BDBM15359 (4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-19-(prop-2-en-1-ylamino)-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl carbamate::17-(Allylamino)geldanamycin::17-AAG::17AAG::CHEMBL109480::GLD-36::Tanespimycin

SMILES CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2N=CC=C

InChI Key InChIKey=VLKLQQLCVPDQFU-DHAPHRPOSA-N

Data  3 KI  19 IC50  7 Kd  13 EC50  4 ITC

  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 7 hits for monomerid = 15359   

TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
Biogen Idec

Curated by ChEMBL
LigandPNGBDBM15359((4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14-...)
Affinity DataKd:  220nMAssay Description:Binding affinity to human HSP90alpha assessed as 2D1H-15N chemical shift perturbation by NMR spectroscopyChecked by AuthorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
Biogen Idec

Curated by ChEMBL
LigandPNGBDBM15359((4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14-...)
Affinity DataKd:  220nMAssay Description:Binding affinity to biotinylated N-terminal human HSP90alpha using of streptavidin coated surface by SPR binding assayChecked by AuthorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHeat shock protein HSP 90-beta(Homo sapiens (Human))
Biogen Idec

Curated by ChEMBL
LigandPNGBDBM15359((4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14-...)
Affinity DataKd:  7.30nMAssay Description:Binding affinity to human Hsp90beta after overnight incubation by fluorescence polarization assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
Biogen Idec

Curated by ChEMBL
LigandPNGBDBM15359((4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14-...)
Affinity DataKd:  326nMAssay Description:Binding affinity to recombinant Hsp90 alpha (unknown origin) by surface plasmon resonanceMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
Biogen Idec

Curated by ChEMBL
LigandPNGBDBM15359((4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14-...)
Affinity DataKd:  760nMAssay Description:Binding affinity to human recombinant Hsp90alpha N-terminal domain by scintillation proximity assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
Biogen Idec

Curated by ChEMBL
LigandPNGBDBM15359((4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14-...)
Affinity DataKd:  160nMAssay Description:Binding affinity to human recombinant Hsp90alpha N-terminal domain by isothermal titration calorimetryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHeat shock protein HSP 90-beta(Homo sapiens (Human))
Biogen Idec

Curated by ChEMBL
LigandPNGBDBM15359((4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14-...)
Affinity DataKd:  1.30E+3nMAssay Description:Binding affinity to human recombinant HSP90More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

Activity Spreadsheet -- ITC Data from BindingDB

Found 4 hits for monomerid = 15359   

CellHeat Shock Protein 90 (Hsp90)(Saccharomyces cerevisiae (Baker s yeast))
University College London

SyringePNGBDBM15359((4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14-...)
ITC DataΔG°: -7.74kcal/mole −TΔS°: -3.25kcal/mole ΔH°: -4.61kcal/mole logk: 1.07E+6
pH: 8.0 T: 10.00°C 
CellHeat Shock Protein 90 (Hsp90)(Saccharomyces cerevisiae (Baker s yeast))
University College London

SyringePNGBDBM15359((4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14-...)
ITC DataΔG°: -7.69kcal/mole −TΔS°: -1.48kcal/mole ΔH°: -6.21kcal/mole logk: 7.50E+5
pH: 8.0 T: 15.00°C 
CellHeat Shock Protein 90 (Hsp90)(Saccharomyces cerevisiae (Baker s yeast))
University College London

SyringePNGBDBM15359((4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14-...)
ITC DataΔG°: -7.67kcal/mole −TΔS°: -1.17kcal/mole ΔH°: -6.50kcal/mole logk: 5.40E+5
pH: 8.0 T: 20.00°C 
CellHeat Shock Protein 90 (Hsp90)(Saccharomyces cerevisiae (Baker s yeast))
University College London

SyringePNGBDBM15359((4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14-...)
ITC DataΔG°: -7.62kcal/mole −TΔS°: -0.768kcal/mole ΔH°: -6.85kcal/mole logk: 3.20E+5
pH: 8.0 T: 30.00°C