BDBM50294142 CHEMBL540184::N-(4-(5-(5-(5-(5-(2-(3-(2-(2-((8R,9S,10R,11R,13R,14R,16S,17S)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl)-2-oxoethylthio)ethyl)thioureido)ethylcarbamoyl)-1-methyl-1H-pyrrol-3-ylcarbamoyl)-1-methyl-1H-pyrrol-3-ylcarbamoyl)-1-methyl-1H-pyrrol-3-ylcarbamoyl)-1-methyl-1H-pyrrol-3-ylamino)-4-oxobutyl)-1-methyl-1H-imidazole-2-carboxamide

SMILES C[C@H]1C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@@]4(C)[C@]3(F)[C@H](O)C[C@@]2(C)[C@]1(O)C(=O)CSCCNC(=S)NCCNC(=O)c1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4cc(NC(=O)CCCNC(=O)c5nccn5C)cn4C)cn3C)cn2C)cn1C

InChI Key InChIKey=VECQOQJVHJQPLP-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50294142   

TargetGlucocorticoid receptor(Human)
University of Texas Southwestern Medical Center

Curated by ChEMBL
LigandPNGBDBM50294142(N-(4-(5-(5-(5-(5-(2-(3-(2-(2-((8R,9S,10R,11R,13R,1...)
Affinity DataIC50: 23nMAssay Description:Displacement of fluormone from human recombinant glucocorticoid receptor ligand binding domain by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/23/2012
Entry Details Article
PubMed