BDBM50005782 ATI-13387X::ONALESPIB

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

InChI Key InChIKey=IFRGXKKQHBVPCQ-UHFFFAOYSA-N

Data  13 IC50  4 Kd

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 50005782   

TargetHeat shock protein HSP 90-alpha/90-beta(Human)
Dezhou University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50005782BDBM50005782(ATI-13387X | ONALESPIB)
Affinity DataIC50: 0.130nMAssay Description:Inhibition of Hsp90 (unknown origin) ATPase activity assessed as decrease in absorbance using PEP as substrate in presence of ATP and NADH by absorba...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/6/2026
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetHeat shock protein HSP 90-alpha(Human)
East China Normal University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50005782BDBM50005782(ATI-13387X | ONALESPIB)
Affinity DataIC50: 9.90nMAssay Description:Inhibition of N-terminal HSP90alpha (unknown origin) ATPase activity incubated for 3 hrs by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/6/2026
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetEndoplasmin(Dog)
China Pharmaceutical University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50005782BDBM50005782(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 Depth
Date in BDB:
3/7/2023
Entry Details Article
PubMed
TargetHeat shock protein HSP 90-alpha(Human)
East China Normal University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50005782BDBM50005782(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
In Depth
Date in BDB:
3/26/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetHeat shock protein HSP 90-alpha(Human)
East China Normal University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50005782BDBM50005782(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
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetHeat shock protein HSP 90-alpha(Human)
East China Normal University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50005782BDBM50005782(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
In Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetHeat shock protein HSP 90-alpha/90-beta(Human)
Dezhou University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50005782BDBM50005782(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
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetEndoplasmin(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50005782BDBM50005782(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 Depth
Date in BDB:
3/26/2022
Entry Details Article
PubMed
TargetHeat shock protein HSP 90-alpha/90-beta(Human)
Dezhou University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50005782BDBM50005782(ATI-13387X | ONALESPIB)
Affinity DataKd:  27nMAssay Description:Binding affinity to Hsp90 (unknown origin) assessed as dissociation constant incubated for 30 mins by fluorescence spectrophotometric analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/6/2026
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetHeat shock protein HSP 90-beta(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50005782BDBM50005782(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
In Depth
Date in BDB:
2/7/2015
Entry Details Article
PubMed
TargetEndoplasmin(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50005782BDBM50005782(ATI-13387X | ONALESPIB)
Affinity DataIC50: 30nMAssay Description:Inhibition of GRP94 (unknown origin) incubated for 12 to 16 hrs by FP competition assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/6/2026
Entry Details
PubMed
TargetEndoplasmin(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50005782BDBM50005782(ATI-13387X | ONALESPIB)
Affinity DataKd:  30nMAssay Description:Binding affinity to GRP94 (unknown origin) assessed as dissociation constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/6/2026
Entry Details
PubMed
TargetHeat shock protein HSP 90-alpha(Human)
East China Normal University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50005782BDBM50005782(ATI-13387X | ONALESPIB)
Affinity DataIC50: 50nMAssay Description:Inhibition of HSP90alpha (unknown origin) incubated for 12 to 16 hrs by FP competition assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/6/2026
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetHeat shock protein HSP 90-alpha(Human)
East China Normal University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50005782BDBM50005782(ATI-13387X | ONALESPIB)
Affinity DataKd:  50nMAssay Description:Binding affinity to Hsp90alpha (unknown origin) assessed as dissociation constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/6/2026
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetHeat shock protein HSP 90-alpha/90-beta(Human)
Dezhou University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50005782BDBM50005782(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
In Depth
Date in BDB:
2/23/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetHeat shock protein HSP 90-beta(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50005782BDBM50005782(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
In Depth
Date in BDB:
2/7/2015
Entry Details Article
PubMed
TargetHeat shock protein HSP 90-beta(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50005782BDBM50005782(ATI-13387X | ONALESPIB)
Affinity DataKd:  9.00E+3nMAssay Description:Binding affinity to HSP90beta (unknown origin) assessed as dissociation constant by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed