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There are 5 purchasable compounds for target: ATP-dependent molecular chaperone HSP82

Wt: 364.7
BDBM15361
Wt: 352.3
BDBM15362
Purchase
Wt: 324.3
BDBM15363
Purchase
Wt: 439.4
BDBM50296577
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Wt: 415.4
BDBM50296578
Purchase

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 15361,15362,15363,50296577,50296578   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Heat Shock Protein 90 (Hsp90)


(Saccharomyces cerevisiae)
BDBM15361
PNG
((1aR,2Z,4E,14R,15aR)-8-chloro-9,11-dihydroxy-14-me...)
Show SMILES C[C@@H]1C[C@H]2O[C@@H]2C=CC=CC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1
Show InChI InChI=1S/C18H17ClO6/c1-9-6-15-14(25-15)5-3-2-4-10(20)7-11-16(18(23)24-9)12(21)8-13(22)17(11)19/h2-5,8-9,14-15,21-22H,6-7H2,1H3/t9-,14-,15-/m1/s1
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n/an/a<200n/an/an/an/a7.437



Vernalis (R&D) Ltd



Assay Description
The HSP90 ATPase activity was determined by following the procedure of malachite green assay. The assay is based on quantitation of the green complex...


Chem Biol 11: 775-85 (2004)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Heat Shock Protein 90 (Hsp90)


(Saccharomyces cerevisiae)
BDBM15361
PNG
((1aR,2Z,4E,14R,15aR)-8-chloro-9,11-dihydroxy-14-me...)
Show SMILES C[C@@H]1C[C@H]2O[C@@H]2C=CC=CC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1
Show InChI InChI=1S/C18H17ClO6/c1-9-6-15-14(25-15)5-3-2-4-10(20)7-11-16(18(23)24-9)12(21)8-13(22)17(11)19/h2-5,8-9,14-15,21-22H,6-7H2,1H3/t9-,14-,15-/m1/s1
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n/an/a 200n/an/an/an/an/an/a



University of Nottingham



Assay Description
A colorimetric assay for the release of inorganic phosphate upon hydrolysis of ATP was used to determine the potency of Hsp 90 inhibitor against enzy...


Chem Biol 13: 1203-15 (2006)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Heat Shock Protein 90 (Hsp90)


(Saccharomyces cerevisiae)
BDBM15361
PNG
((1aR,2Z,4E,14R,15aR)-8-chloro-9,11-dihydroxy-14-me...)
Show SMILES C[C@@H]1C[C@H]2O[C@@H]2C=CC=CC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1
Show InChI InChI=1S/C18H17ClO6/c1-9-6-15-14(25-15)5-3-2-4-10(20)7-11-16(18(23)24-9)12(21)8-13(22)17(11)19/h2-5,8-9,14-15,21-22H,6-7H2,1H3/t9-,14-,15-/m1/s1
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n/an/a 47n/an/an/an/an/an/a



University of Nottingham



Assay Description
Binding competition assay with a fluorescent probe.


Chem Biol 13: 1203-15 (2006)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Heat Shock Protein 90 (Hsp90)


(Saccharomyces cerevisiae)
BDBM15361
PNG
((1aR,2Z,4E,14R,15aR)-8-chloro-9,11-dihydroxy-14-me...)
Show SMILES C[C@@H]1C[C@H]2O[C@@H]2C=CC=CC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1
Show InChI InChI=1S/C18H17ClO6/c1-9-6-15-14(25-15)5-3-2-4-10(20)7-11-16(18(23)24-9)12(21)8-13(22)17(11)19/h2-5,8-9,14-15,21-22H,6-7H2,1H3/t9-,14-,15-/m1/s1
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n/an/a 30n/an/an/an/an/an/a



University of Nottingham



Assay Description
Binding competition assay with a fluorescent probe.


