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BDBM19225 (R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4aH,5H,6H,7H-cyclopenta[f]indazol-5-yl](1-benzothiophen-3-yl)methanol::cyclopenta[f]indazole, 18

SMILES: [H][C@@]1(CCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@@H](O)c1csc2ccccc12

InChI Key: InChIKey=FJQOIKVDJJOXNL-RZFJZAQRSA-N

Data: 1 IC50  1 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 19225   
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))
BDBM19225
PNG
((R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4...)
Show SMILES [H][C@@]1(CCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@@H](O)c1csc2ccccc12 |r,t:4|
Show InChI InChI=1S/C26H23FN2OS/c1-26-13-16-14-28-29(19-9-7-18(27)8-10-19)23(16)12-17(26)6-11-22(26)25(30)21-15-31-24-5-3-2-4-20(21)24/h2-5,7-10,12,14-15,22,25,30H,6,11,13H2,1H3/t22-,25+,26+/m1/s1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Patents


Similars

Article
PubMed
n/an/a 2.10n/a 5n/an/a7.54



Merck Research Laboratories



Assay Description
The IC50s were determined by incubating the receptors with radiolabeled dexamethasone in the presence of full log scale concentrations (10-11 M to 10...


Bioorg Med Chem Lett 17: 3354-61 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.103
BindingDB Entry DOI: 10.7270/Q2542KVJ
More data for this
Ligand-Target Pair