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BDBM50054960 (4aS,4bR,5S,6aS,6bR,8R,9aR,12S)-4b,12-Difluoro-5-hydroxy-4a,6a-dimethyl-6b-methylsulfanyl-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::CHEMBL342304

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)SC

InChI Key: InChIKey=BWYBHULDGDXZAO-AUXVOCDASA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50054960   
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)		BDBM50054960
PNG
((4aS,4bR,5S,6aS,6bR,8R,9aR,12S)-4b,12-Difluoro-5-h...)
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)SC |c:16,t:12|
Show InChI InChI=1S/C24H32F2O4S/c1-5-6-20-29-19-11-14-15-10-17(25)16-9-13(27)7-8-21(16,2)23(15,26)18(28)12-22(14,3)24(19,30-20)31-4/h7-9,14-15,17-20,28H,5-6,10-12H2,1-4H3/t14?,15?,17-,18-,19+,20+,21-,22-,23-,24-/m0/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2.40n/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