Found 5 hits Enz. Inhib. hit(s) with Target = 'Glucocorticoid receptor' and Ligand = 'BDBM50338735' 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)) | BDBM50338735
((+/-)-(3R,4S)-6-(3-chloro-1H-indol-7-yl)-5,7-diflu...)Show SMILES CC(C)NC(=O)O[C@@H]1[C@@H](C)c2c(NC1(C)C)cc(F)c(c2F)-c1cccc2c(Cl)c[nH]c12 |r,wU:7.6,wD:8.8,(8.71,-22.74,;7.37,-23.51,;7.37,-25.05,;6.04,-22.73,;4.7,-23.5,;4.7,-25.04,;3.37,-22.73,;2.04,-23.49,;.7,-22.71,;.7,-21.17,;-.64,-23.49,;-.64,-25.04,;.69,-25.81,;2.03,-25.04,;3.57,-25.04,;2.02,-26.58,;-1.97,-25.81,;-3.3,-25.04,;-4.64,-25.81,;-3.3,-23.5,;-1.97,-22.73,;-1.98,-21.19,;-4.63,-22.73,;-4.63,-21.19,;-5.96,-20.42,;-7.3,-21.19,;-7.29,-22.74,;-8.42,-23.78,;-9.93,-23.47,;-7.78,-25.17,;-6.26,-25,;-5.96,-23.5,)| Show InChI InChI=1S/C24H26ClF2N3O2/c1-11(2)29-23(31)32-22-12(3)18-17(30-24(22,4)5)9-16(26)19(20(18)27)14-8-6-7-13-15(25)10-28-21(13)14/h6-12,22,28,30H,1-5H3,(H,29,31)/t12-,22+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 7.80 | 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)) | BDBM50338735
((+/-)-(3R,4S)-6-(3-chloro-1H-indol-7-yl)-5,7-diflu...)Show SMILES CC(C)NC(=O)O[C@@H]1[C@@H](C)c2c(NC1(C)C)cc(F)c(c2F)-c1cccc2c(Cl)c[nH]c12 |r,wU:7.6,wD:8.8,(8.71,-22.74,;7.37,-23.51,;7.37,-25.05,;6.04,-22.73,;4.7,-23.5,;4.7,-25.04,;3.37,-22.73,;2.04,-23.49,;.7,-22.71,;.7,-21.17,;-.64,-23.49,;-.64,-25.04,;.69,-25.81,;2.03,-25.04,;3.57,-25.04,;2.02,-26.58,;-1.97,-25.81,;-3.3,-25.04,;-4.64,-25.81,;-3.3,-23.5,;-1.97,-22.73,;-1.98,-21.19,;-4.63,-22.73,;-4.63,-21.19,;-5.96,-20.42,;-7.3,-21.19,;-7.29,-22.74,;-8.42,-23.78,;-9.93,-23.47,;-7.78,-25.17,;-6.26,-25,;-5.96,-23.5,)| Show InChI InChI=1S/C24H26ClF2N3O2/c1-11(2)29-23(31)32-22-12(3)18-17(30-24(22,4)5)9-16(26)19(20(18)27)14-8-6-7-13-15(25)10-28-21(13)14/h6-12,22,28,30H,1-5H3,(H,29,31)/t12-,22+/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 | 17 | 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)) | BDBM50338735
((+/-)-(3R,4S)-6-(3-chloro-1H-indol-7-yl)-5,7-diflu...)Show SMILES CC(C)NC(=O)O[C@@H]1[C@@H](C)c2c(NC1(C)C)cc(F)c(c2F)-c1cccc2c(Cl)c[nH]c12 |r,wU:7.6,wD:8.8,(8.71,-22.74,;7.37,-23.51,;7.37,-25.05,;6.04,-22.73,;4.7,-23.5,;4.7,-25.04,;3.37,-22.73,;2.04,-23.49,;.7,-22.71,;.7,-21.17,;-.64,-23.49,;-.64,-25.04,;.69,-25.81,;2.03,-25.04,;3.57,-25.04,;2.02,-26.58,;-1.97,-25.81,;-3.3,-25.04,;-4.64,-25.81,;-3.3,-23.5,;-1.97,-22.73,;-1.98,-21.19,;-4.63,-22.73,;-4.63,-21.19,;-5.96,-20.42,;-7.3,-21.19,;-7.29,-22.74,;-8.42,-23.78,;-9.93,-23.47,;-7.78,-25.17,;-6.26,-25,;-5.96,-23.5,)| Show