) | PDB
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| n/a | n/a | 5.13 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor |
Bioorg Med Chem Lett 17: 4737-45 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.066
BindingDB Entry DOI: 10.7270/Q2KD206G |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50423194
(CHEMBL236947)Show SMILES CC1(CC(O)(CNC(=O)c2cnn(c2N)-c2ccccc2)C(F)(F)F)CCCc2ccccc12 Show InChI InChI=1S/C25H27F3N4O2/c1-23(13-7-9-17-8-5-6-12-20(17)23)15-24(34,25(26,27)28)16-30-22(33)19-14-31-32(21(19)29)18-10-3-2-4-11-18/h2-6,8,10-12,14,34H,7,9,13,15-16,29H2,1H3,(H,30,33) | PDB
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| Article
PubMed
| n/a | n/a | 5.13 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor |
Bioorg Med Chem Lett 17: 4737-45 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.066
BindingDB Entry DOI: 10.7270/Q2KD206G |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50423194
(CHEMBL236947)Show SMILES CC1(CC(O)(CNC(=O)c2cnn(c2N)-c2ccccc2)C(F)(F)F)CCCc2ccccc12 Show InChI InChI=1S/C25H27F3N4O2/c1-23(13-7-9-17-8-5-6-12-20(17)23)15-24(34,25(26,27)28)16-30-22(33)19-14-31-32(21(19)29)18-10-3-2-4-11-18/h2-6,8,10-12,14,34H,7,9,13,15-16,29H2,1H3,(H,30,33) | PDB
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| n/a | n/a | 5.89 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB transrepression assay |
Bioorg Med Chem Lett 17: 4737-45 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.066
BindingDB Entry DOI: 10.7270/Q2KD206G |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50423194
(CHEMBL236947)Show SMILES CC1(CC(O)(CNC(=O)c2cnn(c2N)-c2ccccc2)C(F)(F)F)CCCc2ccccc12 Show InChI InChI=1S/C25H27F3N4O2/c1-23(13-7-9-17-8-5-6-12-20(17)23)15-24(34,25(26,27)28)16-30-22(33)19-14-31-32(21(19)29)18-10-3-2-4-11-18/h2-6,8,10-12,14,34H,7,9,13,15-16,29H2,1H3,(H,30,33) | PDB
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PubMed
| n/a | n/a | 5.89 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB transrepression assay |
Bioorg Med Chem Lett 17: 4737-45 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.066
BindingDB Entry DOI: 10.7270/Q2KD206G |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50423193
(CHEMBL235208)Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(CNC(=O)c1cnn(c1N)-c1ccc(F)cc1)C(F)(F)F Show InChI InChI=1S/C24H25F5N4O3/c1-22(2,18-10-15(26)6-9-19(18)36-3)12-23(35,24(27,28)29)13-31-21(34)17-11-32-33(20(17)30)16-7-4-14(25)5-8-16/h4-11,35H,12-13,30H2,1-3H3,(H,31,34) | PDB
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| n/a | n/a | 6.80 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor |
Bioorg Med Chem Lett 17: 4737-45 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.066
BindingDB Entry DOI: 10.7270/Q2KD206G |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50423193
(CHEMBL235208)Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(CNC(=O)c1cnn(c1N)-c1ccc(F)cc1)C(F)(F)F Show InChI InChI=1S/C24H25F5N4O3/c1-22(2,18-10-15(26)6-9-19(18)36-3)12-23(35,24(27,28)29)13-31-21(34)17-11-32-33(20(17)30)16-7-4-14(25)5-8-16/h4-11,35H,12-13,30H2,1-3H3,(H,31,34) | PDB
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 6.80 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor |
Bioorg Med Chem Lett 17: 4737-45 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.066
BindingDB Entry DOI: 10.7270/Q2KD206G |
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
| n/a | n/a | 6.90 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor |
Bioorg Med Chem Lett 17: 4737-45 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.066
BindingDB Entry DOI: 10.7270/Q2KD206G |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50414623
(CHEMBL394168)Show SMILES CCC1(CC(O)(CNC(=O)c2cnn(c2N)-c2ccccc2)C(F)(F)F)CCCc2ccccc12 Show InChI InChI=1S/C26H29F3N4O2/c1-2-24(14-8-10-18-9-6-7-13-21(18)24)16-25(35,26(27,28)29)17-31-23(34)20-15-32-33(22(20)30)19-11-4-3-5-12-19/h3-7,9,11-13,15,35H,2,8,10,14,16-17,30H2,1H3,(H,31,34) | PDB
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| n/a | n/a | 7.40 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor |
Bioorg Med Chem Lett 17: 4737-45 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.066
BindingDB Entry DOI: 10.7270/Q2KD206G |
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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| n/a | n/a | 7.60 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor |
Bioorg Med Chem Lett 17: 4737-45 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.066
BindingDB Entry DOI: 10.7270/Q2KD206G |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50423189
(CHEMBL392319)Show SMILES Cc1c(cnn1-c1ccccc1)C(=O)NCC(O)(CC1(C)CCCc2ccccc12)C(F)(F)F Show InChI InChI=1S/C26H28F3N3O2/c1-18-21(15-31-32(18)20-11-4-3-5-12-20)23(33)30-17-25(34,26(27,28)29)16-24(2)14-8-10-19-9-6-7-13-22(19)24/h3-7,9,11-13,15,34H,8,10,14,16-17H2,1-2H3,(H,30,33) | PDB
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| n/a | n/a | 9.30 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor |
Bioorg Med Chem Lett 17: 4737-45 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.066
BindingDB Entry DOI: 10.7270/Q2KD206G |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50423189
(CHEMBL392319)Show SMILES Cc1c(cnn1-c1ccccc1)C(=O)NCC(O)(CC1(C)CCCc2ccccc12)C(F)(F)F Show InChI InChI=1S/C26H28F3N3O2/c1-18-21(15-31-32(18)20-11-4-3-5-12-20)23(33)30-17-25(34,26(27,28)29)16-24(2)14-8-10-19-9-6-7-13-22(19)24/h3-7,9,11-13,15,34H,8,10,14,16-17H2,1-2H3,(H,30,33) | PDB
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| n/a | n/a | 9.30 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor |
Bioorg Med Chem Lett 17: 4737-45 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.066
BindingDB Entry DOI: 10.7270/Q2KD206G |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50423192
(CHEMBL237973)Show SMILES CCC1(CC(O)(CNC(=O)c2cnn(c2N)-c2ccc(F)cc2)C(F)(F)F)CCCc2ccccc12 Show InChI InChI=1S/C26H28F4N4O2/c1-2-24(13-5-7-17-6-3-4-8-21(17)24)15-25(36,26(28,29)30)16-32-23(35)20-14-33-34(22(20)31)19-11-9-18(27)10-12-19/h3-4,6,8-12,14,36H,2,5,7,13,15-16,31H2,1H3,(H,32,35) | PDB
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| n/a | n/a | 9.80 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor |
Bioorg Med Chem Lett 17: 4737-45 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.066
BindingDB Entry DOI: 10.7270/Q2KD206G |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50423192
(CHEMBL237973)Show SMILES CCC1(CC(O)(CNC(=O)c2cnn(c2N)-c2ccc(F)cc2)C(F)(F)F)CCCc2ccccc12 Show InChI InChI=1S/C26H28F4N4O2/c1-2-24(13-5-7-17-6-3-4-8-21(17)24)15-25(36,26(28,29)30)16-32-23(35)20-14-33-34(22(20)31)19-11-9-18(27)10-12-19/h3-4,6,8-12,14,36H,2,5,7,13,15-16,31H2,1H3,(H,32,35) | PDB
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GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor |
Bioorg Med Chem Lett 17: 4737-45 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.066
BindingDB Entry DOI: 10.7270/Q2KD206G |
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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| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at glucocorticoid receptor in human A549 cells transfected with MMTV luciferase reporter gene assessed as inhibition of dexametha... |
Bioorg Med Chem Lett 17: 4737-45 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.066
BindingDB Entry DOI: 10.7270/Q2KD206G |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50423191
(CHEMBL234988)Show SMILES Nc1c(cnn1-c1ccccc1)C(=O)NCC(O)(CC1(CCC1)c1cc(F)ccc1Cl)C(F)(F)F Show InChI InChI=1S/C24H23ClF4N4O2/c25-19-8-7-15(26)11-18(19)22(9-4-10-22)13-23(35,24(27,28)29)14-31-21(34)17-12-32-33(20(17)30)16-5-2-1-3-6-16/h1-3,5-8,11-12,35H,4,9-10,13-14,30H2,(H,31,34) | PDB
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| n/a | n/a | 13.2 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB transrepression assay |
Bioorg Med Chem Lett 17: 4737-45 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.066
