BDBM50439622 CHEMBL2419346::US10035797, Compound 111::US10428068, Compound 111::US10844056, Compound 111::US11560377, Compound 111::US9630965, Compound 111

SMILES CC(C)(C)CNCCn1c2ccnc(c2nc1Sc3cc4c(cc3N(C)C)OCO4)N

InChI Key InChIKey=RVJIQAYFTOPTKK-UHFFFAOYSA-N

Data  7 IC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50439622   

TargetHeat shock protein HSP 90-alpha(Human)
Curis

US Patent
LigandPNGBDBM50439622(CHEMBL2419346 | US10035797, Compound 111 | US96309...)
Affinity DataIC50: 100nMpH: 7.3Assay Description:A fluorescein isothiocyanate (FITC) labeled GM was purchase from InvivoGen (ant-fgl-1). The interaction between HSP90 and labeled GM forms the basis ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/25/2018
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)
TargetHeat shock protein 75 kDa, mitochondrial(Human)
Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL
LigandPNGBDBM50439622(CHEMBL2419346 | US10035797, Compound 111 | US96309...)
Affinity DataIC50: 1.59E+3nMAssay Description:Displacement of 5-(3-(3-(6-amino-8-(6-iodobenzo[d][1,3]dioxol-5-ylthio)-9H-purin-9-yl)propyl)thioureido)-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMed
TargetEndoplasmin(Dog)
Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL
LigandPNGBDBM50439622(CHEMBL2419346 | US10035797, Compound 111 | US96309...)
Affinity DataIC50: 190nMAssay Description:Displacement of 5-(3-(3-(6-amino-8-(6-iodobenzo[d][1,3]dioxol-5-ylthio)-9H-purin-9-yl)propyl)thioureido)-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMed
TargetHeat shock protein HSP 90-alpha(Human)
Curis

US Patent
LigandPNGBDBM50439622(CHEMBL2419346 | US10035797, Compound 111 | US96309...)
Affinity DataIC50: 100nMAssay Description:A fluorescein isothiocyanate (FITC) labeled GM was purchase from InvivoGen (ant-fgl-1). The interaction between HSP90 and labeled GM forms the basis ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/20/2019
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)
TargetHeat shock protein HSP 90-alpha(Human)
Curis

US Patent
LigandPNGBDBM50439622(CHEMBL2419346 | US10035797, Compound 111 | US96309...)
Affinity DataIC50: 100nMAssay Description:HSP90: A fluorescein isothiocyanate (FITC) labeled GM was purchase from InvivoGen (ant-fgl-1). The interaction between HSP90 and labeled GM forms the...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)
TargetHeat shock protein HSP 90-alpha(Human)
Curis

US Patent
LigandPNGBDBM50439622(CHEMBL2419346 | US10035797, Compound 111 | US96309...)
Affinity DataIC50: 100nMAssay Description:A fluorescein isothiocyanate (FITC) labeled GM was purchase from InvivoGen (ant-fgl-1). The interaction between HSP90 and labeled GM forms the basis ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/6/2021
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)
TargetHeat shock protein HSP 90-alpha(Human)
Curis

US Patent
LigandPNGBDBM50439622(CHEMBL2419346 | US10035797, Compound 111 | US96309...)
Affinity DataIC50: 100nMAssay Description:A fluorescein isothiocyanate (FITC) labeled GM was purchase from InvivoGen (ant-fgl-1). The interaction between HSP90 and labeled GM forms the basis ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/19/2023
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)