InChI InChI=1S/C24H26ClF2N3O2/c1-11(2)29-23(31)32-22-12(3)18-17(30-24(22,4)5)9-16(26)19(20(18)27)14-8-6-7-13-15(25)10-28-21(13)14/h6-12,22,28,30H,1-5H3,(H,29,31)/t12-,22+/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 | 45 | 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)) | BDBM50338735
((+/-)-(3R,4S)-6-(3-chloro-1H-indol-7-yl)-5,7-diflu...)Show SMILES CC(C)NC(=O)O[C@@H]1[C@@H](C)c2c(NC1(C)C)cc(F)c(c2F)-c1cccc2c(Cl)c[nH]c12 |r,wU:7.6,wD:8.8,(8.71,-22.74,;7.37,-23.51,;7.37,-25.05,;6.04,-22.73,;4.7,-23.5,;4.7,-25.04,;3.37,-22.73,;2.04,-23.49,;.7,-22.71,;.7,-21.17,;-.64,-23.49,;-.64,-25.04,;.69,-25.81,;2.03,-25.04,;3.57,-25.04,;2.02,-26.58,;-1.97,-25.81,;-3.3,-25.04,;-4.64,-25.81,;-3.3,-23.5,;-1.97,-22.73,;-1.98,-21.19,;-4.63,-22.73,;-4.63,-21.19,;-5.96,-20.42,;-7.3,-21.19,;-7.29,-22.74,;-8.42,-23.78,;-9.93,-23.47,;-7.78,-25.17,;-6.26,-25,;-5.96,-23.5,)| Show InChI InChI=1S/C24H26ClF2N3O2/c1-11(2)29-23(31)32-22-12(3)18-17(30-24(22,4)5)9-16(26)19(20(18)27)14-8-6-7-13-15(25)10-28-21(13)14/h6-12,22,28,30H,1-5H3,(H,29,31)/t12-,22+/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 | 89 | 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 | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50338735
((+/-)-(3R,4S)-6-(3-chloro-1H-indol-7-yl)-5,7-diflu...)Show SMILES CC(C)NC(=O)O[C@@H]1[C@@H](C)c2c(NC1(C)C)cc(F)c(c2F)-c1cccc2c(Cl)c[nH]c12 |r,wU:7.6,wD:8.8,(8.71,-22.74,;7.37,-23.51,;7.37,-25.05,;6.04,-22.73,;4.7,-23.5,;4.7,-25.04,;3.37,-22.73,;2.04,-23.49,;.7,-22.71,;.7,-21.17,;-.64,-23.49,;-.64,-25.04,;.69,-25.81,;2.03,-25.04,;3.57,-25.04,;2.02,-26.58,;-1.97,-25.81,;-3.3,-25.04,;-4.64,-25.81,;-3.3,-23.5,;-1.97,-22.73,;-1.98,-21.19,;-4.63,-22.73,;-4.63,-21.19,;-5.96,-20.42,;-7.3,-21.19,;-7.29,-22.74,;-8.42,-23.78,;-9.93,-23.47,;-7.78,-25.17,;-6.26,-25,;-5.96,-23.5,)| Show InChI InChI=1S/C24H26ClF2N3O2/c1-11(2)29-23(31)32-22-12(3)18-17(30-24(22,4)5)9-16(26)19(20(18)27)14-8-6-7-13-15(25)10-28-21(13)14/h6-12,22,28,30H,1-5H3,(H,29,31)/t12-,22+/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 | 361 | 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 | |