BDBM50180309 2-fluoro-8-(2-chloro-4,5-dimethoxy-benzyl)-9-(pent-4-ynyl)-adenine::CHEMBL199505::US10676476, Example 14

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

InChI Key InChIKey=NANFVDQWIFFKGJ-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 = 50180309   

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

Curated by ChEMBL
LigandPNGBDBM50180309(2-fluoro-8-(2-chloro-4,5-dimethoxy-benzyl)-9-(pent...)
Affinity DataEC50:  4.60E+3nMAssay Description:Inhibitory activity against Hsp90 in human breast cancer SKBr3 cell lineMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetHeat shock protein HSP 90-beta(Human)
Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL
LigandPNGBDBM50180309(2-fluoro-8-(2-chloro-4,5-dimethoxy-benzyl)-9-(pent...)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of Her2 degradation in human breast cancer SKBr3 cell lineMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetHeat shock protein HSP 90-beta(Human)
Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL
LigandPNGBDBM50180309(2-fluoro-8-(2-chloro-4,5-dimethoxy-benzyl)-9-(pent...)
Affinity DataEC50:  4.50E+3nMAssay Description:Inhibitory activity against Hsp90 in human breast cancer MDA-MB-468 cell lineMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetHeat shock protein HSP 90-alpha(Human)
Sloan-Kettering Institute For Cancer Research

US Patent
LigandPNGBDBM50180309(2-fluoro-8-(2-chloro-4,5-dimethoxy-benzyl)-9-(pent...)
Affinity DataEC50:  4.60E+3nMAssay 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 Depth
Date in BDB:
3/11/2021
Entry Details
Go to US Patent

TargetReceptor tyrosine-protein kinase erbB-2(Human)
Sloan-Kettering Institute For Cancer Research

US Patent
LigandPNGBDBM50180309(2-fluoro-8-(2-chloro-4,5-dimethoxy-benzyl)-9-(pent...)
Affinity DataIC50: 3.00E+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 Depth
Date in BDB:
3/11/2021
Entry Details
Go to US Patent