BDBM50180305 2-fluoro-8-(6-chloro-benzo[1,3]dioxol-5-ylmethyl)-9-(pent-4-ynyl)adenine::CHEMBL201683::US10676476, Example 7

SMILES Nc1nc(F)nc2n(CCCC#C)c(Cc3cc4OCOc4cc3Cl)nc12

InChI Key InChIKey=BZOAIOKTNVREBR-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 = 50180305   

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

Curated by ChEMBL
LigandPNGBDBM50180305(2-fluoro-8-(6-chloro-benzo[1,3]dioxol-5-ylmethyl)-...)
Affinity DataEC50:  51.2nMAssay 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(Human)
Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL
LigandPNGBDBM50180305(2-fluoro-8-(6-chloro-benzo[1,3]dioxol-5-ylmethyl)-...)
Affinity DataIC50:  300nMAssay 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(Human)
Sloan-Kettering Institute For Cancer Research

US Patent
LigandPNGBDBM50180305(2-fluoro-8-(6-chloro-benzo[1,3]dioxol-5-ylmethyl)-...)
Affinity DataIC50:  300nMAssay 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(Human)
Sloan-Kettering Institute For Cancer Research

US Patent
LigandPNGBDBM50180305(2-fluoro-8-(6-chloro-benzo[1,3]dioxol-5-ylmethyl)-...)
Affinity DataEC50:  77.2nMAssay 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(Human)
Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL
LigandPNGBDBM50180305(2-fluoro-8-(6-chloro-benzo[1,3]dioxol-5-ylmethyl)-...)
Affinity DataEC50:  77.2nMAssay Description:Inhibitory activity against Hsp90 in human breast cancer SKBr3 cell lineMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed