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Compile Data Set for Download or QSAR

Found 99 hits of ic50 data for polymerid = 1646,3984   
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 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)
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)
BDBM68256
PNG
(Microlactone, 15c)
Show SMILES C[C@@H]1C\C=C\CCCCC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1
Show InChI InChI=1S/C18H21ClO5/c1-11-7-5-3-2-4-6-8-12(20)9-13-16(18(23)24-11)14(21)10-15(22)17(13)19/h3,5,10-11,21-22H,2,4,6-9H2,1H3/b5-3+/t11-/m1/s1
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n/an/a 100n/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 (docked)
Heat Shock Protein 90 (Hsp90)


(Saccharomyces cerevisiae)
BDBM68248
PNG
(Microlactone, 15a)
Show SMILES Oc1cc(O)c2c(CC(=O)CCCC\C=C\CCOC2=O)c1Cl
Show InChI InChI=1S/C17H19ClO5/c18-16-12-9-11(19)7-5-3-1-2-4-6-8-23-17(22)15(12)13(20)10-14(16)21/h2,4,10,20-21H,1,3,5-9H2/b4-2+
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n/an/a 100n/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)
BDBM68263
PNG
(Microlactone, 15h)
Show SMILES Oc1cc(O)c2c(CC(=O)CCCCCC=CCCOC2=O)c1Cl
Show InChI InChI=1S/C18H21ClO5/c19-17-13-10-12(20)8-6-4-2-1-3-5-7-9-24-18(23)16(13)14(21)11-15(17)22/h3,5,11,21-22H,1-2,4,6-10H2
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n/an/a 100n/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)
BDBM68248
PNG
(Microlactone, 15a)
Show SMILES Oc1cc(O)c2c(CC(=O)CCCC\C=C\CCOC2=O)c1Cl
Show InChI InChI=1S/C17H19ClO5/c18-16-12-9-11(19)7-5-3-1-2-4-6-8-23-17(22)15(12)13(20)10-14(16)21/h2,4,10,20-21H,1,3,5-9H2/b4-2+
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n/an/a 120n/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)
BDBM68263
PNG
(Microlactone, 15h)
Show SMILES Oc1cc(O)c2c(CC(=O)CCCCCC=CCCOC2=O)c1Cl
Show InChI InChI=1S/C18H21ClO5/c19-17-13-10-12(20)8-6-4-2-1-3-5-7-9-24-18(23)16(13)14(21)11-15(17)22/h3,5,11,21-22H,1-2,4,6-10H2
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n/an/a 160n/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)
BDBM68264
PNG
(Microlactone, 15i)
Show SMILES C[C@@H]1CC=CCCCCCC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1
Show InChI InChI=1S/C19H23ClO5/c1-12-8-6-4-2-3-5-7-9-13(21)10-14-17(19(24)25-12)15(22)11-16(23)18(14)20/h4,6,11-12,22-23H,2-3,5,7-10H2,1H3/t12-/m1/s1
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n/an/a 160n/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
Heat Shock Protein 90 (Hsp90)


(Saccharomyces cerevisiae)
BDBM68250
PNG
(Microlactone, 15b)
Show SMILES CC1C\C=C\CCCCC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1
Show InChI InChI=1S/C18H21ClO5/c1-11-7-5-3-2-4-6-8-12(20)9-13-16(18(23)24-11)14(21)10-15(22)17(13)19/h3,5,10-11,21-22H,2,4,6-9H2,1H3/b5-3+
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n/an/a 160n/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 (docked)
Heat Shock Protein 90 (Hsp90)


(Saccharomyces cerevisiae)
BDBM68249
PNG
(Microlactone, 16a)
Show SMILES Oc1cc(O)c2c(CC(=O)CCCC[C@H]3O[C@@H]3CCOC2=O)c1Cl
Show InChI InChI=1S/C17H19ClO6/c18-16-10-7-9(19)3-1-2-4-13-14(24-13)5-6-23-17(22)15(10)11(20)8-12(16)21/h8,13-14,20-21H,1-7H2/t13-,14-/m1/s1
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n/an/a 190n/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
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)
BDBM68264
PNG
(Microlactone, 15i)
Show SMILES C[C@@H]1CC=CCCCCCC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1
Show InChI InChI=1S/C19H23ClO5/c1-12-8-6-4-2-3-5-7-9-13(21)10-14-17(19(24)25-12)15(22)11-16(23)18(14)20/h4,6,11-12,22-23H,2-3,5,7-10H2,1H3/t12-/m1/s1
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n/an/a 220n/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
Heat Shock Protein 90 (Hsp90)


(Saccharomyces cerevisiae)
BDBM68266
PNG
(Microlactone, 15j)
Show SMILES Oc1cc(O)c2c(CC(=O)CCCCCCC=CCCOC2=O)c1Cl
Show InChI InChI=1S/C19H23ClO5/c20-18-14-11-13(21)9-7-5-3-1-2-4-6-8-10-25-19(24)17(14)15(22)12-16(18)23/h4,6,12,22-23H,1-3,5,7-11H2
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n/an/a 240n/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 (docked)
Heat Shock Protein 90 (Hsp90)


(Saccharomyces cerevisiae)
BDBM68251
PNG
(Microlactone, 16b)
Show SMILES CC1C[C@H]2O[C@@H]2CCCCC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1
Show InChI InChI=1S/C18H21ClO6/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/h8-9,14-15,21-22H,2-7H2,1H3/t9?,14-,15-/m1/s1
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n/an/a 250n/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
Heat Shock Protein 90 (Hsp90)


(Saccharomyces cerevisiae)
BDBM68250
PNG
(Microlactone, 15b)
Show SMILES CC1C\C=C\CCCCC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1
Show InChI InChI=1S/C18H21ClO5/c1-11-7-5-3-2-4-6-8-12(20)9-13-16(18(23)24-11)14(21)10-15(22)17(13)19/h3,5,10-11,21-22H,2,4,6-9H2,1H3/b5-3+
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n/an/a 310n/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 (docked)
Heat Shock Protein 90 (Hsp90)


(Saccharomyces cerevisiae)
BDBM68249
PNG
(Microlactone, 16a)
Show SMILES Oc1cc(O)c2c(CC(=O)CCCC[C@H]3O[C@@H]3CCOC2=O)c1Cl
Show InChI InChI=1S/C17H19ClO6/c18-16-10-7-9(19)3-1-2-4-13-14(24-13)5-6-23-17(22)15(10)11(20)8-12(16)21/h8,13-14,20-21H,1-7H2/t13-,14-/m1/s1
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n/an/a 310n/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
Heat Shock Protein 90 (Hsp90)


(Saccharomyces cerevisiae)
BDBM68251
PNG
(Microlactone, 16b)
Show SMILES CC1C[C@H]2O[C@@H]2CCCCC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1
Show InChI InChI=1S/C18H21ClO6/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/h8-9,14-15,21-22H,2-7H2,1H3/t9?,14-,15-/m1/s1
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n/an/a 310n/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
Heat Shock Protein 90 (Hsp90)


(Saccharomyces cerevisiae)
BDBM68255
PNG
(Microlactone, 14c)
Show SMILES C[C@@H]1C\C=C\CCCCC(=O)Cc2cc(O)cc(O)c2C(=O)O1
Show InChI InChI=1S/C18H22O5/c1-12-7-5-3-2-4-6-8-14(19)9-13-10-15(20)11-16(21)17(13)18(22)23-12/h3,5,10-12,20-21H,2,4,6-9H2,1H3/b5-3+/t12-/m1/s1
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n/an/a 500n/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
Heat Shock Protein 90 (Hsp90)


(Saccharomyces cerevisiae)
BDBM68260
PNG
(Microlactone, 15f cis)
Show SMILES Oc1cc(O)c2c(CC(=O)CCC\C=C/CCOC2=O)c1Cl
Show InChI InChI=1S/C16H17ClO5/c17-15-11-8-10(18)6-4-2-1-3-5-7-22-16(21)14(11)12(19)9-13(15)20/h1,3,9,19-20H,2,4-8H2/b3-1-
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n/an/a 500n/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)
BDBM68255
PNG
(Microlactone, 14c)
Show SMILES C[C@@H]1C\C=C\CCCCC(=O)Cc2cc(O)cc(O)c2C(=O)O1
Show InChI InChI=1S/C18H22O5/c1-12-7-5-3-2-4-6-8-14(19)9-13-10-15(20)11-16(21)17(13)18(22)23-12/h3,5,10-12,20-21H,2,4,6-9H2,1H3/b5-3+/t12-/m1/s1
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n/an/a 540n/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
Heat Shock Protein 90 (Hsp90)


(Saccharomyces cerevisiae)
BDBM68261
PNG
(Microlactone, 15f trans)
Show SMILES Oc1cc(O)c2c(CC(=O)CCC\C=C\CCOC2=O)c1Cl
Show InChI InChI=1S/C16H17ClO5/c17-15-11-8-10(18)6-4-2-1-3-5-7-22-16(21)14(11)12(19)9-13(15)20/h1,3,9,19-20H,2,4-8H2/b3-1+
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n/an/a 590n/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)
BDBM68263
PNG
(Microlactone, 15h)
Show SMILES Oc1cc(O)c2c(CC(=O)CCCCCC=CCCOC2=O)c1Cl
Show InChI InChI=1S/C18H21ClO5/c19-17-13-10-12(20)8-6-4-2-1-3-5-7-9-24-18(23)16(13)14(21)11-15(17)22/h3,5,11,21-22H,1-2,4,6-10H2
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n/an/a 760n/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)
BDBM68260
PNG
(Microlactone, 15f cis)
Show SMILES Oc1cc(O)c2c(CC(=O)CCC\C=C/CCOC2=O)c1Cl
Show InChI InChI=1S/C16H17ClO5/c17-15-11-8-10(18)6-4-2-1-3-5-7-22-16(21)14(11)12(19)9-13(15)20/h1,3,9,19-20H,2,4-8H2/b3-1-
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n/an/a 850n/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)
BDBM68266
PNG
(Microlactone, 15j)
Show SMILES Oc1cc(O)c2c(CC(=O)CCCCCCC=CCCOC2=O)c1Cl
Show InChI InChI=1S/C19H23ClO5/c20-18-14-11-13(21)9-7-5-3-1-2-4-6-8-10-25-19(24)17(14)15(22)12-16(18)23/h4,6,12,22-23H,1-3,5,7-11H2
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n/an/a 870n/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 (docked)
Heat Shock Protein 90 (Hsp90)


(Saccharomyces cerevisiae)
BDBM68256
PNG
(Microlactone, 15c)
Show SMILES C[C@@H]1C\C=C\CCCCC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1
Show InChI InChI=1S/C18H21ClO5/c1-11-7-5-3-2-4-6-8-12(20)9-13-16(18(23)24-11)14(21)10-15(22)17(13)19/h3,5,10-11,21-22H,2,4,6-9H2,1H3/b5-3+/t11-/m1/s1
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n/an/a 1.00E+3n/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 (docked)
Heat Shock Protein 90 (Hsp90)


(Saccharomyces cerevisiae)
BDBM68261
PNG
(Microlactone, 15f trans)
Show SMILES Oc1cc(O)c2c(CC(=O)CCC\C=C\CCOC2=O)c1Cl
Show InChI InChI=1S/C16H17ClO5/c17-15-11-8-10(18)6-4-2-1-3-5-7-22-16(21)14(11)12(19)9-13(15)20/h1,3,9,19-20H,2,4-8H2/b3-1+
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n/an/a 1.00E+3n/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)
BDBM68248
PNG
(Microlactone, 15a)
Show SMILES Oc1cc(O)c2c(CC(=O)CCCC\C=C\CCOC2=O)c1Cl
Show InChI InChI=1S/C17H19ClO5/c18-16-12-9-11(19)7-5-3-1-2-4-6-8-23-17(22)15(12)13(20)10-14(16)21/h2,4,10,20-21H,1,3,5-9H2/b4-2+
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n/an/a<1.00E+3n/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)
BDBM68250
PNG
(Microlactone, 15b)
Show SMILES CC1C\C=C\CCCCC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1
Show InChI InChI=1S/C18H21ClO5/c1-11-7-5-3-2-4-6-8-12(20)9-13-16(18(23)24-11)14(21)10-15(22)17(13)19/h3,5,10-11,21-22H,2,4,6-9H2,1H3/b5-3+
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n/an/a 1.00E+3n/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 (docked)
Heat Shock Protein 90 (Hsp90)


