BindingDB logo
myBDB logout

BDBM50054959 (4aS,4bR,5S,6aS,6bR,9aR)-4b-Fluoro-5-hydroxy-4a,6a,8,8-tetramethyl-6b-methylsulfanyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-7,9-dioxa-pentaleno[2,1-a]phenanthren-2-one::CHEMBL357651

SMILES: CS[C@@]12OC(C)(C)O[C@@H]1CC1C3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]21C

InChI Key: InChIKey=GLOCMASIJFEJLP-JEZNCBQNSA-N

Data: 1 IC50

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 = 50054959   
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)		BDBM50054959
PNG
((4aS,4bR,5S,6aS,6bR,9aR)-4b-Fluoro-5-hydroxy-4a,6a...)
Show SMILES CS[C@@]12OC(C)(C)O[C@@H]1CC1C3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]21C |c:19,t:15|
Show InChI InChI=1S/C23H31FO4S/c1-19(2)27-18-11-16-15-7-6-13-10-14(25)8-9-20(13,3)22(15,24)17(26)12-21(16,4)23(18,28-19)29-5/h8-10,15-18,26H,6-7,11-12H2,1-5H3/t15?,16?,17-,18+,20-,21-,22-,23-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.60n/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