BDBM50294151 CHEMBL552769::N-(5-(4-(5-(5-(5-(5-(1-((8S,9R,10S,11S,13S,14S,16R,17R)-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)-12-methyl-1,17-dioxo-7-thioxo-3-thia-6,8,12,16-tetraazanonadecan-19-ylcarbamoyl)-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-oxobutylcarbamoyl)-1-methyl-1H-pyrrol-3-yl)-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)NCCCN(C)CCCNC(=O)CCNC(=O)c1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4cc(NC(=O)CCCNC(=O)c5cc(NC(=O)c6nccn6C)cn5C)cn4C)cn3C)cn2C)cn1C

InChI Key InChIKey=XNAJNCHWPBDVKR-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 = 50294151   

TargetGlucocorticoid receptor(Human)
University of Texas Southwestern Medical Center

Curated by ChEMBL
LigandPNGBDBM50294151(N-(5-(4-(5-(5-(5-(5-(1-((8S,9R,10S,11S,13S,14S,16R...)
Affinity DataIC50: 22nMAssay 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