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BDBM50054964 (4aS,4bR,5S,6aS,6bR,8R,9aR,12S)-4b,12-Difluoro-6b-fluoromethylsulfanyl-5-hydroxy-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::CHEMBL144319

SMILES: CCC[C@@H]1O[C@@H]2CC3C4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)SCF

InChI Key: InChIKey=FNTOZAIVEXRQPK-AUXVOCDASA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50054964   
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)
BDBM50054964
PNG
((4aS,4bR,5S,6aS,6bR,8R,9aR,12S)-4b,12-Difluoro-6b-...)
Show SMILES CCC[C@@H]1O[C@@H]2CC3C4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)SCF |c:16,t:12|
Show InChI InChI=1S/C24H31F3O4S/c1-4-5-20-30-19-10-14-15-9-17(26)16-8-13(28)6-7-21(16,2)23(15,27)18(29)11-22(14,3)24(19,31-20)32-12-25/h6-8,14-15,17-20,29H,4-5,9-12H2,1-3H3/t14?,15?,17-,18-,19+,20+,21-,22-,23-,24-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.20n/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