Compile Data Set for Download or QSAR
Found 45 Enz. Inhib. hit(s) with all data for entry = 50038834
TargetHeat shock protein HSP 90-beta(Homo sapiens (Human))
Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL
LigandPNGBDBM50266103((E)-3-(2-((2-amino-6-methylpyrimidin-4-yl)ethynyl)...)copy SMILEScopy InChI
Affinity DataKi:  4.00E+3nMAssay Description:Binding affinity to Hsp90 by fluorescence polarization assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2T72JCSPubMed
TargetHeat shock protein HSP 90-beta(Homo sapiens (Human))
Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL
LigandPNGBDBM20751(9-[3-(tert-butylamino)propyl]-8-[(2-iodo-5-methoxy...)copy SMILEScopy InChI
Affinity DataIC50: 14nMAssay Description:Inhibition of Hsp90 in human MCF7 cells assessed as Her2 degradationMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2T72JCSPubMed
TargetHeat shock protein HSP 90-beta(Homo sapiens (Human))
Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL
LigandPNGBDBM15359((4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14-...)copy SMILEScopy InChI
Affinity DataIC50: 15nMAssay Description:Inhibition of Hsp90 in human MCF7 cells assessed as Her2 degradationMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2T72JCSPubMed
TargetHeat shock protein HSP 90-beta(Homo sapiens (Human))
Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL
LigandPNGBDBM50347503(RADICICOL)copy SMILEScopy InChI
Affinity DataIC50: 20nMAssay Description:Inhibition of Hsp90More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2T72JCSPubMed
TargetHeat shock protein HSP 90-beta(Homo sapiens (Human))
Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL
LigandPNGBDBM20799(2-amino-6-halopurine analogue, 16 | 6-chloro-9-[(5...)copy SMILEScopy InChI
Affinity DataIC50: 20nMAssay Description:Inhibition of Hsp90 assessed as Her2 degradation by cell based assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2T72JCSPubMed
TargetHeat shock protein HSP 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,...)copy SMILEScopy InChI
Affinity DataIC50: 20nMAssay Description:Binding affinity to Hsp90 by fluorescence polarization assayMore data for this Ligand-Target Pair
TargetHeat shock protein HSP 90-beta(Homo sapiens (Human))
Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL
LigandPNGBDBM15372(3-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-(4-meth...)copy SMILEScopy InChI
Affinity DataIC50: 25nMAssay Description:Binding affinity to Hsp90 by fluorescence polarization assayMore data for this Ligand-Target Pair
TargetHeat shock protein HSP 90-beta(Homo sapiens (Human))
Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL
LigandPNGBDBM20783(CHEMBL212133 | Pyridothiazole analogue, 27 | dieth...)copy SMILEScopy InChI
Affinity DataIC50: 28nMAssay Description:Inhibition of Hsp90 in human MCF7 cells assessed as Her2 degradationMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2T72JCSPubMed
TargetHeat shock protein HSP 90-beta(Homo sapiens (Human))
Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL
LigandPNGBDBM20899(5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-(4-meth...)copy SMILEScopy InChI
Affinity DataIC50: 28nMAssay Description:Binding affinity to Hsp90 by fluorescence polarization assayMore data for this Ligand-Target Pair
TargetHeat shock protein HSP 90-beta(Homo sapiens (Human))
Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL
LigandPNGBDBM20771(Benzothiazole analogue, 24 | CHEMBL377371 | diethy...)copy SMILEScopy InChI
Affinity DataIC50: 30nMAssay Description:Inhibition of Hsp90 in human MCF7 cells assessed as Her2 degradationMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2T72JCSPubMed
TargetHeat shock protein HSP 90-beta(Homo sapiens (Human))
Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL
LigandPNGBDBM20785(CHEMBL212850 | Pyridothiazole analogue, 29 | dieth...)copy SMILEScopy InChI
Affinity DataIC50: 30nMAssay Description:Inhibition of Hsp90 in human MCF7 cells assessed as Her2 degradationMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2T72JCSPubMed
