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

SMILES CN(C)c1cc2OCOc2cc1Sc1nc2c(N)nccc2n1CCNCC(C)(C)C

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(Homo sapiens (Human))
Curis

US Patent
LigandPNGBDBM50439622(CHEMBL2419346 | US10035797, Compound 111 | US10428...)
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
TargetHeat shock protein 75 kDa, mitochondrial(Homo sapiens (Human))
Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL
LigandPNGBDBM50439622(CHEMBL2419346 | US10035797, Compound 111 | US10428...)
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 DepthDetails ArticlePubMed
TargetEndoplasmin(Canis familiaris)
Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL
LigandPNGBDBM50439622(CHEMBL2419346 | US10035797, Compound 111 | US10428...)
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 DepthDetails ArticlePubMed
TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
Curis

US Patent
LigandPNGBDBM50439622(CHEMBL2419346 | US10035797, Compound 111 | US10428...)
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
TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
Curis

US Patent
LigandPNGBDBM50439622(CHEMBL2419346 | US10035797, Compound 111 | US10428...)
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
TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
Curis

US Patent
LigandPNGBDBM50439622(CHEMBL2419346 | US10035797, Compound 111 | US10428...)
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
TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
Curis

US Patent
LigandPNGBDBM50439622(CHEMBL2419346 | US10035797, Compound 111 | US10428...)
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