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BDBM50054957 (4aS,4bR,5S,6aS,6bR,8R,9aR)-4b-Fluoro-5-hydroxy-4a,6a-dimethyl-8-propyl-6b-(pyridin-2-ylsulfanyl)-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-7,9-dioxa-pentaleno[2,1-a]phenanthren-2-one::CHEMBL144841

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)Sc1ccccn1

InChI Key: InChIKey=VWMIKRRBVKACCN-KHTMAQAHSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50054957   
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)
BDBM50054957
PNG
((4aS,4bR,5S,6aS,6bR,8R,9aR)-4b-Fluoro-5-hydroxy-4a...)
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)Sc1ccccn1 |c:15,t:11|
Show InChI InChI=1S/C28H34FNO4S/c1-4-7-24-33-22-15-20-19-10-9-17-14-18(31)11-12-25(17,2)27(19,29)21(32)16-26(20,3)28(22,34-24)35-23-8-5-6-13-30-23/h5-6,8,11-14,19-22,24,32H,4,7,9-10,15-16H2,1-3H3/t19?,20?,21-,22+,24+,25-,26-,27-,28-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 12n/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