BDBM20928 5-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-N-ethyl-4-[4-(piperidin-1-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide::Isoxazole, 41f::US10413550, Example 78a::US11234987, Example 78a::US9718793, 78a

SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCCCC2)cc1)-c1cc(C(C)C)c(O)cc1O

InChI Key InChIKey=FQKHRMZPORXQSR-UHFFFAOYSA-N

Data  5 IC50  1 Kd  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 6 hits for monomerid = 20928   

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

LigandPNGBDBM20928(5-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-N-ethyl-4-...)
Affinity DataIC50:  6nM EC50:  40nMAssay 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 DepthDetails ArticlePubMed
Target[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial(Homo sapiens (Human))
Chinese Academy Of Sciences

Curated by ChEMBL
LigandPNGBDBM20928(5-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-N-ethyl-4-...)
Affinity DataIC50:  1.19E+4nMAssay Description:Inhibition of PDHK1 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHeat shock protein HSP 90-alpha/90-beta(Homo sapiens (Human))
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM20928(5-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-N-ethyl-4-...)
Affinity DataKd:  255nMAssay Description:Binding affinity to human Hsp90 expressed in Escherichia coli by SPR assayMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetEndoplasmin/Heat shock protein 75/Heat shock protein HSP 90-alpha/Heat shock protein HSP 90-beta(Homo sapiens (Human))
The Institute of Cancer Research

US Patent
LigandPNGBDBM20928(5-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-N-ethyl-4-...)
Affinity DataIC50: <1.00E+4nMAssay Description: (1) Greiner 384-well (Greiner 781101) or Costar 384-well flat-bottomed polystyrene multiwell plates (VWR). (2) Assay buffer of (a) 100 mM Tris...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetATP-dependent molecular chaperone HSP82(Saccharomyces cerevisiae)
Cancer Research Technology

US Patent
LigandPNGBDBM20928(5-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-N-ethyl-4-...)
Affinity DataIC50: <5.00E+4nMAssay Description:1. Dilute test compounds to 500 uM in AR water (DMSO concentration will be 2.5%). Transfer 2.5 ul of these compounds directly from the daughter plate...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
The Institute of Cancer Research

US Patent
LigandPNGBDBM20928(5-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-N-ethyl-4-...)
Affinity DataIC50: <1.00E+4nMAssay Description:Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...More data for this Ligand-Target Pair
In DepthDetails US Patent