BindingDB Entry DOI: 10.7270/Q2KD206G |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50423191
(CHEMBL234988)Show SMILES Nc1c(cnn1-c1ccccc1)C(=O)NCC(O)(CC1(CCC1)c1cc(F)ccc1Cl)C(F)(F)F Show InChI InChI=1S/C24H23ClF4N4O2/c25-19-8-7-15(26)11-18(19)22(9-4-10-22)13-23(35,24(27,28)29)14-31-21(34)17-12-32-33(20(17)30)16-5-2-1-3-6-16/h1-3,5-8,11-12,35H,4,9-10,13-14,30H2,(H,31,34) | PDB
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| n/a | n/a | 13.2 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB transrepression assay |
Bioorg Med Chem Lett 17: 4737-45 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.066
BindingDB Entry DOI: 10.7270/Q2KD206G |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50423193
(CHEMBL235208)Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(CNC(=O)c1cnn(c1N)-c1ccc(F)cc1)C(F)(F)F Show InChI InChI=1S/C24H25F5N4O3/c1-22(2,18-10-15(26)6-9-19(18)36-3)12-23(35,24(27,28)29)13-31-21(34)17-11-32-33(20(17)30)16-7-4-14(25)5-8-16/h4-11,35H,12-13,30H2,1-3H3,(H,31,34) | PDB
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| n/a | n/a | 17.8 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB transrepression assay |
Bioorg Med Chem Lett 17: 4737-45 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.066
BindingDB Entry DOI: 10.7270/Q2KD206G |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50423193
(CHEMBL235208)Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(CNC(=O)c1cnn(c1N)-c1ccc(F)cc1)C(F)(F)F Show InChI InChI=1S/C24H25F5N4O3/c1-22(2,18-10-15(26)6-9-19(18)36-3)12-23(35,24(27,28)29)13-31-21(34)17-11-32-33(20(17)30)16-7-4-14(25)5-8-16/h4-11,35H,12-13,30H2,1-3H3,(H,31,34) | PDB
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| n/a | n/a | 17.8 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB transrepression assay |
Bioorg Med Chem Lett 17: 4737-45 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.066
BindingDB Entry DOI: 10.7270/Q2KD206G |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50423196
(CHEMBL235205)Show SMILES Nc1c(cnn1-c1ccc(F)cc1F)C(=O)NCC(O)(CC1(CCCc2ccccc12)C1CCCC1)C(F)(F)F Show InChI InChI=1S/C29H31F5N4O2/c30-20-11-12-24(23(31)14-20)38-25(35)21(15-37-38)26(39)36-17-28(40,29(32,33)34)16-27(19-8-2-3-9-19)13-5-7-18-6-1-4-10-22(18)27/h1,4,6,10-12,14-15,19,40H,2-3,5,7-9,13,16-17,35H2,(H,36,39) | PDB
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| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor |
Bioorg Med Chem Lett 17: 4737-45 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.066
BindingDB Entry DOI: 10.7270/Q2KD206G |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50423196
(CHEMBL235205)Show SMILES Nc1c(cnn1-c1ccc(F)cc1F)C(=O)NCC(O)(CC1(CCCc2ccccc12)C1CCCC1)C(F)(F)F Show InChI InChI=1S/C29H31F5N4O2/c30-20-11-12-24(23(31)14-20)38-25(35)21(15-37-38)26(39)36-17-28(40,29(32,33)34)16-27(19-8-2-3-9-19)13-5-7-18-6-1-4-10-22(18)27/h1,4,6,10-12,14-15,19,40H,2-3,5,7-9,13,16-17,35H2,(H,36,39) | PDB
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| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor |
Bioorg Med Chem Lett 17: 4737-45 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.066
BindingDB Entry DOI: 10.7270/Q2KD206G |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50423196
(CHEMBL235205)Show SMILES Nc1c(cnn1-c1ccc(F)cc1F)C(=O)NCC(O)(CC1(CCCc2ccccc12)C1CCCC1)C(F)(F)F Show InChI InChI=1S/C29H31F5N4O2/c30-20-11-12-24(23(31)14-20)38-25(35)21(15-37-38)26(39)36-17-28(40,29(32,33)34)16-27(19-8-2-3-9-19)13-5-7-18-6-1-4-10-22(18)27/h1,4,6,10-12,14-15,19,40H,2-3,5,7-9,13,16-17,35H2,(H,36,39) | PDB
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| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB transrepression assay |
Bioorg Med Chem Lett 17: 4737-45 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.066
BindingDB Entry DOI: 10.7270/Q2KD206G |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50423196