TargetHeat shock protein HSP 90-beta(Homo sapiens (Human))
Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL
LigandPNGBDBM20800(2-amino-6-halopurine analogue, 20 | 6-chloro-9-[(4...)copy SMILEScopy InChI
Affinity DataIC50: 30nMAssay Description:Inhibition of Hsp90 assessed as Her2 degradation by cell based assayMore data for this Ligand-Target Pair
TargetHeat shock protein HSP 90-beta(Homo sapiens (Human))
Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL
LigandPNGBDBM20739(4-chloro-6-(5-{[2-(morpholin-4-yl)ethyl]amino}-1,2...)copy SMILEScopy InChI
Affinity DataIC50: 30nMAssay Description:Binding affinity to Hsp90 by fluorescence polarization assayMore data for this Ligand-Target Pair
TargetReceptor tyrosine-protein kinase erbB-2(Homo sapiens (Human))
Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL
LigandPNGBDBM15359((4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14-...)copy SMILEScopy InChI
Affinity DataIC50: 31nMAssay Description:Inhibition of Her2 in human SKBR3 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2T72JCSPubMed
TargetHeat shock protein HSP 90-beta(Homo sapiens (Human))
Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL
LigandPNGBDBM15359((4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14-...)copy SMILEScopy InChI
Affinity DataIC50: 33nMAssay Description:Binding affinity to Hsp90 in human SKBR3 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2T72JCSPubMed
TargetHeat shock protein HSP 90-beta(Homo sapiens (Human))
Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL
LigandPNGBDBM50265817(CHEMBL526127 | Pochonin D)copy SMILEScopy InChI
Affinity DataIC50: 80nMAssay Description:Inhibition of Hsp90More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2T72JCSPubMed
TargetHeat shock protein HSP 90-beta(Homo sapiens (Human))
Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL
LigandPNGBDBM50180301(2-FLUORO-8-[(6-IODO-1,3-BENZODIOXOL-5-YL)METHYL]-9...)copy SMILEScopy InChI
Affinity DataIC50: 90nMAssay Description:Inhibition of Hsp90 in human SKBR3 cells assessed as Her2 degradationMore data for this Ligand-Target Pair
TargetHeat shock protein HSP 90-beta(Homo sapiens (Human))
Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL
LigandPNGBDBM32019((11S)-11-methyl-15,17-bis(oxidanyl)-12-oxabicyclo[...)copy SMILEScopy InChI
Affinity DataIC50: 90nMAssay Description:Inhibition of Hsp90More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2T72JCSPubMed
TargetHeat shock protein HSP 90-beta(Homo sapiens (Human))
Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL
LigandPNGBDBM50378021(POCHONIN A)copy SMILEScopy InChI
Affinity DataIC50: 90nMAssay Description:Inhibition of Hsp90More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2T72JCSPubMed
TargetHeat shock protein HSP 90-beta(Homo sapiens (Human))
Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL
LigandPNGBDBM20753(9-{2-[(2,2-dimethylpropyl)amino]ethyl}-8-[(2-iodo-...)copy SMILEScopy InChI
Affinity DataIC50: 90nMAssay Description:Inhibition of Hsp90 in human MCF7 cells assessed as Her2 degradationMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2T72JCSPubMed
TargetHeat shock protein HSP 90-beta(Homo sapiens (Human))
Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL
LigandPNGBDBM20779(8-[(7-chloro-1,3-benzothiazol-2-yl)sulfanyl]-9-[2-...)copy SMILEScopy InChI
Affinity DataIC50: 110nMAssay Description:Inhibition of Hsp90 in human MCF7 cells assessed as Her2 degradationMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2T72JCSPubMed
TargetHeat shock protein HSP 90-beta(Homo sapiens (Human))
Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL
LigandPNGBDBM20778(8-[(7-chloro-1,3-benzothiazol-2-yl)sulfanyl]-9-{2-...)copy SMILEScopy InChI
Affinity DataIC50: 110nMAssay Description:Inhibition of Hsp90 in human MCF7 cells assessed as Her2 degradationMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2T72JCSPubMed
