null
SMILES CO[C@H]1C[C@H](C)CC2=C(OC)C(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O
InChI Key InChIKey=QTQAWLPCGQOSGP-KSRBKZBZSA-N
PDB links: 10 PDB IDs match this monomer.
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 38 hits for monomerid = 50008059
Affinity DataIC50: 140nMpH: 7.3Assay Description:Briefly, reaction mixes (100 µL) containing 20 mM HEPES (pH 7.3), 50 mM KCl, 2 mM DTT, 5 mM MgCl2, 20 mM Na2MoO4, 0.01% Triton X-100 with 0.1 mg/mL B...More data for this Ligand-Target Pair
Affinity DataKd: 714nMAssay Description:Binding affinity to N-terminal FLAG-tagged human recombinant HSP90alpha expressed in Escherichia coli BL21(DE3) by microscale thermophoresis assayMore data for this Ligand-Target Pair
3D Structure (crystal)Affinity DataIC50: 74nMAssay Description:Displacement of GM-BODIPY from human full length HSP90 alpha expressed in baculovirus-infected Sf9 cells after 16 hrs by fluorescence polarization as...More data for this Ligand-Target Pair
Affinity DataIC50: 780nMAssay Description:Inhibition of GA-FITC binding to human recombinant Hsp90alpha incubated for 5 hrs by fluorescence polarization assayMore data for this Ligand-Target Pair
Affinity DataIC50: 282nMAssay Description:Inhibition of HSP90 in rabbit reticulocyte lysate after 90 mins by luciferase renaturation assayMore data for this Ligand-Target Pair
Affinity DataIC50: 10nMAssay Description:Inhibition of HSP90 in human MDA-kb2 cells assessed as reduction in glucocorticoid receptor-dependent luciferase expression after 18 hrs by firefly l...More data for this Ligand-Target Pair
Affinity DataIC50: 140nMAssay Description:Displacement of GA-FITC from human recombinant HSP90alpha ATP-binding site by fluorescence polarization assayMore data for this Ligand-Target Pair
TargetHeat shock protein HSP 90-alpha/90-beta(Homo sapiens (Human))
Sloan-Kettering Institute for Cancer Research
Curated by ChEMBL
Sloan-Kettering Institute for Cancer Research
Curated by ChEMBL
Affinity DataIC50: 200nMAssay Description:Inhibition of steady-state expression of Raf-1 in MCF-7 breast cancer cellsMore data for this Ligand-Target Pair
Affinity DataIC50: 14nMAssay Description:Inhibition of fluorescein isothiocyanate labeled geldanamycin binding to N-terminal domain of full length human recombinant Hsp90alpha expressed in E...More data for this Ligand-Target Pair
Affinity DataIC50: 14nMAssay Description:Inhibition of FITC-geldanamycin binding to N-terminal domain of recombinant full-length HSP90alpha (unknown origin) after 16 hrs by fluorescence pola...More data for this Ligand-Target Pair
TargetHeat shock protein HSP 90-alpha/90-beta(Homo sapiens (Human))
Sloan-Kettering Institute for Cancer Research
Curated by ChEMBL
Sloan-Kettering Institute for Cancer Research
Curated by ChEMBL
Affinity DataIC50: 16nMAssay Description:Inhibition of geldanamycin-based probe binding to HSP90 (unknown origin) by fluorescence polarization assayMore data for this Ligand-Target Pair
Affinity DataIC50: 27nMAssay Description:Inhibition of HSP90alpha (unknown origin)More data for this Ligand-Target Pair
TargetHeat shock protein HSP 90-alpha/90-beta(Homo sapiens (Human))
Sloan-Kettering Institute for Cancer Research
Curated by ChEMBL
Sloan-Kettering Institute for Cancer Research
Curated by ChEMBL
Affinity DataKd: 1.20E+3nMAssay Description:Binding affinity to Heat Shock Protein 90 (unknown origin)More data for this Ligand-Target Pair
Affinity DataIC50: 272nMAssay Description:Inhibition of recombinant Homo sapiens (human) Hsp90 alpha ATPase activity assessed as inorganic phosphate release by malachite green colorimetric me...More data for this Ligand-Target Pair
TargetBreakpoint cluster region protein/Tyrosine-protein kinase ABL1(Homo sapiens (Human))
Chinese Academy of Sciences
Curated by ChEMBL
Chinese Academy of Sciences
Curated by ChEMBL
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of imatinib-resistant BCR-ABL T315I mutant (unknown origin) expressed in mouse BA/F3 cells assessed as decrease in cell viability after 48...More data for this Ligand-Target Pair
TargetBreakpoint cluster region protein/Tyrosine-protein kinase ABL1(Homo sapiens (Human))
Chinese Academy of Sciences
Curated by ChEMBL
Chinese Academy of Sciences
Curated by ChEMBL
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of BCR-ABL (unknown origin) expressed in mouse BA/F3 cells assessed as decrease in cell viability after 48 hrs by trypan blue exclusion as...More data for this Ligand-Target Pair
TargetBreakpoint cluster region protein/Tyrosine-protein kinase ABL1(Homo sapiens (Human))