(Saccharomyces cerevisiae)
BDBM68256
PNG
(Microlactone, 15c)
Show SMILES C[C@@H]1C\C=C\CCCCC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1
Show InChI InChI=1S/C18H21ClO5/c1-11-7-5-3-2-4-6-8-12(20)9-13-16(18(23)24-11)14(21)10-15(22)17(13)19/h3,5,10-11,21-22H,2,4,6-9H2,1H3/b5-3+/t11-/m1/s1
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n/an/a<1.00E+3n/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 (docked)
Heat Shock Protein 90 (Hsp90)


(Saccharomyces cerevisiae)
BDBM68265
PNG
(Microlactone, 18)
Show SMILES Oc1c(Br)c(O)c2c(CC(=O)CCCCCC=CCCOC2=O)c1Br
Show InChI InChI=1S/C18H20Br2O5/c19-14-12-10-11(21)8-6-4-2-1-3-5-7-9-25-18(24)13(12)16(22)15(20)17(14)23/h3,5,22-23H,1-2,4,6-10H2
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n/an/a 1.10E+3n/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
Heat Shock Protein 90 (Hsp90)


(Saccharomyces cerevisiae)
BDBM68252
PNG
(Microlactone, 17)
Show SMILES CC1CCCCCCCC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1
Show InChI InChI=1S/C18H23ClO5/c1-11-7-5-3-2-4-6-8-12(20)9-13-16(18(23)24-11)14(21)10-15(22)17(13)19/h10-11,21-22H,2-9H2,1H3
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n/an/a 1.29E+3n/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 (docked)
Heat Shock Protein 90 (Hsp90)


(Saccharomyces cerevisiae)
BDBM68248
PNG
(Microlactone, 15a)
Show SMILES Oc1cc(O)c2c(CC(=O)CCCC\C=C\CCOC2=O)c1Cl
Show InChI InChI=1S/C17H19ClO5/c18-16-12-9-11(19)7-5-3-1-2-4-6-8-23-17(22)15(12)13(20)10-14(16)21/h2,4,10,20-21H,1,3,5-9H2/b4-2+
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n/an/a 1.30E+3n/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)
BDBM68250
PNG
(Microlactone, 15b)
Show SMILES CC1C\C=C\CCCCC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1
Show InChI InChI=1S/C18H21ClO5/c1-11-7-5-3-2-4-6-8-12(20)9-13-16(18(23)24-11)14(21)10-15(22)17(13)19/h3,5,10-11,21-22H,2,4,6-9H2,1H3/b5-3+
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n/an/a 1.50E+3n/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 (docked)
Heat Shock Protein 90 (Hsp90)


(Saccharomyces cerevisiae)
BDBM50409989
PNG
(CHEMBL361941)
Show SMILES Oc1cc(O)c(cc1Cl)-c1n[nH]cc1-c1ccc(cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C21H14ClFN2O2/c22-18-9-16(19(26)10-20(18)27)21-17(11-24-25-21)14-3-1-12(2-4-14)13-5-7-15(23)8-6-13/h1-11,26-27H,(H,24,25)
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n/an/a 1.55E+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
Heat Shock Protein 90 (Hsp90)


