BDBM50450702 CHEMBL4166329

SMILES Cc1ccc(Sc2nc3c(N)ncn(CCCC#C)c3n2)c(C)c1

InChI Key InChIKey=IIQUFGUOGYICIJ-UHFFFAOYSA-N

Data  2 IC50

PDB links: 2 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50450702   

TargetEndoplasmin(Human)
China Pharmaceutical University

Curated by ChEMBL

LigandBDBM50450702(CHEMBL4166329)Copy SMILESCopy InChI

Affinity DataIC50: 1.18E+4nMAssay Description:Binding affinity to GRP94 N-domain (unknown origin)More data for this Ligand-Target Pair

Target InfoPDB
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchasePC cidPC sidPDBSimilars

In DepthDetails Article
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TargetHeat shock protein HSP 90-alpha(Human)
China Pharmaceutical University

Curated by ChEMBL

LigandBDBM50450702(CHEMBL4166329)Copy SMILESCopy InChI

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

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchasePC cidPC sidPDBSimilars

In DepthDetails Article
Copy BDB DOIPubMedPDB3D Structure (crystal)
Copy reaction URL