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BDBM50362466 CHEMBL1940548

SMILES: Cc1ccnc(SCC(=O)[C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]23C)n1

InChI Key: InChIKey=CRPUXBKNGRLLDG-WUJGQTMONA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50362466   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50362466
PNG
(CHEMBL1940548)
Show SMILES Cc1ccnc(SCC(=O)[C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]23C)n1
Show InChI InChI=1/C26H32N2O4S/c1-15-8-11-27-23(28-15)33-14-21(31)26(32)10-7-19-18-5-4-16-12-17(29)6-9-24(16,2)22(18)20(30)13-25(19,26)3/h6,8-9,11-12,18-20,22,30,32H,4-5,7,10,13-14H2,1-3H3/t18-,19-,20-,22+,24-,25-,26-/s2
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 11.4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptor in human H292 cells assessed as inhibition of TNF-stimulated IL-8 production


Bioorg Med Chem Lett 22: 1086-90 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.120
BindingDB Entry DOI: 10.7270/Q2JH3MNV
More data for this
Ligand-Target Pair