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BDBM50054967 (4aS,4bR,5S,6aS,6bR,8R,9aR)-4b-Fluoro-5-hydroxy-6b-isopropylsulfanyl-4a,6a-dimethyl-8-propyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-7,9-dioxa-pentaleno[2,1-a]phenanthren-2-one::CHEMBL146781

SMILES: CCC[C@@H]1O[C@@H]2CC3C4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)SC(C)C

InChI Key: InChIKey=DUHMEXGGVGTKKD-NFRRBDOJSA-N

Data: 1 IC50

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50054967   
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


(RAT)
BDBM50054967
PNG
((4aS,4bR,5S,6aS,6bR,8R,9aR)-4b-Fluoro-5-hydroxy-6b...)
Show SMILES CCC[C@@H]1O[C@@H]2CC3C4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)SC(C)C |c:15,t:11|
Show InChI InChI=1S/C26H37FO4S/c1-6-7-22-30-21-13-19-18-9-8-16-12-17(28)10-11-23(16,4)25(18,27)20(29)14-24(19,5)26(21,31-22)32-15(2)3/h10-12,15,18-22,29H,6-9,13-14H2,1-5H3/t18?,19?,20-,21+,22+,23-,24-,25-,26-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.5n/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Steroid binding against the rat thymus glucocorticoid receptor


J Med Chem 39: 4888-96 (1997)


Article DOI: 10.1021/jm9604639
BindingDB Entry DOI: 10.7270/Q23779C8
More data for this
Ligand-Target Pair