Compile Data Set for Download or QSAR
Found 26 Enz. Inhib. hit(s) with all data for entry = 50043346
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,...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2PN972KPubMed
TargetEndoplasmin(Canis familiaris)
Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL
LigandPNGBDBM50439621(GANETESPIB | STA-9090)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2PN972KPubMed
TargetEndoplasmin(Canis familiaris)
Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL
LigandPNGBDBM20926(5-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-N-ethyl-4-...)copy SMILEScopy InChI
Affinity DataIC50: 12nMAssay 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 Article
BindingDB Entry DOI: 10.7270/Q2PN972KPubMed
TargetEndoplasmin(Canis familiaris)
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 DataIC50: 30nMAssay 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 Article
BindingDB Entry DOI: 10.7270/Q2PN972KPubMed
TargetEndoplasmin(Canis familiaris)
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: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 Article
BindingDB Entry DOI: 10.7270/Q2PN972KPubMed
TargetHeat shock protein 75 kDa, mitochondrial(Homo sapiens (Human))
Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL
LigandPNGBDBM20926(5-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-N-ethyl-4-...)copy SMILEScopy InChI
Affinity DataIC50: 38nMAssay 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 Article
BindingDB Entry DOI: 10.7270/Q2PN972KPubMed
TargetHeat shock protein 75 kDa, mitochondrial(Homo sapiens (Human))
Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL
LigandPNGBDBM50439621(GANETESPIB | STA-9090)copy SMILEScopy InChI
Affinity DataIC50: 51nMAssay 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 Article
BindingDB Entry DOI: 10.7270/Q2PN972KPubMed
TargetHeat shock protein 75 kDa, mitochondrial(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: 90nMAssay 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
TargetEndoplasmin(Canis familiaris)
Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL
LigandPNGBDBM20800(2-amino-6-halopurine analogue, 20 | 6-chloro-9-[(4...)copy SMILEScopy InChI
Affinity DataIC50: 124nMAssay 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 Article
BindingDB Entry DOI: 10.7270/Q2PN972KPubMed
TargetEndoplasmin(Canis familiaris)
Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL
LigandPNGBDBM50439622(CHEMBL2419346 | US10035797, Compound 111 | US10428...)copy SMILEScopy InChI
Affinity DataIC50: 190nMAssay 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 Article
BindingDB Entry DOI: 10.7270/Q2PN972KPubMed
TargetHeat shock protein 75 kDa, mitochondrial(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 DataIC50: 205nMAssay 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
TargetEndoplasmin(Canis familiaris)
Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL
LigandPNGBDBM50378702(CHEMBL560895 | SNX-2112)copy SMILEScopy InChI
Affinity DataIC50: 578nMAssay 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 Article
BindingDB Entry DOI: 10.7270/Q2PN972KPubMed
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,...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2PN972KPubMed
TargetHeat shock protein 75 kDa, mitochondrial(Homo sapiens (Human))
Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL
LigandPNGBDBM50378702(CHEMBL560895 | SNX-2112)copy SMILEScopy InChI
Affinity DataIC50: 726nMAssay 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 Article
BindingDB Entry DOI: 10.7270/Q2PN972KPubMed
TargetHeat shock protein 75 kDa, mitochondrial(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: 1.50E+3nMAssay 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 Article
BindingDB Entry DOI: 10.7270/Q2PN972KPubMed
TargetHeat shock protein 75 kDa, mitochondrial(Homo sapiens (Human))
Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL
LigandPNGBDBM50439622(CHEMBL2419346 | US10035797, Compound 111 | US10428...)copy SMILEScopy InChI
Affinity DataIC50: 1.59E+3nMAssay 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 Article
BindingDB Entry DOI: 10.7270/Q2PN972KPubMed
TargetEndoplasmin(Canis familiaris)
Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL
LigandPNGBDBM50366480(ADENOSINE TRIPHOSPHATE | ATP)copy SMILEScopy InChI
Affinity DataIC50: 3.24E+3nMAssay 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
TargetEndoplasmin(Canis familiaris)
Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL
LigandPNGBDBM50368125(ADENOSINE DIPHOSPHATE | ADP)copy SMILEScopy InChI
Affinity DataIC50: 1.14E+4nMAssay 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
TargetHeat shock protein 75 kDa, mitochondrial(Homo sapiens (Human))
Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL
LigandPNGBDBM50366480(ADENOSINE TRIPHOSPHATE | ATP)copy SMILEScopy InChI
Affinity DataIC50: 3.13E+4nMAssay 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 Article
BindingDB Entry DOI: 10.7270/Q2PN972KPubMed
TargetHeat shock protein 75 kDa, mitochondrial(Homo sapiens (Human))
Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL
LigandPNGBDBM50368125(ADENOSINE DIPHOSPHATE | ADP)copy SMILEScopy InChI
Affinity DataIC50: 5.56E+4nMAssay 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
TargetHeat shock protein 75 kDa, mitochondrial(Homo sapiens (Human))
Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL
LigandPNGBDBM50439623(CHEMBL2419342)copy SMILEScopy InChI
Affinity DataKd:  5.90nMAssay Description:Binding affinity to recombinant human Trap-1 by fluorescence polarization assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2PN972KPubMed
TargetHeat shock protein 75 kDa, mitochondrial(Homo sapiens (Human))
Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL
LigandPNGBDBM50439624(CHEMBL1910764)copy SMILEScopy InChI
Affinity DataKd:  5.80nMAssay Description:Binding affinity to recombinant human Trap-1 by fluorescence polarization assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2PN972KPubMed
TargetHeat shock protein 75 kDa, mitochondrial(Homo sapiens (Human))
Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL
LigandPNGBDBM50439625(CHEMBL2419341)copy SMILEScopy InChI
Affinity DataKd:  52nMAssay Description:Binding affinity to recombinant human Trap-1 by fluorescence polarization assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2PN972KPubMed
TargetEndoplasmin(Canis familiaris)
Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL
LigandPNGBDBM50439623(CHEMBL2419342)copy SMILEScopy InChI
Affinity DataKd:  6.60nMAssay Description:Binding affinity to dog Grp94 by fluorescence polarization assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2PN972KPubMed
TargetEndoplasmin(Canis familiaris)
Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL
LigandPNGBDBM50439624(CHEMBL1910764)copy SMILEScopy InChI
Affinity DataKd:  31nMAssay Description:Binding affinity to dog Grp94 by fluorescence polarization assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2PN972KPubMed
TargetEndoplasmin(Canis familiaris)
Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL
LigandPNGBDBM50439625(CHEMBL2419341)copy SMILEScopy InChI
Affinity DataKd:  2.5nMAssay Description:Binding affinity to dog Grp94 by fluorescence polarization assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2PN972KPubMed