TargetHeat shock protein HSP 90-beta(Homo sapiens (Human))
Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL
LigandPNGBDBM20758(9-butyl-8-[(7-chloro-1,3-benzothiazol-2-yl)sulfany...)copy SMILEScopy InChI
Affinity DataIC50: 180nMAssay Description:Inhibition of Hsp90 in human MCF7 cells assessed as Her2 degradationMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2T72JCSPubMed
TargetHeat shock protein HSP 90-beta(Homo sapiens (Human))
Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL
LigandPNGBDBM15393(3-(5-chloro-2,4-dihydroxyphenyl)-N-(4-acetylphenyl...)copy SMILEScopy InChI
Affinity DataIC50: 258nMAssay Description:Inhibition of Hsp90More data for this Ligand-Target Pair
TargetHeat shock protein HSP 90-beta(Homo sapiens (Human))
Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL
LigandPNGBDBM20745(8-Sulfanyladenine | 8-[(2-iodo-5-methoxyphenyl)sul...)copy SMILEScopy InChI
Affinity DataIC50: 280nMAssay Description:Inhibition of Hsp90 assessed as Her2 degradation by cell based assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2T72JCSPubMed
TargetHeat shock protein HSP 90-beta(Homo sapiens (Human))
Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL
LigandPNGBDBM50165272(8-(6-Bromo-benzo[1,3]dioxol-5-ylsulfanyl)-9-pent-4...)copy SMILEScopy InChI
Affinity DataIC50: 300nMAssay Description:Inhibition of Hsp90 in human SKBR3 cells assessed as Her2 degradationMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2T72JCSPubMed
TargetHeat shock protein HSP 90-beta(Homo sapiens (Human))
Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL
LigandPNGBDBM15399(3-(5-chloro-2,4-dihydroxyphenyl)-N-[(4-sulfamoylph...)copy SMILEScopy InChI
Affinity DataIC50: 461nMAssay Description:Inhibition of Hsp90More data for this Ligand-Target Pair
TargetHeat shock protein HSP 90-beta(Homo sapiens (Human))
Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL
LigandPNGBDBM20882(4-[4-(4-benzylpiperazin-1-yl)-1H-pyrazol-3-yl]-6-c...)copy SMILEScopy InChI
Affinity DataIC50: 600nMAssay Description:Binding affinity to Hsp90 by fluorescence polarization assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2T72JCSPubMed
TargetHeat shock protein HSP 90-beta(Homo sapiens (Human))
Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL
LigandPNGBDBM15408(2,5-dichloro-N-[4-hydroxy-3-(2-hydroxynaphthalen-1...)copy SMILEScopy InChI
Affinity DataIC50: 700nMAssay Description:Binding affinity to Hsp90 by fluorescence polarization assayMore data for this Ligand-Target Pair
TargetHeat shock protein HSP 90-beta(Homo sapiens (Human))
Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL
LigandPNGBDBM50182712(4-(4-(4-(4-(methylsulfonyl)benzyl)piperazin-1-yl)-...)copy SMILEScopy InChI
Affinity DataIC50: 740nMAssay Description:Binding affinity to Hsp90 by fluorescence polarization assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2T72JCSPubMed
TargetHeat shock protein HSP 90-beta(Homo sapiens (Human))
Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL
LigandPNGBDBM15374(9-butyl-8-(3,4,5-trimethoxybenzyl)-9H-purin-6-amin...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of Hsp90 in human MCF7 cells assessed as Her2 degradationMore data for this Ligand-Target Pair
TargetATP-dependent molecular chaperone HSP82(Saccharomyces cerevisiae)
Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL
LigandPNGBDBM15362(4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1...)copy SMILEScopy InChI
Affinity DataIC50: 8.90E+3nMAssay Description:Binding affinity to yeast Hsp90 ATPase activityMore data for this Ligand-Target Pair
TargetHeat shock protein HSP 90-beta(Homo sapiens (Human))
Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL
LigandPNGBDBM32028((4Z)-3-hydroxy-4-[4-(2-methyl-1,3-thiazol-4-yl)-5-...)copy SMILEScopy InChI
Affinity DataIC50: 9.00E+3nMAssay Description:Inhibition of Hsp90More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2T72JCSPubMed
TargetHeat shock protein HSP 90-beta(Homo sapiens (Human))
Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL
