BDBM50005782 ATI-13387X::ONALESPIB

SMILES CC(C)c1cc(C(=O)N2Cc3ccc(CN4CCN(C)CC4)cc3C2)c(O)cc1O

InChI Key InChIKey=IFRGXKKQHBVPCQ-UHFFFAOYSA-N

Data  9 IC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50005782   

TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL

LigandBDBM50005782(ATI-13387X | ONALESPIB)Copy SMILESCopy InChI

Affinity DataIC50:  13nMAssay Description:Displacement of FITC-geldanamycin from N-terminal HSP90alpha (unknown origin) after 30 mins by fluorescence polarization competitive binding assayMore data for this Ligand-Target Pair

Target InfoPDBMMDBNCI pathwayReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoPurchaseMCE
PC cidPC sidPDBPatents

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
Copy BDB DOI

TargetEndoplasmin(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL

LigandBDBM50005782(ATI-13387X | ONALESPIB)Copy SMILESCopy InChI

Affinity DataIC50:  22nMAssay Description:Displacement of FITC-geldanamycin from N-terminal GRP94 (unknown origin) after 30 mins by fluorescence polarization competitive binding assayMore data for this Ligand-Target Pair

Target InfoPDBReactome pathway
UniProtKB/SwissProt
antibodypediaGoogleScholar

Ligand InfoPurchaseMCE
PC cidPC sidPDBPatents

In DepthDetails ArticlePubMed
Copy BDB DOI