(Saccharomyces cerevisiae)
BDBM50409996
PNG
(CHEMBL191228)
Show SMILES Oc1cc(O)c(cc1Cl)-c1n[nH]cc1-c1ccc2OCCOc2c1
Show InChI InChI=1S/C17H13ClN2O4/c18-12-6-10(13(21)7-14(12)22)17-11(8-19-20-17)9-1-2-15-16(5-9)24-4-3-23-15/h1-2,5-8,21-22H,3-4H2,(H,19,20)
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n/an/a 1.60E+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
Heat Shock Protein 90 (Hsp90)


(Saccharomyces cerevisiae)
BDBM50409992
PNG
(CHEMBL364882)
Show SMILES Cc1[nH]nc(c1-c1ccccc1)-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C16H13ClN2O2/c1-9-15(10-5-3-2-4-6-10)16(19-18-9)11-7-12(17)14(21)8-13(11)20/h2-8,20-21H,1H3,(H,18,19)
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n/an/a 1.65E+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
Heat Shock Protein 90 (Hsp90)


(Saccharomyces cerevisiae)
BDBM68259
PNG
(Microlactone, 15e)
Show SMILES C[C@@H]1CCC=CCCCC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1
Show InChI InChI=1S/C18H21ClO5/c1-11-7-5-3-2-4-6-8-12(20)9-13-16(18(23)24-11)14(21)10-15(22)17(13)19/h2-3,10-11,21-22H,4-9H2,1H3/t11-/m1/s1
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n/an/a 1.90E+3n/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 (docked)
Heat Shock Protein 90 (Hsp90)


(Saccharomyces cerevisiae)
BDBM68251
PNG
(Microlactone, 16b)
Show SMILES CC1C[C@H]2O[C@@H]2CCCCC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1
Show InChI InChI=1S/C18H21ClO6/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/h8-9,14-15,21-22H,2-7H2,1H3/t9?,14-,15-/m1/s1
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n/an/a 1.90E+3n/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
Heat Shock Protein 90 (Hsp90)


(Saccharomyces cerevisiae)
BDBM68258
PNG
(Microlactone, 19)
Show SMILES C[C@H](CC=C)OC(=O)c1c(O)cc(O)c(Cl)c1CC(=O)CCCCC=C
Show InChI InChI=1S/C20H25ClO5/c1-4-6-7-8-10-14(22)11-15-18(16(23)12-17(24)19(15)21)20(25)26-13(3)9-5-2/h4-5,12-13,23-24H,1-2,6-11H2,3H3/t13-/m1/s1
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n/an/a 2.10E+3n/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 (docked)
Heat Shock Protein 90 (Hsp90)


(Saccharomyces cerevisiae)
BDBM68249
PNG
(Microlactone, 16a)
Show SMILES Oc1cc(O)c2c(CC(=O)CCCC[C@H]3O[C@@H]3CCOC2=O)c1Cl
Show InChI InChI=1S/C17H19ClO6/c18-16-10-7-9(19)3-1-2-4-13-14(24-13)5-6-23-17(22)15(10)11(20)8-12(16)21/h8,13-14,20-21H,1-7H2/t13-,14-/m1/s1
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n/an/a 2.10E+3n/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
Heat Shock Protein 90 (Hsp90)


(Saccharomyces cerevisiae)
BDBM20732
PNG
((4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14,...)
Show 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
Show InChI InChI=1S/C29H40N2O9/c1-15-11-19-25(34)20(14-21(32)27(19)39-7)31-28(35)16(2)9-8-10-22(37-5)26(40-29(30)36)18(4)13-17(3)24(33)23(12-15)38-6/h8-11,13-14,17,22-24,26,32-34H,12H2,1-7H3,(H2,30,36)(H,31,35)/b10-8?,15-11?,16-9?,18-13+/t17-,22-,23-,24+,26-/m0/s1
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n/an/a 2.30E+3n/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
3D
3D Structure (docked)
Heat Shock Protein 90 (Hsp90)


(Saccharomyces cerevisiae)
BDBM50409990
PNG
(CHEMBL190249)
Show SMILES COc1ccc(cc1OC)-c1c[nH]nc1-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C17H15ClN2O4/c1-23-15-4-3-9(5-16(15)24-2)11-8-19-20-17(11)10-6-12(18)14(22)7-13(10)21/h3-8,21-22H,1-2H3,(H,19,20)
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n/an/a 2.40E+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
Heat Shock Protein 90 (Hsp90)