(CHEMBL235205)Show SMILES Nc1c(cnn1-c1ccc(F)cc1F)C(=O)NCC(O)(CC1(CCCc2ccccc12)C1CCCC1)C(F)(F)F Show InChI InChI=1S/C29H31F5N4O2/c30-20-11-12-24(23(31)14-20)38-25(35)21(15-37-38)26(39)36-17-28(40,29(32,33)34)16-27(19-8-2-3-9-19)13-5-7-18-6-1-4-10-22(18)27/h1,4,6,10-12,14-15,19,40H,2-3,5,7-9,13,16-17,35H2,(H,36,39) | PDB
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| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB transrepression assay |
Bioorg Med Chem Lett 17: 4737-45 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.066
BindingDB Entry DOI: 10.7270/Q2KD206G |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50423190
(CHEMBL391874)Show SMILES Cc1c(cnn1-c1ccccc1)S(=O)(=O)NCC(O)(CC1(C)CCCc2ccccc12)C(F)(F)F Show InChI InChI=1S/C25H28F3N3O3S/c1-18-22(15-29-31(18)20-11-4-3-5-12-20)35(33,34)30-17-24(32,25(26,27)28)16-23(2)14-8-10-19-9-6-7-13-21(19)23/h3-7,9,11-13,15,30,32H,8,10,14,16-17H2,1-2H3 | PDB
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| n/a | n/a | 30.2 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor |
Bioorg Med Chem Lett 17: 4737-45 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.066
BindingDB Entry DOI: 10.7270/Q2KD206G |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50423190
(CHEMBL391874)Show SMILES Cc1c(cnn1-c1ccccc1)S(=O)(=O)NCC(O)(CC1(C)CCCc2ccccc12)C(F)(F)F Show InChI InChI=1S/C25H28F3N3O3S/c1-18-22(15-29-31(18)20-11-4-3-5-12-20)35(33,34)30-17-24(32,25(26,27)28)16-23(2)14-8-10-19-9-6-7-13-21(19)23/h3-7,9,11-13,15,30,32H,8,10,14,16-17H2,1-2H3 | PDB
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| n/a | n/a | 30.2 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor |
Bioorg Med Chem Lett 17: 4737-45 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.066
BindingDB Entry DOI: 10.7270/Q2KD206G |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50423190
(CHEMBL391874)Show SMILES Cc1c(cnn1-c1ccccc1)S(=O)(=O)NCC(O)(CC1(C)CCCc2ccccc12)C(F)(F)F Show InChI InChI=1S/C25H28F3N3O3S/c1-18-22(15-29-31(18)20-11-4-3-5-12-20)35(33,34)30-17-24(32,25(26,27)28)16-23(2)14-8-10-19-9-6-7-13-21(19)23/h3-7,9,11-13,15,30,32H,8,10,14,16-17H2,1-2H3 | PDB
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| n/a | n/a | 30.2 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor |
Bioorg Med Chem Lett 17: 4737-45 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.066
BindingDB Entry DOI: 10.7270/Q2KD206G |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50423190
(CHEMBL391874)Show SMILES Cc1c(cnn1-c1ccccc1)S(=O)(=O)NCC(O)(CC1(C)CCCc2ccccc12)C(F)(F)F Show InChI InChI=1S/C25H28F3N3O3S/c1-18-22(15-29-31(18)20-11-4-3-5-12-20)35(33,34)30-17-24(32,25(26,27)28)16-23(2)14-8-10-19-9-6-7-13-21(19)23/h3-7,9,11-13,15,30,32H,8,10,14,16-17H2,1-2H3 | PDB
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UniChem
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| n/a | n/a | 30.2 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor |
Bioorg Med Chem Lett 17: 4737-45 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.066
BindingDB Entry DOI: 10.7270/Q2KD206G |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50423197
(CHEMBL236320)Show SMILES CCn1nc(C)c(Br)c1C(=O)NCC(O)(CC1(C)CCCc2ccccc12)C(F)(F)F Show InChI InChI=1S/C22H27BrF3N3O2/c1-4-29-18(17(23)14(2)28-29)19(30)27-13-21(31,22(24,25)26)12-20(3)11-7-9-15-8-5-6-10-16(15)20/h5-6,8,10,31H,4,7,9,11-13H2,1-3H3,(H,27,30) | PDB
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| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity to glucocorticoid receptor |
Bioorg Med Chem Lett 17: 4737-45 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.066
BindingDB Entry DOI: 10.7270/Q2KD206G |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50423189
(CHEMBL392319)Show SMILES Cc1c(cnn1-c1ccccc1)C(=O)NCC(O)(CC1(C)CCCc2ccccc12)C(F)(F)F Show InChI InChI=1S/C26H28F3N3O2/c1-18-21(15-31-32(18)20-11-4-3-5-12-20)23(33)30-17-25(34,26(27,28)29)16-24(2)14-8-10-19-9-6-7-13-22(19)24/h3-7,9,11-13,15,34H,8,10,14,16-17H2,1-2H3,(H,30,33) | PDB
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| n/a | n/a | 49 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB transrepression assay |