LigandPNGBDBM50266102((E)-2-(2-hydroxy-3-methoxystyryl)-3-(4-methoxyphen...)copy SMILEScopy InChI
Affinity DataIC50: 2.00E+4nMAssay Description:Binding affinity to Hsp90 ATPase activity in human MCF7 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2T72JCSPubMed
TargetHeat shock protein HSP 90-beta(Homo sapiens (Human))
Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL
LigandPNGBDBM50233854(CHEMBL267159 | Carbamic acid (4E,10E)-(8S,9S,12S,1...)copy SMILEScopy InChI
Affinity DataKd:  16nMAssay Description:Binding affinity to Hsp90 in human SKBR3 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2T72JCSPubMed
TargetHeat shock protein HSP 90-beta(Homo sapiens (Human))
Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL
LigandPNGBDBM50180301(2-FLUORO-8-[(6-IODO-1,3-BENZODIOXOL-5-YL)METHYL]-9...)copy SMILEScopy InChI
Affinity DataEC50:  22nMAssay Description:Binding affinity to Hsp90 by fluorescence polarization assayMore data for this Ligand-Target Pair
TargetHeat shock protein HSP 90-beta(Homo sapiens (Human))
Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL
LigandPNGBDBM50180302(8-(6-iodo-benzo[1,3]dioxol-5-ylsulfanyl)-9-(3-isop...)copy SMILEScopy InChI
Affinity DataEC50:  16nMAssay Description:Inhibition of Hsp90More data for this Ligand-Target Pair
TargetHeat shock protein HSP 90-beta(Homo sapiens (Human))
Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL
LigandPNGBDBM50180302(8-(6-iodo-benzo[1,3]dioxol-5-ylsulfanyl)-9-(3-isop...)copy SMILEScopy InChI
Affinity DataEC50:  50nMAssay Description:Inhibition of Hsp90 in human SKBR3 cells assessed as Her2 degradationMore data for this Ligand-Target Pair
TargetHeat shock protein HSP 90-beta(Homo sapiens (Human))
Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL
LigandPNGBDBM50165272(8-(6-Bromo-benzo[1,3]dioxol-5-ylsulfanyl)-9-pent-4...)copy SMILEScopy InChI
Affinity DataEC50:  30nMAssay Description:Inhibition of Hsp90More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2T72JCSPubMed
TargetATP-dependent molecular chaperone HSP82(Saccharomyces cerevisiae)
Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL
LigandPNGBDBM20732((4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14,...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2T72JCSPubMed
TargetHeat shock protein HSP 90-beta(Homo sapiens (Human))
Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL
LigandPNGBDBM50161651(4-(1H-IMIDAZOL-4-YL)-3-(5-ETHYL-2,4-DIHYDROXY-PHEN...)copy SMILEScopy InChI
Affinity DataKd:  280nMAssay Description:Inhibition of Hsp90 by surface plasmon resonance assayMore data for this Ligand-Target Pair
TargetHeat shock protein HSP 90-beta(Homo sapiens (Human))
Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL
LigandPNGBDBM50161650(4-(1,3-BENZODIOXOL-5-YL)-5-(5-ETHYL-2,4-DIHYDROXYP...)copy SMILEScopy InChI
Affinity DataKd:  680nMAssay Description:Inhibition of Hsp90 by surface plasmon resonance assayMore data for this Ligand-Target Pair
TargetATP-dependent molecular chaperone HSP82(Saccharomyces cerevisiae)
Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL
LigandPNGBDBM50347503(RADICICOL)copy SMILEScopy InChI
Affinity DataKd:  19nMAssay Description:Binding affinity to N-terminal ATP/ADP-binding domain of yeast Hsp90More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2T72JCSPubMed
TargetHeat shock protein HSP 90-beta(Homo sapiens (Human))
Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL
LigandPNGBDBM15374(9-butyl-8-(3,4,5-trimethoxybenzyl)-9H-purin-6-amin...)copy SMILEScopy InChI
Affinity DataEC50:  1.50E+4nMAssay Description:Inhibition of Hsp90More data for this Ligand-Target Pair
TargetHeat shock protein HSP 90-beta(Homo sapiens (Human))
Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL
LigandPNGBDBM15359((4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14-...)copy SMILEScopy InChI
Affinity DataEC50:  1.00E+3nMAssay Description:Inhibition of Hsp90More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2T72JCSPubMed