null

SMILES Nc1ncnc2n(CCCC#C)c(Sc3ccccc3OC(F)(F)F)nc12

InChI Key InChIKey=KMLKYPXEIVGNDC-UHFFFAOYSA-N

  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 = 50165278   

TargetHeat shock protein HSP 90-alpha(Mus musculus)
Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL
LigandPNGBDBM50165278(9-Pent-4-ynyl-8-(2-trifluoromethoxy-phenylsulfanyl...)copy SMILEScopy InChI
Affinity DataEC50:  5.60E+3nMAssay Description:Displacement of 5 nM GM-BODIPY from mouse heat shock protein HSP90-alphaMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2N29WF6PubMed
TargetHeat shock protein HSP 90-alpha/90-beta(Homo sapiens (Human))
Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL
LigandPNGBDBM50165278(9-Pent-4-ynyl-8-(2-trifluoromethoxy-phenylsulfanyl...)copy SMILEScopy InChI
Affinity DataIC50: 9.70E+4nMAssay Description:Inhibition of Hsp90 protein as degradation of HER2 kinase in SKBr3 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2N29WF6PubMed
TargetHeat shock protein HSP 90-beta(Homo sapiens (Human))
Sloan-Kettering

Curated by ChEMBL
LigandPNGBDBM50165278(9-Pent-4-ynyl-8-(2-trifluoromethoxy-phenylsulfanyl...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+5nMAssay Description:Displacement of Cy3B-GM from recombinant Hsp90beta (unknown origin) after 24 hrs by fluorescence polarization assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2CC12DDPubMed
TargetEndoplasmin(Homo sapiens (Human))
Sloan-Kettering

Curated by ChEMBL
LigandPNGBDBM50165278(9-Pent-4-ynyl-8-(2-trifluoromethoxy-phenylsulfanyl...)copy SMILEScopy InChI
Affinity DataIC50: 1.40E+3nMAssay Description:Displacement of Cy3B-GM from recombinant Grp94 (unknown origin) after 24 hrs by fluorescence polarization assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2CC12DDPubMed
TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
Sloan-Kettering

Curated by ChEMBL
LigandPNGBDBM50165278(9-Pent-4-ynyl-8-(2-trifluoromethoxy-phenylsulfanyl...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+5nMAssay Description:Displacement of Cy3B-GM from recombinant Hsp90alpha (unknown origin) after 24 hrs by fluorescence polarization assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2CC12DDPubMed