Found 2 hits Enz. Inhib. hit(s) with Target = 'Glucocorticoid receptor' and Ligand = 'BDBM50402478' 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)) | BDBM50402478
(CHEMBL2204063)Show SMILES Cn1c(=O)[nH]c([C@@H]2CC[C@@H](CC2)c2ccccc2)c(Cc2cccc(c2)C(F)(F)F)c1=O |r,wU:6.5,9.12,(3.45,-26.67,;4.78,-27.44,;4.78,-28.99,;3.43,-29.78,;6.11,-29.75,;7.45,-28.98,;8.77,-29.76,;8.77,-31.3,;10.08,-32.07,;11.42,-31.31,;11.42,-29.77,;10.09,-28.99,;12.74,-32.09,;14.07,-31.33,;15.39,-32.1,;15.39,-33.65,;14.05,-34.41,;12.74,-33.63,;7.45,-27.43,;8.78,-26.65,;8.78,-25.08,;7.45,-24.3,;7.45,-22.76,;8.8,-22,;10.14,-22.79,;10.14,-24.33,;11.48,-22.02,;12.81,-22.79,;11.48,-20.48,;12.8,-21.24,;6.13,-26.66,;6.13,-25.13,)| Show InChI InChI=1S/C25H25F3N2O2/c1-30-23(31)21(15-16-6-5-9-20(14-16)25(26,27)28)22(29-24(30)32)19-12-10-18(11-13-19)17-7-3-2-4-8-17/h2-9,14,18-19H,10-13,15H2,1H3,(H,29,32)/t18-,19+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Corcept Therapeutics
Curated by ChEMBL
| Assay Description Displacement of [3H]dexamethasone from human recombinant glucocorticoid receptor expressed in baculovirus after 18 hrs by scintillation counting anal... |
Bioorg Med Chem Lett 22: 7376-80 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.074 BindingDB Entry DOI: 10.7270/Q26111GW |
More data for this Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50402478
(CHEMBL2204063)Show SMILES Cn1c(=O)[nH]c([C@@H]2CC[C@@H](CC2)c2ccccc2)c(Cc2cccc(c2)C(F)(F)F)c1=O |r,wU:6.5,9.12,(3.45,-26.67,;4.78,-27.44,;4.78,-28.99,;3.43,-29.78,;6.11,-29.75,;7.45,-28.98,;8.77,-29.76,;8.77,-31.3,;10.08,-32.07,;11.42,-31.31,;11.42,-29.77,;10.09,-28.99,;12.74,-32.09,;14.07,-31.33,;15.39,-32.1,;15.39,-33.65,;14.05,-34.41,;12.74,-33.63,;7.45,-27.43,;8.78,-26.65,;8.78,-25.08,;7.45,-24.3,;7.45,-22.76,;8.8,-22,;10.14,-22.79,;10.14,-24.33,;11.48,-22.02,;12.81,-22.79,;11.48,-20.48,;12.8,-21.24,;6.13,-26.66,;6.13,-25.13,)| Show InChI InChI=1S/C25H25F3N2O2/c1-30-23(31)21(15-16-6-5-9-20(14-16)25(26,27)28)22(29-24(30)32)19-12-10-18(11-13-19)17-7-3-2-4-8-17/h2-9,14,18-19H,10-13,15H2,1H3,(H,29,32)/t18-,19+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 162 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Corcept Therapeutics
Curated by ChEMBL
| Assay Description Antagonist activity at glucocorticoid receptor in human SW1353 cells assessed as inhibition of dexamethasone-induced luciferase expression after 16 h... |
Bioorg Med Chem Lett 22: 7376-80 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.074 BindingDB Entry DOI: 10.7270/Q26111GW |
More data for this Ligand-Target Pair | |