BDBM50557195 CHEMBL4791530::US12030867, Compound 4i

SMILES COCc1cc2cc(cc(N[C@H]3CC[C@H](O)CC3)c2c(=O)[nH]1)-n1nc(C)c2c1CC(C)(C)CC2=O

InChI Key InChIKey=YEGYDXAGGLLELC-UHFFFAOYSA-N

Data  2 IC50  2 Kd

  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 4 hits for monomerid = 50557195   

TargetHeat shock protein HSP 90-beta(Human)
The University of Notre Dame

Curated by ChEMBL
LigandPNGBDBM50557195(CHEMBL4791530 | US12030867, Compound 4i)
Affinity DataIC50: 159nMAssay Description:Inhibition of FITC-GDA binding to human HSP90-beta incubated for 2 hrs by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/26/2022
Entry Details Article
PubMed
TargetHeat shock protein HSP 90-alpha(Human)
The University of Notre Dame

Curated by ChEMBL
LigandPNGBDBM50557195(CHEMBL4791530 | US12030867, Compound 4i)
Affinity DataIC50: 306nMAssay Description:Inhibition of FITC-GDA binding to human HSP90-alpha incubated for 2 hrs by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/26/2022
Entry Details Article
PubMed
TargetHeat shock protein HSP 90-alpha(Human)
The University of Notre Dame

Curated by ChEMBL
LigandPNGBDBM50557195(CHEMBL4791530 | US12030867, Compound 4i)
Affinity DataKd:  306nMAssay Description:TBDMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/16/2024
Entry Details
Go to US Patent

TargetHeat shock protein HSP 90-beta(Human)
The University of Notre Dame

Curated by ChEMBL
LigandPNGBDBM50557195(CHEMBL4791530 | US12030867, Compound 4i)
Affinity DataKd:  159nMAssay Description:TBDMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/16/2024
Entry Details
Go to US Patent