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BDBM50167817 1-(4-fluorophenyl)-4a-methyl-4',5'-diphenyl-(4'R,4aS,5'R)-spiro[4,4a,5,6,7,8-hexahydro-1H-benzo[f]indazole-5,2'-(dihydro[1,3]dioxolane)]::CHEMBL193798

SMILES: C[C@]12Cc3cnn(c3C=C1CCCC21O[C@@H]([C@H](O1)c1ccccc1)c1ccccc1)-c1ccc(F)cc1

InChI Key: InChIKey=QBIJYIWFYANERG-OLUZHXLYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50167817   
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))
BDBM50167817
PNG
(1-(4-fluorophenyl)-4a-methyl-4',5'-diphenyl-(4'R,4...)
Show SMILES C[C@]12Cc3cnn(c3C=C1CCCC21O[C@@H]([C@H](O1)c1ccccc1)c1ccccc1)-c1ccc(F)cc1 |c:9|
Show InChI InChI=1S/C32H29FN2O2/c1-31-20-24-21-34-35(27-16-14-26(33)15-17-27)28(24)19-25(31)13-8-18-32(31)36-29(22-9-4-2-5-10-22)30(37-32)23-11-6-3-7-12-23/h2-7,9-12,14-17,19,21,29-30H,8,13,18,20H2,1H3/t29-,30-,31+/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 10n/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