Chinese Academy of Sciences
Curated by ChEMBL
Chinese Academy of Sciences
Curated by ChEMBL
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of imatinib-resistant BCR-ABL T315I mutant (unknown origin) expressed in mouse BA/F3 cells assessed as decrease in cell viability after 48...More data for this Ligand-Target Pair
TargetBreakpoint cluster region protein/Tyrosine-protein kinase ABL1(Homo sapiens (Human))
Chinese Academy of Sciences
Curated by ChEMBL
Chinese Academy of Sciences
Curated by ChEMBL
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of BCR-ABL (unknown origin) expressed in mouse BA/F3 cells assessed as decrease in cell viability after 48 hrs by trypan blue exclusion as...More data for this Ligand-Target Pair
TargetHeat shock protein HSP 90-alpha/90-beta(Homo sapiens (Human))
Sloan-Kettering Institute for Cancer Research
Curated by ChEMBL
Sloan-Kettering Institute for Cancer Research
Curated by ChEMBL
Affinity DataIC50: 70nMAssay Description:Inhibition of Hsp90 in human SKBR3 cellsMore data for this Ligand-Target Pair
TargetHeat shock protein HSP 90-alpha/90-beta(Homo sapiens (Human))
Sloan-Kettering Institute for Cancer Research
Curated by ChEMBL
Sloan-Kettering Institute for Cancer Research
Curated by ChEMBL
Affinity DataIC50: 70nMAssay Description:Inhibition of Hsp90 in human SKBR3 cellsMore data for this Ligand-Target Pair
Affinity DataIC50: 49nMAssay Description:Displacement of fluorescent labelled-VER00051001 from N-terminal ATP-binding site of human recombinant HSP90A expressed in Escherichia coli measured ...More data for this Ligand-Target Pair
Affinity DataIC50: 54nMAssay Description:Displacement of fluorescent labelled-VER00051001 from N-terminal ATP-binding site of human recombinant HSP90A expressed in Escherichia coli measured ...More data for this Ligand-Target Pair
Affinity DataIC50: 42nMAssay Description:Displacement of fluorescent labelled-VER00051001 from N-terminal ATP-binding site of human recombinant HSP90A expressed in Escherichia coli measured ...More data for this Ligand-Target Pair
Affinity DataIC50: 42nMAssay Description:Displacement of fluorescent labelled-VER00051001 from N-terminal ATP-binding site of human recombinant HSP90A expressed in Escherichia coli measured ...More data for this Ligand-Target Pair
Affinity DataIC50: 54nMAssay Description:Displacement of fluorescent labelled-VER00051001 from N-terminal ATP-binding site of human recombinant HSP90A expressed in Escherichia coli measured ...More data for this Ligand-Target Pair
Affinity DataIC50: 49nMAssay Description:Displacement of fluorescent labelled-VER00051001 from N-terminal ATP-binding site of human recombinant HSP90A expressed in Escherichia coli measured ...More data for this Ligand-Target Pair
Affinity DataIC50: 42nMAssay Description:Displacement of fluorescent labelled-VER00051001 from N-terminal ATP-binding site of human recombinant HSP90A expressed in Escherichia coli measured ...More data for this Ligand-Target Pair
Affinity DataIC50: 42nMAssay Description:Displacement of fluorescent labelled-VER00051001 from N-terminal ATP-binding site of human recombinant HSP90A expressed in Escherichia coli measured ...More data for this Ligand-Target Pair
Affinity DataIC50: 44nMAssay Description:Displacement of fluorescent labelled-VER00051001 from N-terminal ATP-binding site of human recombinant HSP90A expressed in Escherichia coli measured ...More data for this Ligand-Target Pair
Affinity DataIC50: 44nMAssay Description:Displacement of fluorescent labelled-VER00051001 from N-terminal ATP-binding site of human recombinant HSP90A expressed in Escherichia coli measured ...More data for this Ligand-Target Pair
TargetHeat shock protein 90, putative(Plasmodium falciparum 3D7)
Universit£ de Gen£ve
Curated by ChEMBL
Universit£ de Gen£ve
Curated by ChEMBL
Affinity DataKd: 169nMAssay Description:Binding affinity to recombinant Plasmodium falciparum Hsp90 expressed in Escherichia coli BL21(DE3) pLysS by microscale thermophoresis assayMore data for this Ligand-Target Pair
Affinity DataKd: 158nMAssay Description:Binding affinity to recombinant human Hsp90 beta expressed in Escherichia coli BL21(DE3) pLysS by microscale thermophoresis assayMore data for this Ligand-Target Pair
Affinity DataIC50: 100nMAssay Description:Inhibition of HSP90alpha (unknown origin)More data for this Ligand-Target Pair
Affinity DataKd: 152nMAssay Description:Binding affinity to N-terminal FLAG-tagged human recombinant HSP90beta expressed in Escherichia coli BL21(DE3) by microscale thermophoresis assayMore data for this Ligand-Target Pair