BDBM20732 (4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14,19-trimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl carbamate::BODIPY-labeled Geldanamycin::CHEMBL278315::GM-BODIPY::Geldanamycin::geldanomycin

SMILES CO[C@H]1CC(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)c2OC

InChI Key InChIKey=DKGJFBKYLFXAAJ-CBQXVVQCSA-N

Data  12 IC50  5 Kd  1 EC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 20732   

TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
Wyeth Research

LigandPNGBDBM20732((4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14,...)
Affinity DataIC50:  20nMpH: 7.3 T: 2°CAssay Description:Compounds were assayed over a threefold dilution series in a 96-well plate format to determine IC50 values. The reaction was allowed to proceed with ...More data for this Ligand-Target Pair
TargetHeat shock protein HSP 90-beta(Homo sapiens (Human))
Seoul National University

Curated by ChEMBL
LigandPNGBDBM20732((4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14,...)
Affinity DataIC50:  348nMAssay Description:Inhibition of HSP90 using VER-00045864 probe by fluorescence polarization assayMore data for this Ligand-Target Pair
TargetATP-dependent molecular chaperone HSP82(Saccharomyces cerevisiae)
Seoul National University

Curated by ChEMBL
LigandPNGBDBM20732((4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14,...)
Affinity DataIC50:  2.30E+3nMAssay Description:Inhibition of yeast Hsp90 ATPase activity by ATPase assay using malachite malachite green colorimetric methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
Wyeth Research

LigandPNGBDBM20732((4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14,...)
Affinity DataIC50:  40nMAssay Description:Inhibition of Hsp90alpha after 3 hrs by fluorescence polarization assayMore data for this Ligand-Target Pair
TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
Wyeth Research

LigandPNGBDBM20732((4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14,...)
Affinity DataIC50:  40nMAssay Description:Inhibition of HSP90alpha after 3 hrs by fluorescence polarization binding assayMore data for this Ligand-Target Pair
TargetHeat shock protein HSP 90(Oryctolagus cuniculus)
The University Of Kansas

Curated by ChEMBL
LigandPNGBDBM20732((4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14,...)
Affinity DataIC50:  2.00E+3nMAssay Description:Inhibition of HSP90 dependent refolding of heat denatured firefly luciferase in rabbit reticulocyte lysate after 30 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
Wyeth Research

LigandPNGBDBM20732((4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14,...)
Affinity DataIC50:  40nMAssay Description:Binding affinity to HSP90alpha after 3 hrs by fluorescence polarization assayMore data for this Ligand-Target Pair
TargetHeat shock protein HSP 90-beta(Homo sapiens (Human))
Seoul National University

Curated by ChEMBL
LigandPNGBDBM20732((4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14,...)
Affinity DataKd:  1.00E+3nMAssay Description:Binding affinity to Hsp90 N-domainMore data for this Ligand-Target Pair
TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
Wyeth Research

LigandPNGBDBM20732((4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14,...)
Affinity DataKd:  775nMAssay Description:The compound was tested for binding affinity against isolated N-domain of Heat shock protein HSP 90More data for this Ligand-Target Pair
TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
Wyeth Research

LigandPNGBDBM20732((4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14,...)
Affinity DataKd:  1.22E+3nMAssay Description:The compound was tested for binding affinity against yeast Heat shock protein HSP 90More data for this Ligand-Target Pair
TargetHeat shock protein 75 kDa, mitochondrial(Homo sapiens (Human))
Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL
LigandPNGBDBM20732((4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14,...)
Affinity DataIC50:  661nMAssay Description:Displacement of 5-(3-(3-(6-amino-8-(6-iodobenzo[d][1,3]dioxol-5-ylthio)-9H-purin-9-yl)propyl)thioureido)-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic a...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEndoplasmin(Canis familiaris)
Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL
LigandPNGBDBM20732((4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14,...)
Affinity DataIC50:  10nMAssay Description:Displacement of 5-(3-(3-(6-amino-8-(6-iodobenzo[d][1,3]dioxol-5-ylthio)-9H-purin-9-yl)propyl)thioureido)-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic a...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHeat shock protein HSP 90-beta(Homo sapiens (Human))
Seoul National University

Curated by ChEMBL
LigandPNGBDBM20732((4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14,...)
Affinity DataKd:  670nMAssay Description:Binding affinity to human recombinant HSP90More data for this Ligand-Target Pair
TargetHeat shock protein HSP 90-beta(Homo sapiens (Human))
Seoul National University

Curated by ChEMBL
LigandPNGBDBM20732((4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14,...)
Affinity DataIC50:  20nMAssay Description:Binding affinity to Hsp90 by fluorescence polarization assayMore data for this Ligand-Target Pair
TargetATP-dependent molecular chaperone HSP82(Saccharomyces cerevisiae)
Seoul National University

Curated by ChEMBL
LigandPNGBDBM20732((4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14,...)
Affinity DataKd:  1.20E+3nMAssay Description:Binding affinity to N-terminal ATP/ADP-binding domain of yeast Hsp90More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-dependent molecular chaperone HSP82(Saccharomyces cerevisiae)
Seoul National University

Curated by ChEMBL
LigandPNGBDBM20732((4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14,...)
Affinity DataIC50:  4.80E+3nMAssay Description:Inhibition of yeast Hsp90 ATPase activityMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-dependent molecular chaperone HSP82(Saccharomyces cerevisiae)
Seoul National University

Curated by ChEMBL
LigandPNGBDBM20732((4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14,...)
Affinity DataIC50:  4.80E+3nMAssay Description:Inhibition of yeast Hsp90 ATPase activityMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHeat shock protein HSP 90-alpha/90-beta(Homo sapiens (Human))
Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL
LigandPNGBDBM20732((4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14,...)
Affinity DataEC50:  35nMAssay Description:Displacement of GM-BODIPY from Hsp90More data for this Ligand-Target Pair