Found 5 hits Enz. Inhib. hit(s) with Target = 'Glucocorticoid receptor' and Ligand = 'BDBM50338741' 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)) | BDBM50338741
((3R,4S)-6-(3-chloro-1H-indol-7-yl)-5,7-difluoro-2,...)Show SMILES COc1ccc(NC(=O)O[C@@H]2[C@@H](C)c3c(F)c(c(F)cc3NC2(C)C)-c2cccc3c(Cl)c[nH]c23)cc1Cl |r,wU:10.9,wD:11.11,(36.62,-.13,;35.28,-.9,;33.95,-.12,;32.61,-.89,;31.28,-.12,;31.29,1.42,;29.96,2.19,;28.62,1.43,;28.62,-.11,;27.29,2.2,;25.95,1.43,;24.61,2.21,;24.61,3.75,;23.28,1.44,;21.95,2.2,;21.94,3.74,;20.62,1.43,;20.61,-.11,;19.28,-.88,;21.95,-.88,;23.28,-.11,;24.61,-.88,;25.95,-.11,;27.49,-.11,;25.94,-1.65,;19.28,2.2,;19.29,3.74,;17.96,4.51,;16.62,3.74,;16.63,2.18,;15.5,1.15,;13.99,1.46,;16.13,-.24,;17.66,-.07,;17.96,1.43,;32.62,2.19,;33.95,1.42,;35.28,2.19,)| Show InChI InChI=1S/C28H25Cl2F2N3O3/c1-13-22-20(11-19(31)23(24(22)32)16-7-5-6-15-18(30)12-33-25(15)16)35-28(2,3)26(13)38-27(36)34-14-8-9-21(37-4)17(29)10-14/h5-13,26,33,35H,1-4H3,(H,34,36)/t13-,26+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 6.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals
Curated by ChEMBL
| Assay Description Displacement of radiolabeled dexamethasone from GR |
Bioorg Med Chem Lett 21: 1658-62 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.106 BindingDB Entry DOI: 10.7270/Q2VQ32Z4 |
More data for this Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50338741
((3R,4S)-6-(3-chloro-1H-indol-7-yl)-5,7-difluoro-2,...)Show SMILES COc1ccc(NC(=O)O[C@@H]2[C@@H](C)c3c(F)c(c(F)cc3NC2(C)C)-c2cccc3c(Cl)c[nH]c23)cc1Cl |r,wU:10.9,wD:11.11,(36.62,-.13,;35.28,-.9,;33.95,-.12,;32.61,-.89,;31.28,-.12,;31.29,1.42,;29.96,2.19,;28.62,1.43,;28.62,-.11,;27.29,2.2,;25.95,1.43,;24.61,2.21,;24.61,3.75,;23.28,1.44,;21.95,2.2,;21.94,3.74,;20.62,1.43,;20.61,-.11,;19.28,-.88,;21.95,-.88,;23.28,-.11,;24.61,-.88,;25.95,-.11,;27.49,-.11,;25.94,-1.65,;19.28,2.2,;19.29,3.74,;17.96,4.51,;16.62,3.74,;16.63,2.18,;15.5,1.15,;13.99,1.46,;16.13,-.24,;17.66,-.07,;17.96,1.43,;32.62,2.19,;33.95,1.42,;35.28,2.19,)| Show InChI InChI=1S/C28H25Cl2F2N3O3/c1-13-22-20(11-19(31)23(24(22)32)16-7-5-6-15-18(30)12-33-25(15)16)35-28(2,3)26(13)38-27(36)34-14-8-9-21(37-4)17(29)10-14/h5-13,26,33,35H,1-4H3,(H,34,36)/t13-,26+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals
Curated by ChEMBL
| Assay Description Transrepression activity at GR expressed in IL-1beta- and TNFalpha-stimulated HepG2 cells assessed as inhibition of NFKB- or AP-1 mediated E-selectin... |
Bioorg Med Chem Lett 21: 1658-62 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.106 BindingDB Entry DOI: 10.7270/Q2VQ32Z4 |
More data for this Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50338741
((3R,4S)-6-(3-chloro-1H-indol-7-yl)-5,7-difluoro-2,...)Show SMILES COc1ccc(NC(=O)O[C@@H]2[C@@H](C)c3c(F)c(c(F)cc3NC2(C)C)-c2cccc3c(Cl)c[nH]c23)cc1Cl |r,wU:10.9,wD:11.11,(36.62,-.13,;35.28,-.9,;33.95,-.12,;32.61,-.89,;31.28,-.12,;31.29,1.42,;29.96,2.19,;28.62,1.43,;28.62,-.11,;27.29,2.2,;25.95,1.43,;24.61,2.21,;24.61,3.75,;23.28,1.44,;21.95,2.2,;21.94,3.74,;20.62,1.43,;20.61,-.11,;19.28,-.88,;21.95,-.88,;23.28,-.11,;24.61,-.88,;25.95,-.11,;27.49,-.11,;25.94,-1.65,;19.28,2.2,;19.29,3.74,;17.96,4.51,;16.62,3.74,;16.63,2.18,;15.5,1.15,;13.99,1.46,;16.13,-.24,;17.66,-.07,;17.96,1.43,;32.62,2.19,;33.95,1.42,;35.28,2.19,)| Show InChI InChI=1S/C28H25Cl2F2N3O3/c1-13-22-20(11-19(31)23(24(22)32)16-7-5-6-15-18(30)12-33-25(15)16)35-28(2,3)26(13)38-27(36)34-14-8-9-21(37-4)17(29)10-14/h5-13,26,33,35H,1-4H3,(H,34,36)/t13-,26+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals
Curated by ChEMBL
| Assay Description Transrepression activity at GR expressed in NHDF cells assessed as IL-1beta-mediated IL-6 transcription by ELISA |
Bioorg Med Chem Lett 21: 1658-62 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.106 BindingDB Entry DOI: 10.7270/Q2VQ32Z4 |
More data for this Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50338741
((3R,4S)-6-(3-chloro-1H-indol-7-yl)-5,7-difluoro-2,...)Show SMILES COc1ccc(NC(=O)O[C@@H]2[C@@H](C)c3c(F)c(c(F)cc3NC2(C)C)-c2cccc3c(Cl)c[nH]c23)cc1Cl |r,wU:10.9,wD:11.11,(36.62,-.13,;35.28,-.9,;33.95,-.12,;32.61,-.89,;31.28,-.12,;31.29,1.42,;29.96,2.19,;28.62,1.43,;28.62,-.11,;27.29,2.2,;25.95,1.43,;24.61,2.21,;24.61,3.75,;23.28,1.44,;21.95,2.2,;21.94,3.74,;20.62,1.43,;20.61,-.11,;19.28,-.88,;21.95,-.88,;23.28,-.11,;24.61,-.88,;25.95,-.11,;27.49,-.11,;25.94,-1.65,;19.28,2.2,;19.29,3.74,;17.96,4.51,;16.62,3.74,;16.63,2.18,;15.5,1.15,;13.99,1.46,;16.13,-.24,;17.66,-.07,;17.96,1.43,;32.62,2.19,;33.95,1.42,;35.28,2.19,)| Show InChI InChI=1S/C28H25Cl2F2N3O3/c1-13-22-20(11-19(31)23(24(22)32)16-7-5-6-15-18(30)12-33-25(15)16)35-28(2,3)26(13)38-27(36)34-14-8-9-21(37-4)17(29)10-14/h5-13,26,33,35H,1-4H3,(H,34,36)/t13-,26+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 283 | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals
Curated by ChEMBL
| Assay Description Agonist activity at GR expressed in rat H4IIEC3 cells assessed as induction of PEPCK transactivation by luciferase reporter gene assay |
Bioorg Med Chem Lett 21: 1658-62 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.106 BindingDB Entry DOI: 10.7270/Q2VQ32Z4 |
More data for this Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50338741
((3R,4S)-6-(3-chloro-1H-indol-7-yl)-5,7-difluoro-2,...)Show SMILES COc1ccc(NC(=O)O[C@@H]2[C@@H](C)c3c(F)c(c(F)cc3NC2(C)C)-c2cccc3c(Cl)c[nH]c23)cc1Cl |r,wU:10.9,wD:11.11,(36.62,-.13,;35.28,-.9,;33.95,-.12,;32.61,-.89,;31.28,-.12,;31.29,1.42,;29.96,2.19,;28.62,1.43,;28.62,-.11,;27.29,2.2,;25.95,1.43,;24.61,2.21,;24.61,3.75,;23.28,1.44,;21.95,2.2,;21.94,3.74,;20.62,1.43,;20.61,-.11,;19.28,-.88,;21.95,-.88,;23.28,-.11,;24.61,-.88,;25.95,-.11,;27.49,-.11,;25.94,-1.65,;19.28,2.2,;19.29,3.74,;17.96,4.51,;16.62,3.74,;16.63,2.18,;15.5,1.15,;13.99,1.46,;16.13,-.24,;17.66,-.07,;17.96,1.43,;32.62,2.19,;33.95,1.42,;35.28,2.19,)| Show InChI InChI=1S/C28H25Cl2F2N3O3/c1-13-22-20(11-19(31)23(24(22)32)16-7-5-6-15-18(30)12-33-25(15)16)35-28(2,3)26(13)38-27(36)34-14-8-9-21(37-4)17(29)10-14/h5-13,26,33,35H,1-4H3,(H,34,36)/t13-,26+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 5.80 | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals
Curated by ChEMBL
| Assay Description Agonist activity at GR expressed in african green monkey CV1 cells transfected with luciferase gene linked to MMTV promoter assessed as induction of ... |
Bioorg Med Chem Lett 21: 1658-62 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.106 BindingDB Entry DOI: 10.7270/Q2VQ32Z4 |
More data for this Ligand-Target Pair | |