BDBM20890 3-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[3-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide::Pyrazole, 20a

SMILES CCNC(=O)c1[nH]nc(c1-c1cccc(CN2CCOCC2)c1)-c1cc(Cl)c(O)cc1O

InChI Key InChIKey=VKCVWIQVZOTIMF-UHFFFAOYSA-N

Data  1 IC50  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 20890   

TargetHeat shock protein HSP 90-beta(Human)
Vernalis (R&D)

LigandPNGBDBM20890(3-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[3-(mor...)
Affinity DataIC50: 222nM EC50:  2.69E+3nMpH: 7.4 T: 2°CAssay Description:The assay is based upon displacement of a fluorescently labeled molecule, which binds specifically to the ATP-binding site of full-length human Hsp90...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/28/2008
Entry Details Article
PubMed