BDBM50520387 CHEMBL4590017

SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N(CC(O)=O)c1ccc(Nc2ccnc(n2)N2CCCC2)cc1

InChI Key InChIKey=IIPYRKNROAWEPK-UHFFFAOYSA-N

Data  1 IC50  2 Kd

  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 4 hits for monomerid = 50520387   

TargetHeat shock protein HSP 90-alpha/90-beta(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50520387(CHEMBL4590017)
Affinity DataKd:  3.86E+3nMAssay Description:Binding affinity to recombinant full-length biotinylated-HSP90 N-terminal domain (9 to 236 residues) (unknown origin) expressed in Escherichia coli B...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/23/2021
Entry Details Article
PubMed
TargetHeat shock protein HSP 90-alpha(Human)
Sichuan University

Curated by ChEMBL
LigandPNGBDBM50520387(CHEMBL4590017)
Affinity DataKd:  3.86E+3nMAssay Description:Binding affinity to HSP90alpha (unknown origin) assessed as dissociation constant by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetHeat shock protein HSP 90-alpha/90-beta(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50520387(CHEMBL4590017)
Affinity DataKd:  7.81E+3nMAssay Description:Binding affinity to recombinant full-length HSP90 N-terminal domain (9 to 236 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) by ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/23/2021
Entry Details Article
PubMed
TargetHeat shock protein HSP 90-alpha/90-beta(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50520387(CHEMBL4590017)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of recombinant full-length HSP90 ATPase activity N-terminal domain (9 to 236 residues) (unknown origin) expressed in Escherichia coli BL21...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/23/2021
Entry Details Article
PubMed