Found 4 hits Enz. Inhib. hit(s) with Target = 'Glucocorticoid receptor' and Ligand = 'BDBM50338737' 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)) | BDBM50338737
((3R,4S)-5,7-difluoro-6-(1H-indol-7-yl)-2,2,4-trime...)Show SMILES C[C@@H]1[C@@H](OC(=O)Nc2ccccc2)C(C)(C)Nc2cc(F)c(c(F)c12)-c1cccc2cc[nH]c12 |r,wU:2.2,wD:1.0,(20.74,-34.66,;20.74,-36.2,;22.08,-36.98,;23.42,-36.22,;24.75,-36.99,;24.75,-38.53,;26.09,-36.22,;27.42,-37,;27.41,-38.54,;28.74,-39.31,;30.08,-38.54,;30.08,-37,;28.75,-36.23,;22.08,-38.53,;23.62,-38.53,;22.07,-40.07,;20.74,-39.3,;19.41,-38.53,;18.08,-39.3,;16.74,-38.53,;15.41,-39.3,;16.74,-36.99,;18.07,-36.22,;18.07,-34.68,;19.41,-36.98,;15.41,-36.22,;15.42,-34.68,;14.08,-33.91,;12.75,-34.68,;12.76,-36.23,;11.63,-37.27,;12.26,-38.66,;13.78,-38.49,;14.09,-36.99,)| Show InChI InChI=1S/C27H25F2N3O2/c1-15-21-20(32-27(2,3)25(15)34-26(33)31-17-9-5-4-6-10-17)14-19(28)22(23(21)29)18-11-7-8-16-12-13-30-24(16)18/h4-15,25,30,32H,1-3H3,(H,31,33)/t15-,25+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 6.20 | 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)) | BDBM50338737
((3R,4S)-5,7-difluoro-6-(1H-indol-7-yl)-2,2,4-trime...)Show SMILES C[C@@H]1[C@@H](OC(=O)Nc2ccccc2)C(C)(C)Nc2cc(F)c(c(F)c12)-c1cccc2cc[nH]c12 |r,wU:2.2,wD:1.0,(20.74,-34.66,;20.74,-36.2,;22.08,-36.98,;23.42,-36.22,;24.75,-36.99,;24.75,-38.53,;26.09,-36.22,;27.42,-37,;27.41,-38.54,;28.74,-39.31,;30.08,-38.54,;30.08,-37,;28.75,-36.23,;22.08,-38.53,;23.62,-38.53,;22.07,-40.07,;20.74,-39.3,;19.41,-38.53,;18.08,-39.3,;16.74,-38.53,;15.41,-39.3,;16.74,-36.99,;18.07,-36.22,;18.07,-34.68,;19.41,-36.98,;15.41,-36.22,;15.42,-34.68,;14.08,-33.91,;12.75,-34.68,;12.76,-36.23,;11.63,-37.27,;12.26,-38.66,;13.78,-38.49,;14.09,-36.99,)| Show InChI InChI=1S/C27H25F2N3O2/c1-15-21-20(32-27(2,3)25(15)34-26(33)31-17-9-5-4-6-10-17)14-19(28)22(23(21)29)18-11-7-8-16-12-13-30-24(16)18/h4-15,25,30,32H,1-3H3,(H,31,33)/t15-,25+/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 | 40 | 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)) | BDBM50338737
((3R,4S)-5,7-difluoro-6-(1H-indol-7-yl)-2,2,4-trime...)Show SMILES C[C@@H]1[C@@H](OC(=O)Nc2ccccc2)C(C)(C)Nc2cc(F)c(c(F)c12)-c1cccc2cc[nH]c12 |r,wU:2.2,wD:1.0,(20.74,-34.66,;20.74,-36.2,;22.08,-36.98,;23.42,-36.22,;24.75,-36.99,;24.75,-38.53,;26.09,-36.22,;27.42,-37,;27.41,-38.54,;28.74,-39.31,;30.08,-38.54,;30.08,-37,;28.75,-36.23,;22.08,-38.53,;23.62,-38.53,;22.07,-40.07,;20.74,-39.3,;19.41,-38.53,;18.08,-39.3,;16.74,-38.53,;15.41,-39.3,;16.74,-36.99,;18.07,-36.22,;18.07,-34.68,;19.41,-36.98,;15.41,-36.22,;15.42,-34.68,;14.08,-33.91,;12.75,-34.68,;12.76,-36.23,;11.63,-37.27,;12.26,-38.66,;13.78,-38.49,;14.09,-36.99,)| Show InChI InChI=1S/C27H25F2N3O2/c1-15-21-20(32-27(2,3)25(15)34-26(33)31-17-9-5-4-6-10-17)14-19(28)22(23(21)29)18-11-7-8-16-12-13-30-24(16)18/h4-15,25,30,32H,1-3H3,(H,31,33)/t15-,25+/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 | >1.00E+3 | 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)) | BDBM50338737
((3R,4S)-5,7-difluoro-6-(1H-indol-7-yl)-2,2,4-trime...)Show SMILES C[C@@H]1[C@@H](OC(=O)Nc2ccccc2)C(C)(C)Nc2cc(F)c(c(F)c12)-c1cccc2cc[nH]c12 |r,wU:2.2,wD:1.0,(20.74,-34.66,;20.74,-36.2,;22.08,-36.98,;23.42,-36.22,;24.75,-36.99,;24.75,-38.53,;26.09,-36.22,;27.42,-37,;27.41,-38.54,;28.74,-39.31,;30.08,-38.54,;30.08,-37,;28.75,-36.23,;22.08,-38.53,;23.62,-38.53,;22.07,-40.07,;20.74,-39.3,;19.41,-38.53,;18.08,-39.3,;16.74,-38.53,;15.41,-39.3,;16.74,-36.99,;18.07,-36.22,;18.07,-34.68,;19.41,-36.98,;15.41,-36.22,;15.42,-34.68,;14.08,-33.91,;12.75,-34.68,;12.76,-36.23,;11.63,-37.27,;12.26,-38.66,;13.78,-38.49,;14.09,-36.99,)| Show InChI InChI=1S/C27H25F2N3O2/c1-15-21-20(32-27(2,3)25(15)34-26(33)31-17-9-5-4-6-10-17)14-19(28)22(23(21)29)18-11-7-8-16-12-13-30-24(16)18/h4-15,25,30,32H,1-3H3,(H,31,33)/t15-,25+/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 | 105 | 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 | |