BDBM50197430 CHEMBL245267::[2-(2-{[4-((9S,11R,13S,14S,17S)-17-hydroxy-13-methyl-3-oxo-17-prop-1-ynyl-2,3,6,7,8,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-11-yl)-phenyl]-methyl-amino}-acetylamino)-thiazol-4-yl]-acetic acid

SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)CC(=O)Nc1nc(CC(O)=O)cs1

InChI Key InChIKey=UDHISUQCHJCRAL-UHFFFAOYSA-N

Data  3 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50197430   

TargetGlucocorticoid receptor(Human)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50197430([2-(2-{[4-((9S,11R,13S,14S,17S)-17-hydroxy-13-meth...)
Affinity DataKi:  31nMAssay Description:Inhibition of human GR transcriptional activation by HepTAT cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/10/2012
Entry Details Article
PubMed
TargetGlucocorticoid receptor(Human)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50197430([2-(2-{[4-((9S,11R,13S,14S,17S)-17-hydroxy-13-meth...)
Affinity DataKi:  35nMAssay Description:Displacement of radiolabeled Dexamethasone from human GRMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/10/2012
Entry Details Article
PubMed
TargetGlucocorticoid receptor(Human)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50197430([2-(2-{[4-((9S,11R,13S,14S,17S)-17-hydroxy-13-meth...)
Affinity DataKi:  765nMAssay Description:Inhibition of human GR expressed in hGRAF cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/10/2012
Entry Details Article
PubMed