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BDBM50167806 4',5'-diethyl-1-(4-fluorophenyl)-4a-methyl-(4'R,4aS,5'R)-spiro[1,4,4a,5,6,7-hexahydrocyclopenta[f]indazole-5,2'-(dihydro[1,3]dioxolane)]::CHEMBL370194

SMILES: CC[C@H]1OC2(CCC3=Cc4c(C[C@]23C)cnn4-c2ccc(F)cc2)O[C@@H]1CC

InChI Key: InChIKey=IYDIHSIXQJYISI-VSKRKVRLSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50167806   
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))
BDBM50167806
PNG
(4',5'-diethyl-1-(4-fluorophenyl)-4a-methyl-(4'R,4a...)
Show SMILES CC[C@H]1OC2(CCC3=Cc4c(C[C@]23C)cnn4-c2ccc(F)cc2)O[C@@H]1CC |t:7|
Show InChI InChI=1S/C23H27FN2O2/c1-4-20-21(5-2)28-23(27-20)11-10-16-12-19-15(13-22(16,23)3)14-25-26(19)18-8-6-17(24)7-9-18/h6-9,12,14,20-21H,4-5,10-11,13H2,1-3H3/t20-,21-,22+/m1/s1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 6.60n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human glucocorticoid receptor alpha isoform


Bioorg Med Chem Lett 15: 2926-31 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.027
BindingDB Entry DOI: 10.7270/Q2X34X0Q
More data for this
Ligand-Target Pair