(Saccharomyces cerevisiae)
BDBM50409994
PNG
(CHEMBL188495)
Show SMILES Oc1cc(O)c(cc1Cl)-c1n[nH]cc1-c1cccc(OCCCC#N)c1
Show InChI InChI=1S/C19H16ClN3O3/c20-16-9-14(17(24)10-18(16)25)19-15(11-22-23-19)12-4-3-5-13(8-12)26-7-2-1-6-21/h3-5,8-11,24-25H,1-2,7H2,(H,22,23)
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n/an/a 2.40E+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
Heat Shock Protein 90 (Hsp90)


(Saccharomyces cerevisiae)
BDBM68260
PNG
(Microlactone, 15f cis)
Show SMILES Oc1cc(O)c2c(CC(=O)CCC\C=C/CCOC2=O)c1Cl
Show InChI InChI=1S/C16H17ClO5/c17-15-11-8-10(18)6-4-2-1-3-5-7-22-16(21)14(11)12(19)9-13(15)20/h1,3,9,19-20H,2,4-8H2/b3-1-
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n/an/a 2.40E+3n/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)
BDBM68249
PNG
(Microlactone, 16a)
Show SMILES Oc1cc(O)c2c(CC(=O)CCCC[C@H]3O[C@@H]3CCOC2=O)c1Cl
Show InChI InChI=1S/C17H19ClO6/c18-16-10-7-9(19)3-1-2-4-13-14(24-13)5-6-23-17(22)15(10)11(20)8-12(16)21/h8,13-14,20-21H,1-7H2/t13-,14-/m1/s1
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n/an/a 2.50E+3n/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
Heat Shock Protein 90 (Hsp90)


(Saccharomyces cerevisiae)
BDBM68265
PNG
(Microlactone, 18)
Show SMILES Oc1c(Br)c(O)c2c(CC(=O)CCCCCC=CCCOC2=O)c1Br
Show InChI InChI=1S/C18H20Br2O5/c19-14-12-10-11(21)8-6-4-2-1-3-5-7-9-25-18(24)13(12)16(22)15(20)17(14)23/h3,5,22-23H,1-2,4,6-10H2
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n/an/a 2.63E+3n/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
Heat Shock Protein 90 (Hsp90)


(Saccharomyces cerevisiae)
BDBM68258
PNG
(Microlactone, 19)
Show SMILES C[C@H](CC=C)OC(=O)c1c(O)cc(O)c(Cl)c1CC(=O)CCCCC=C
Show InChI InChI=1S/C20H25ClO5/c1-4-6-7-8-10-14(22)11-15-18(16(23)12-17(24)19(15)21)20(25)26-13(3)9-5-2/h4-5,12-13,23-24H,1-2,6-11H2,3H3/t13-/m1/s1
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n/an/a 2.90E+3n/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 (docked)
Heat Shock Protein 90 (Hsp90)


(Saccharomyces cerevisiae)
BDBM68255
PNG
(Microlactone, 14c)
Show SMILES C[C@@H]1C\C=C\CCCCC(=O)Cc2cc(O)cc(O)c2C(=O)O1
Show InChI InChI=1S/C18H22O5/c1-12-7-5-3-2-4-6-8-14(19)9-13-10-15(20)11-16(21)17(13)18(22)23-12/h3,5,10-12,20-21H,2,4,6-9H2,1H3/b5-3+/t12-/m1/s1
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n/an/a 3.20E+3n/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
Heat Shock Protein 90 (Hsp90)


(Saccharomyces cerevisiae)
BDBM68252
PNG
(Microlactone, 17)
Show SMILES CC1CCCCCCCC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1
Show InChI InChI=1S/C18H23ClO5/c1-11-7-5-3-2-4-6-8-12(20)9-13-16(18(23)24-11)14(21)10-15(22)17(13)19/h10-11,21-22H,2-9H2,1H3
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n/an/a 3.23E+3n/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 (docked)
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