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.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50005782   

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

Curated by ChEMBL
LigandPNGBDBM50005782(ATI-13387X | ONALESPIB)
Affinity DataIC50:  350nMAssay Description:Inhibition of full-length HSP90 (unknown origin) expressed in Escherichia coli assessed as inhibition of ATPase activity after 3 hrs by spectrophotom...More data for this Ligand-Target Pair
TargetHeat shock protein HSP 90-beta(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50005782(ATI-13387X | ONALESPIB)
Affinity DataIC50:  30nMAssay Description:Displacement of FITC-geldanamycin from HSP90 (unknown origin) after 30 mins by fluorescence polarization assayMore data for this Ligand-Target Pair
TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
Chinese Academy Of Sciences

Curated by ChEMBL
LigandPNGBDBM50005782(ATI-13387X | ONALESPIB)
Affinity DataIC50:  14nMAssay Description:Inhibition of FITC-labeled geldanamycin binding to recombinant HSP90alpha (unknown origin) after 1 hr by fluorescence polarization assayMore data for this Ligand-Target Pair
TargetHeat shock protein HSP 90-alpha/90-beta(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50005782(ATI-13387X | ONALESPIB)
Affinity DataIC50:  22nMAssay Description:Inhibition of FITC-geldanamycin binding to human His-tagged HSP90alpha N-terminal domain (1 to 236 residues) expressed in Escherichia coli BL21star (...More data for this Ligand-Target Pair
TargetEndoplasmin(Canis familiaris)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50005782(ATI-13387X | ONALESPIB)
Affinity DataIC50:  13nMAssay Description:Inhibition of GST-tagged dog GRP94 (69 to 337 residues) expressed in Escherichia coli BL21 (DE3) measured after 4 hrs by fluorescent polarization ass...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHeat shock protein HSP 90-alpha/90-beta(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50005782(ATI-13387X | ONALESPIB)
Affinity DataIC50:  150nMAssay 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
TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
Chinese Academy Of Sciences

Curated by ChEMBL
LigandPNGBDBM50005782(ATI-13387X | ONALESPIB)
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
TargetEndoplasmin(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50005782(ATI-13387X | ONALESPIB)
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
In DepthDetails ArticlePubMed
TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
Chinese Academy Of Sciences

Curated by ChEMBL
LigandPNGBDBM50005782(ATI-13387X | ONALESPIB)
Affinity DataIC50:  20nMAssay Description:Inhibition of FITC-geldanamycin binding to recombinant human full-length C-terminal His-tagged HSP90alpha N-terminal domain (1 to 732 residues) expre...More data for this Ligand-Target Pair