Bioorg Med Chem Lett 17: 4737-45 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.066
BindingDB Entry DOI: 10.7270/Q2KD206G |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50423189
(CHEMBL392319)Show SMILES Cc1c(cnn1-c1ccccc1)C(=O)NCC(O)(CC1(C)CCCc2ccccc12)C(F)(F)F Show InChI InChI=1S/C26H28F3N3O2/c1-18-21(15-31-32(18)20-11-4-3-5-12-20)23(33)30-17-25(34,26(27,28)29)16-24(2)14-8-10-19-9-6-7-13-22(19)24/h3-7,9,11-13,15,34H,8,10,14,16-17H2,1-2H3,(H,30,33) | PDB
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| n/a | n/a | 49 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB transrepression assay |
Bioorg Med Chem Lett 17: 4737-45 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.066
BindingDB Entry DOI: 10.7270/Q2KD206G |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50423196
(CHEMBL235205)Show SMILES Nc1c(cnn1-c1ccc(F)cc1F)C(=O)NCC(O)(CC1(CCCc2ccccc12)C1CCCC1)C(F)(F)F Show InChI InChI=1S/C29H31F5N4O2/c30-20-11-12-24(23(31)14-20)38-25(35)21(15-37-38)26(39)36-17-28(40,29(32,33)34)16-27(19-8-2-3-9-19)13-5-7-18-6-1-4-10-22(18)27/h1,4,6,10-12,14-15,19,40H,2-3,5,7-9,13,16-17,35H2,(H,36,39) | PDB
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| n/a | n/a | 275 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at glucocorticoid receptor in human A549 cells transfected with MMTV luciferase reporter gene assessed as inhibition of dexametha... |
Bioorg Med Chem Lett 17: 4737-45 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.066
BindingDB Entry DOI: 10.7270/Q2KD206G |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50423190
(CHEMBL391874)Show SMILES Cc1c(cnn1-c1ccccc1)S(=O)(=O)NCC(O)(CC1(C)CCCc2ccccc12)C(F)(F)F Show InChI InChI=1S/C25H28F3N3O3S/c1-18-22(15-29-31(18)20-11-4-3-5-12-20)35(33,34)30-17-24(32,25(26,27)28)16-23(2)14-8-10-19-9-6-7-13-21(19)23/h3-7,9,11-13,15,30,32H,8,10,14,16-17H2,1-2H3 | PDB
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| n/a | n/a | 309 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at glucocorticoid receptor in human A549 cells transfected with MMTV luciferase reporter gene assessed as inhibition of dexametha... |
Bioorg Med Chem Lett 17: 4737-45 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.066
BindingDB Entry DOI: 10.7270/Q2KD206G |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50423189
(CHEMBL392319)Show SMILES Cc1c(cnn1-c1ccccc1)C(=O)NCC(O)(CC1(C)CCCc2ccccc12)C(F)(F)F Show InChI InChI=1S/C26H28F3N3O2/c1-18-21(15-31-32(18)20-11-4-3-5-12-20)23(33)30-17-25(34,26(27,28)29)16-24(2)14-8-10-19-9-6-7-13-22(19)24/h3-7,9,11-13,15,34H,8,10,14,16-17H2,1-2H3,(H,30,33) | PDB
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UniChem
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| n/a | n/a | 933 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at glucocorticoid receptor in human A549 cells transfected with MMTV luciferase reporter gene assessed as inhibition of dexametha... |
Bioorg Med Chem Lett 17: 4737-45 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.066
BindingDB Entry DOI: 10.7270/Q2KD206G |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50423189
(CHEMBL392319)Show SMILES Cc1c(cnn1-c1ccccc1)C(=O)NCC(O)(CC1(C)CCCc2ccccc12)C(F)(F)F Show InChI InChI=1S/C26H28F3N3O2/c1-18-21(15-31-32(18)20-11-4-3-5-12-20)23(33)30-17-25(34,26(27,28)29)16-24(2)14-8-10-19-9-6-7-13-22(19)24/h3-7,9,11-13,15,34H,8,10,14,16-17H2,1-2H3,(H,30,33) | PDB
KEGG
UniProtKB/SwissProt
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PC cid
PC sid
UniChem
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PubMed
| n/a | n/a | 933 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity at glucocorticoid receptor in human A549 cells transfected with MMTV luciferase reporter gene assessed as inhibition of dexametha... |
Bioorg Med Chem Lett 17: 4737-45 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.066
BindingDB Entry DOI: 10.7270/Q2KD206G |
More data for this
Ligand-Target Pair | |
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