BDBM50180303 2-fluoro-8-(2-iodo-4,5-dimethoxy-benzyl)-9-(pent-4-ynyl)-adenine::CHEMBL202777::US10676476, Example 12

SMILES COc1cc(I)c(Cc2nc3c(N)nc(F)nc3n2CCCC#C)cc1OC

InChI Key InChIKey=DLZALBVCWWQWAJ-UHFFFAOYSA-N

Data  2 IC50  3 EC50

  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 5 hits for monomerid = 50180303   

TargetHeat shock protein HSP 90-beta(Homo sapiens (Human))
Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL
LigandPNGBDBM50180303(2-fluoro-8-(2-iodo-4,5-dimethoxy-benzyl)-9-(pent-4...)
Affinity DataEC50: >1.50E+4nMAssay Description:Inhibitory activity against Hsp90 in human breast cancer MDA-MB-468 cell lineMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHeat shock protein HSP 90-beta(Homo sapiens (Human))
Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL
LigandPNGBDBM50180303(2-fluoro-8-(2-iodo-4,5-dimethoxy-benzyl)-9-(pent-4...)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of Her2 degradation in human breast cancer SKBr3 cell lineMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReceptor tyrosine-protein kinase erbB-2(Homo sapiens (Human))
Sloan-Kettering Institute For Cancer Research

US Patent
LigandPNGBDBM50180303(2-fluoro-8-(2-iodo-4,5-dimethoxy-benzyl)-9-(pent-4...)
Affinity DataIC50: >5.00E+4nMAssay Description:The biochemical assay tests competitive binding of compounds to recombinant Hsp90α protein and also Hsp90 found in cell specific complexes, and ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
Sloan-Kettering Institute For Cancer Research

US Patent
LigandPNGBDBM50180303(2-fluoro-8-(2-iodo-4,5-dimethoxy-benzyl)-9-(pent-4...)
Affinity DataEC50: >1.50E+4nMAssay Description:The biochemical assay tests competitive binding of compounds to recombinant Hsp90α protein and also Hsp90 found in cell specific complexes, and ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetHeat shock protein HSP 90-beta(Homo sapiens (Human))
Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL
LigandPNGBDBM50180303(2-fluoro-8-(2-iodo-4,5-dimethoxy-benzyl)-9-(pent-4...)
Affinity DataEC50: >1.50E+4nMAssay Description:Inhibitory activity against Hsp90 in human breast cancer SKBr3 cell lineMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed