BDBM50450702 CHEMBL4166329

SMILES Cc1ccc(c(c1)C)Sc2nc-3c(ncn(c3n2)CCCC#C)N

InChI Key InChIKey=IIQUFGUOGYICIJ-UHFFFAOYSA-N

Data  2 IC50

PDB links: 2 PDB IDs match this monomer.

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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50450702   

TargetEndoplasmin(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50450702(CHEMBL4166329)
Affinity DataIC50: 1.18E+4nMAssay Description:Binding affinity to GRP94 N-domain (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetHeat shock protein HSP 90-alpha(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50450702(CHEMBL4166329)
Affinity DataIC50: 2.50E+5nMAssay Description:Inhibition of human recombinant HSP90alpha expressed in Escherichia coli by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)