BDBM50054961 (4aS,4bR,5S,6aS,6bR,9aR,12S)-4b,12-Difluoro-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::CHEMBL144551

SMILES: CS[C@@]12OC(C)(C)O[C@@H]1CC1C3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]21C

InChI Key: InChIKey=CUNTZNNJKRZTOG-YQPSCPDZSA-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 = 50054961   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Glucocorticoid (RAT)	BDBM50054961 ((4aS,4bR,5S,6aS,6bR,9aR,12S)-4b,12-Difluoro-5-hydr...) Show SMILES CS[C@@]12OC(C)(C)O[C@@H]1CC1C3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]21C |c:20,t:16| Show InChI InChI=1S/C23H30F2O4S/c1-19(2)28-18-10-13-14-9-16(24)15-8-12(26)6-7-20(15,3)22(14,25)17(27)11-21(13,4)23(18,29-19)30-5/h6-8,13-14,16-18,27H,9-11H2,1-5H3/t13?,14?,16-,17-,18+,20-,21-,22-,23-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/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
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