BDBM20739 4-chloro-6-(5-{[2-(morpholin-4-yl)ethyl]amino}-1,2-benzoxazol-3-yl)benzene-1,3-diol::Benzisoxazole, 13::CHEMBL404630

SMILES Oc1cc(O)c(cc1Cl)-c1noc2ccc(NCCN3CCOCC3)cc12

InChI Key InChIKey=JLIRVZVVCCIAKG-UHFFFAOYSA-N

Data  2 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 20739   

TargetHeat shock protein HSP 90-beta(Human)
Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL
LigandPNGBDBM20739(4-chloro-6-(5-{[2-(morpholin-4-yl)ethyl]amino}-1,2...)
Affinity DataIC50:  30nMAssay Description:Binding affinity to Hsp90 by fluorescence polarization assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetHeat shock protein HSP 90-alpha(Human)
Wyeth Research

LigandPNGBDBM20739(4-chloro-6-(5-{[2-(morpholin-4-yl)ethyl]amino}-1,2...)
Affinity DataIC50:  30nMpH: 7.3 T: 22°CAssay Description:Compounds were assayed over a threefold dilution series in a 96-well plate format to determine IC50 values. The reaction was allowed to proceed with ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)