BDBM126083 US8779142, 102

SMILES CCc1cc(ccc1-n1nc(C(C)C)c2c(ccnc12)-n1cnc(c1)-c1cnn(C)c1)C(N)=O

InChI Key InChIKey=NVVPMZUGELHVMH-UHFFFAOYSA-N

Data  8 KI  2 IC50  1 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 126083   

TargetHeat shock protein HSP 90-alpha(Human)
Taiho Pharmaceutical

US Patent
LigandPNGBDBM126083(US8779142, 102)
Affinity DataIC50: 210nMpH: 7.5Assay Description:The HSP90-binding activity was measured by an AlphaScreen competitive assay system. The purified HSP90 solution was diluted with a binding buffer (50...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/8/2014
Entry Details
Go to US Patent

TargetHeat shock protein HSP 90-alpha(Human)
Taiho Pharmaceutical

US Patent
LigandPNGBDBM126083(US8779142, 102)
Affinity DataIC50: 69nMAssay Description:Displacement of biotin-labeled geldanamycin from His-tagged HSP90alpha NTD (unknown origin) preincubated for 2 hrs followed by biotin-labeled geldana...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/22/2021
Entry Details Article
PubMed
TargetHeat shock protein HSP 90-alpha(Human)
Taiho Pharmaceutical

US Patent
LigandPNGBDBM126083(US8779142, 102)
Affinity DataKd:  170nMAssay Description:Binding affinity to human HSP90-alpha N-terminal domain assessed as dissociation constant at 100 uM at 25 degC by isothermal titration calorimetryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/5/2023
Entry Details Article
PubMed
TargetHeat shock protein HSP 90-beta(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM126083(US8779142, 102)
Affinity DataKi:  21nMAssay Description:Inhibition of FITC-geldanamycin binding to recombinant human HSP90beta expressed in Escherichia coli preincubated for 2 hrs followed by Geldanamycin-...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed
TargetHeat shock protein HSP 90-beta(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM126083(US8779142, 102)
Affinity DataKi:  21nMAssay Description:Binding affinity to human HSP90-beta by fluorescence polarization competitive binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/5/2023
Entry Details Article
PubMed
TargetHeat shock protein HSP 90-alpha(Human)
Taiho Pharmaceutical

US Patent
LigandPNGBDBM126083(US8779142, 102)
Affinity DataKi:  35nMAssay Description:Inhibition of FITC-geldanamycin binding to recombinant human HSP90alpha expressed in Escherichia coli preincubated for 2 hrs followed by Geldanamycin...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed
TargetHeat shock protein HSP 90-alpha(Human)
Taiho Pharmaceutical

US Patent
LigandPNGBDBM126083(US8779142, 102)
Affinity DataKi:  35nMAssay Description:Inhibition of FITC-GDA binding to human HSP90-alpha incubated for 2 hrs followed by FITC-GDA addition and measured after 5 hrs by fluorescence polari...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/5/2023
Entry Details Article
PubMed
TargetHeat shock protein 75 kDa, mitochondrial(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM126083(US8779142, 102)
Affinity DataKi: >5.00E+4nMAssay Description:Inhibition of FITC-geldanamycin binding to N-terminal His-tagged recombinant human TRAP1 (60 to 704 residues) expressed in Escherichia coli preincuba...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed
TargetEndoplasmin(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM126083(US8779142, 102)
Affinity DataKi: >5.00E+4nMAssay Description:Inhibition of FITC-geldanamycin binding to N-terminal His-tagged recombinant human GRP94 expressed in Escherichia coli preincubated for 2 hrs followe...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed
TargetEndoplasmin(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM126083(US8779142, 102)
Affinity DataKi: >5.00E+4nMAssay Description:Binding affinity to GRP94 (unknown origin) by fluorescence polarization competitive binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/5/2023
Entry Details Article
PubMed
TargetHeat shock protein 75 kDa, mitochondrial(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM126083(US8779142, 102)
Affinity DataKi: >5.00E+4nMAssay Description:Binding affinity to TRAP1 (unknown origin) by fluorescence polarization competitive binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/5/2023
Entry Details Article
PubMed