Chem Biol 13: 1203-15 (2006)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Heat Shock Protein 90 (Hsp90)


(Saccharomyces cerevisiae)
BDBM15362
PNG
(4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1...)
Show SMILES CCc1cc(-c2n[nH]c(C)c2-c2ccc3OCCOc3c2)c(O)cc1O
Show InChI InChI=1S/C20H20N2O4/c1-3-12-8-14(16(24)10-15(12)23)20-19(11(2)21-22-20)13-4-5-17-18(9-13)26-7-6-25-17/h4-5,8-10,23-24H,3,6-7H2,1-2H3,(H,21,22)
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n/an/a 7.10E+3n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of yeast Hsp90 ATPase activity


Bioorg Med Chem Lett 15: 3338-43 (2005)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Heat Shock Protein 90 (Hsp90)


(Saccharomyces cerevisiae)
BDBM50296578
PNG
(2-(5-(benzo[d][1,3]dioxol-5-yl)-4-phenyl-4H-1,2,4-...)
Show SMILES O=C(CSc1nnc(-c2ccc3OCOc3c2)n1-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H17N3O3S/c27-19(16-7-3-1-4-8-16)14-30-23-25-24-22(26(23)18-9-5-2-6-10-18)17-11-12-20-21(13-17)29-15-28-20/h1-13H,14-15H2
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n/an/a 1.54E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of yeast Hsp90 ATPase activity by ATPase assay using malachite malachite green colorimetric method


Bioorg Med Chem Lett 19: 4839-42 (2009)

More data for this
Ligand-Target Pair
Heat Shock Protein 90 (Hsp90)


(Saccharomyces cerevisiae)
BDBM15362
PNG
(4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1...)
Show SMILES CCc1cc(-c2n[nH]c(C)c2-c2ccc3OCCOc3c2)c(O)cc1O
Show InChI InChI=1S/C20H20N2O4/c1-3-12-8-14(16(24)10-15(12)23)20-19(11(2)21-22-20)13-4-5-17-18(9-13)26-7-6-25-17/h4-5,8-10,23-24H,3,6-7H2,1-2H3,(H,21,22)
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n/an/a 8.90E+3n/an/an/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL


Assay Description
Binding affinity to yeast Hsp90 ATPase activity


Bioorg Med Chem 17: 2225-35 (2009)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Heat Shock Protein 90 (Hsp90)


(Saccharomyces cerevisiae)
BDBM15362
PNG
(4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1...)
Show SMILES CCc1cc(-c2n[nH]c(C)c2-c2ccc3OCCOc3c2)c(O)cc1O
Show InChI InChI=1S/C20H20N2O4/c1-3-12-8-14(16(24)10-15(12)23)20-19(11(2)21-22-20)13-4-5-17-18(9-13)26-7-6-25-17/h4-5,8-10,23-24H,3,6-7H2,1-2H3,(H,21,22)
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n/an/a 8.90E+3n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of yeast Hsp90 ATPase activity


Bioorg Med Chem Lett 15: 3338-43 (2005)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Heat Shock Protein 90 (Hsp90)


(Saccharomyces cerevisiae)
BDBM15363
PNG
(4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1...)
Show SMILES Cc1[nH]nc(c1-c1ccc2OCCOc2c1)-c1ccc(O)cc1O
Show InChI InChI=1S/C18H16N2O4/c1-10-17(11-2-5-15-16(8-11)24-7-6-23-15)18(20-19-10)13-4-3-12(21)9-14(13)22/h2-5,8-9,21-22H,6-7H2,1H3,(H,19,20)
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n/an/a 6.08E+4n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of yeast Hsp90 ATPase activity


Bioorg Med Chem Lett 15: 3338-43 (2005)

More data for this
Ligand-Target Pair
Heat Shock Protein 90 (Hsp90)


(Saccharomyces cerevisiae)
BDBM50296577
PNG
(5-((1-benzyl-1H-indol-3-yl)methylene)-1-(2-fluorop...)
Show SMILES Fc1ccccc1N1C(=O)NC(=O)\C(=C\c2cn(Cc3ccccc3)c3ccccc23)C1=O
Show InChI InChI=1S/C26H18FN3O3/c27-21-11-5-7-13-23(21)30-25(32)20(24(31)28-26(30)33)14-18-16-29(15-17-8-2-1-3-9-17)22-12-6-4-10-19(18)22/h1-14,16H,15H2,(H,28,31,33)/b20-14-
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n/an/a 2.46E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of yeast Hsp90 ATPase activity by ATPase assay using malachite malachite green colorimetric method


Bioorg Med Chem Lett 19: 4839-42 (2009)

More data for this
Ligand-Target Pair