BDBM50485861 chloroderivative

SMILES Nc1ncnc2n(CCc3ccccc3Cl)c(Sc3cc4OCOc4cc3Br)nc12

InChI Key InChIKey=USVZHTBPMMSRHY-UHFFFAOYSA-N

Data  2 IC50

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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50485861   

TargetHeat shock protein HSP 90-alpha/90-beta(Homo sapiens (Human))
Myrexis Inc.

Curated by ChEMBL
LigandPNGBDBM50485861(chloroderivative)
Show SMILES Nc1ncnc2n(CCc3ccccc3Cl)c(Sc3cc4OCOc4cc3Br)nc12
Show InChI InChI=1S/C20H15BrClN5O2S/c21-12-7-14-15(29-10-28-14)8-16(12)30-20-26-17-18(23)24-9-25-19(17)27(20)6-5-11-3-1-2-4-13(11)22/h1-4,7-9H,5-6,10H2,(H2,23,24,25)
Affinity DataIC50: 50nMAssay Description:Inhibition of human HSP90 in HCT116 cells expressing Her2 gene assessed as degradation of Her2 after 4 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetHeat shock protein HSP 90-alpha/90-beta(Homo sapiens (Human))
Myrexis Inc.

Curated by ChEMBL
LigandPNGBDBM50485861(chloroderivative)
Show SMILES Nc1ncnc2n(CCc3ccccc3Cl)c(Sc3cc4OCOc4cc3Br)nc12
Show InChI InChI=1S/C20H15BrClN5O2S/c21-12-7-14-15(29-10-28-14)8-16(12)30-20-26-17-18(23)24-9-25-19(17)27(20)6-5-11-3-1-2-4-13(11)22/h1-4,7-9H,5-6,10H2,(H2,23,24,25)
Affinity DataIC50: 30nMAssay Description:Inhibition of human HSP90 using BODIPY labelled geldanamycin as substrate by fluorescence polarization assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid