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Compile Data Set for Download or QSAR

Found 1895 hits Enz. Inhib. hit(s) with Target = 'Heat shock protein HSP 90-alpha'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM110216
PNG
(US8618290, 33)
Show SMILES COc1cccc(n1)-c1cc(F)ccc1[C@H]1Cc2nc(N)nc(C)c2C(NOC[C@H](N)CO)=N1
Show InChI InChI=1S/C23H26FN7O3/c1-12-21-19(30-23(26)27-12)9-18(29-22(21)31-34-11-14(25)10-32)15-7-6-13(24)8-16(15)17-4-3-5-20(28-17)33-2/h3-8,14,18,32H,9-11,25H2,1-2H3,(H,29,31)(H2,26,27,30)/t14-,18-/m1/s1
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n/an/a 4n/an/an/an/a7.3n/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
An in vitro competition fluorescence polarization assay in which a test compound competes with a fluorescent probe for binding to the binding domain ...


US Patent US8618290 (2013)


BindingDB Entry DOI: 10.7270/Q2D50KM5
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
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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Article
PubMed
n/an/a 20n/an/an/an/a7.322



Wyeth Research



Assay 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 ...


J Med Chem 51: 373-5 (2008)


Article DOI: 10.1021/jm701385c
BindingDB Entry DOI: 10.7270/Q2G44NKB
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM110218
PNG
(US8618290, 37)
Show SMILES COc1cccc(n1)-c1cc(F)ccc1[C@H]1Cc2nc(N)nc(C)c2C(NOCC[C@H](C)CO)=N1
Show InChI InChI=1S/C25H29FN6O3/c1-14(13-33)9-10-35-32-24-23-15(2)28-25(27)31-21(23)12-20(30-24)17-8-7-16(26)11-18(17)19-5-4-6-22(29-19)34-3/h4-8,11,14,20,33H,9-10,12-13H2,1-3H3,(H,30,32)(H2,27,28,31)/t14-,20+/m0/s1
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n/an/a 6n/an/an/an/a7.3n/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
An in vitro competition fluorescence polarization assay in which a test compound competes with a fluorescent probe for binding to the binding domain ...


US Patent US8618290 (2013)


BindingDB Entry DOI: 10.7270/Q2D50KM5
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM110219
PNG
(US8618290, 40)
Show SMILES COc1cccc(n1)-c1cc(F)ccc1[C@H]1Cc2nc(N)nc(C)c2C(NOC[C@H]2COCCO2)=N1
Show InChI InChI=1S/C25H27FN6O4/c1-14-23-21(31-25(27)28-14)11-20(30-24(23)32-36-13-16-12-34-8-9-35-16)17-7-6-15(26)10-18(17)19-4-3-5-22(29-19)33-2/h3-7,10,16,20H,8-9,11-13H2,1-2H3,(H,30,32)(H2,27,28,31)/t16-,20-/m1/s1
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n/an/a 10n/an/an/an/a7.3n/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
An in vitro competition fluorescence polarization assay in which a test compound competes with a fluorescent probe for binding to the binding domain ...


US Patent US8618290 (2013)


BindingDB Entry DOI: 10.7270/Q2D50KM5
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM110220
PNG
(US8618290, 45)
Show SMILES CO[C@@H]1OC(CONC2=N[C@H](Cc3nc(N)nc(C)c23)c2ccc(F)cc2-c2cccc(OC)n2)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C26H29FN6O6/c1-12-21-18(32-26(28)29-12)10-17(31-24(21)33-38-11-19-22(34)23(35)25(37-3)39-19)14-8-7-13(27)9-15(14)16-5-4-6-20(30-16)36-2/h4-9,17,19,22-23,25,34-35H,10-11H2,1-3H3,(H,31,33)(H2,28,29,32)/t17-,19?,22-,23-,25-/m1/s1
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n/an/a 10n/an/an/an/a7.3n/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
An in vitro competition fluorescence polarization assay in which a test compound competes with a fluorescent probe for binding to the binding domain ...


US Patent US8618290 (2013)


BindingDB Entry DOI: 10.7270/Q2D50KM5
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM110221
PNG
(US8618290, 58)
Show SMILES COc1cccc(n1)-c1cc(F)ccc1[C@H]1Cc2nc(N)nc(C)c2C(NOC2C[C@H](O)[C@H](O)C2)=N1
Show InChI InChI=1S/C25H27FN6O4/c1-12-23-19(31-25(27)28-12)11-18(30-24(23)32-36-14-9-20(33)21(34)10-14)15-7-6-13(26)8-16(15)17-4-3-5-22(29-17)35-2/h3-8,14,18,20-21,33-34H,9-11H2,1-2H3,(H,30,32)(H2,27,28,31)/t14?,18-,20-,21+/m1/s1
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n/an/a 5n/an/an/an/a7.3n/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
An in vitro competition fluorescence polarization assay in which a test compound competes with a fluorescent probe for binding to the binding domain ...


US Patent US8618290 (2013)


BindingDB Entry DOI: 10.7270/Q2D50KM5
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM110222
PNG
(US8618290, 59)
Show SMILES COc1cccc(n1)-c1cc(F)ccc1[C@H]1Cc2nc(N)nc(C)c2C(NOCC2C[C@H](O)[C@H](O)C2)=N1
Show InChI InChI=1S/C26H29FN6O4/c1-13-24-20(32-26(28)29-13)11-19(31-25(24)33-37-12-14-8-21(34)22(35)9-14)16-7-6-15(27)10-17(16)18-4-3-5-23(30-18)36-2/h3-7,10,14,19,21-22,34-35H,8-9,11-12H2,1-2H3,(H,31,33)(H2,28,29,32)/t14?,19-,21-,22+/m1/s1
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n/an/a 8n/an/an/an/a7.3n/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
An in vitro competition fluorescence polarization assay in which a test compound competes with a fluorescent probe for binding to the binding domain ...


US Patent US8618290 (2013)


BindingDB Entry DOI: 10.7270/Q2D50KM5
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM110223
PNG
(US8618290, 61)
Show SMILES COc1cccc(n1)-c1cc(F)ccc1[C@H]1Cc2nc(N)nc(C)c2C(NO)=N1
Show InChI InChI=1S/C20H19FN6O2/c1-10-18-16(26-20(22)23-10)9-15(25-19(18)27-28)12-7-6-11(21)8-13(12)14-4-3-5-17(24-14)29-2/h3-8,15,28H,9H2,1-2H3,(H,25,27)(H2,22,23,26)/t15-/m1/s1
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n/an/a 3n/an/an/an/a7.3n/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
An in vitro competition fluorescence polarization assay in which a test compound competes with a fluorescent probe for binding to the binding domain ...


US Patent US8618290 (2013)


BindingDB Entry DOI: 10.7270/Q2D50KM5
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM110224
PNG
(US8618290, 65)
Show SMILES COc1cccc(n1)-c1cc(F)ccc1[C@H]1Cc2nc(N)nc(C)c2C(NOCC2CC[C@H](O)CC2)=N1
Show InChI InChI=1S/C27H31FN6O3/c1-15-25-23(33-27(29)30-15)13-22(32-26(25)34-37-14-16-6-9-18(35)10-7-16)19-11-8-17(28)12-20(19)21-4-3-5-24(31-21)36-2/h3-5,8,11-12,16,18,22,35H,6-7,9-10,13-14H2,1-2H3,(H,32,34)(H2,29,30,33)/t16?,18-,22-/m1/s1
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n/an/a 10n/an/an/an/a7.3n/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
An in vitro competition fluorescence polarization assay in which a test compound competes with a fluorescent probe for binding to the binding domain ...


US Patent US8618290 (2013)


BindingDB Entry DOI: 10.7270/Q2D50KM5
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM110225
PNG
(US8618290, 75)
Show SMILES COc1cccc(n1)-c1cc(F)ccc1[C@H]1Cc2nc(N)nc(C)c2C(NOCCC[C@H](O)CO)=N1
Show InChI InChI=1S/C25H29FN6O4/c1-14-23-21(31-25(27)28-14)12-20(30-24(23)32-36-10-4-5-16(34)13-33)17-9-8-15(26)11-18(17)19-6-3-7-22(29-19)35-2/h3,6-9,11,16,20,33-34H,4-5,10,12-13H2,1-2H3,(H,30,32)(H2,27,28,31)/t16-,20+/m0/s1
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n/an/a 10n/an/an/an/a7.3n/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
An in vitro competition fluorescence polarization assay in which a test compound competes with a fluorescent probe for binding to the binding domain ...


US Patent US8618290 (2013)


BindingDB Entry DOI: 10.7270/Q2D50KM5
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM110226
PNG
(US8618290, 78)
Show SMILES COc1cccc(n1)-c1cc(F)ccc1[C@H]1Cc2nc(N)nc(C)c2C(NOCCCO)=N1
Show InChI InChI=1S/C23H25FN6O3/c1-13-21-19(29-23(25)26-13)12-18(28-22(21)30-33-10-4-9-31)15-8-7-14(24)11-16(15)17-5-3-6-20(27-17)32-2/h3,5-8,11,18,31H,4,9-10,12H2,1-2H3,(H,28,30)(H2,25,26,29)/t18-/m1/s1
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n/an/a 4n/an/an/an/a7.3n/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
An in vitro competition fluorescence polarization assay in which a test compound competes with a fluorescent probe for binding to the binding domain ...


US Patent US8618290 (2013)


BindingDB Entry DOI: 10.7270/Q2D50KM5
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM110227
PNG
(US8618290, 79)
Show SMILES COc1cccc(n1)-c1cc(F)ccc1[C@H]1Cc2nc(N)nc(C)c2C(NOCCCCO)=N1
Show InChI InChI=1S/C24H27FN6O3/c1-14-22-20(30-24(26)27-14)13-19(29-23(22)31-34-11-4-3-10-32)16-9-8-15(25)12-17(16)18-6-5-7-21(28-18)33-2/h5-9,12,19,32H,3-4,10-11,13H2,1-2H3,(H,29,31)(H2,26,27,30)/t19-/m1/s1
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n/an/a 6n/an/an/an/a7.3n/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
An in vitro competition fluorescence polarization assay in which a test compound competes with a fluorescent probe for binding to the binding domain ...


US Patent US8618290 (2013)


BindingDB Entry DOI: 10.7270/Q2D50KM5
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM110228
PNG
(US8618290, 83)
Show SMILES COc1cccc(n1)-c1cc(F)ccc1[C@H]1Cc2nc(N)nc(C)c2C(NOCC(=O)N(C)C)=N1
Show InChI InChI=1S/C24H26FN7O3/c1-13-22-19(30-24(26)27-13)11-18(29-23(22)31-35-12-21(33)32(2)3)15-9-8-14(25)10-16(15)17-6-5-7-20(28-17)34-4/h5-10,18H,11-12H2,1-4H3,(H,29,31)(H2,26,27,30)/t18-/m1/s1
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n/an/a 8n/an/an/an/a7.3n/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
An in vitro competition fluorescence polarization assay in which a test compound competes with a fluorescent probe for binding to the binding domain ...


US Patent US8618290 (2013)


BindingDB Entry DOI: 10.7270/Q2D50KM5
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM110229
PNG
(US8618290, 85)
Show SMILES COc1cccc(n1)-c1cc(F)ccc1[C@H]1Cc2nc(N)nc(C)c2C(NOCC(=O)N2CC[C@@H](F)C2)=N1
Show InChI InChI=1S/C26H27F2N7O3/c1-14-24-21(33-26(29)30-14)11-20(32-25(24)34-38-13-23(36)35-9-8-16(28)12-35)17-7-6-15(27)10-18(17)19-4-3-5-22(31-19)37-2/h3-7,10,16,20H,8-9,11-13H2,1-2H3,(H,32,34)(H2,29,30,33)/t16-,20-/m1/s1
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n/an/a 4n/an/an/an/a7.3n/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
An in vitro competition fluorescence polarization assay in which a test compound competes with a fluorescent probe for binding to the binding domain ...


US Patent US8618290 (2013)


BindingDB Entry DOI: 10.7270/Q2D50KM5
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM110230
PNG
(US8618290, 93)
Show SMILES COc1cccc(n1)-c1cc(F)ccc1[C@H]1Cc2nc(N)nc(C)c2C(NO[C@@H](CCO)C(=O)N(C)C)=N1
Show InChI InChI=1S/C26H30FN7O4/c1-14-23-20(32-26(28)29-14)13-19(31-24(23)33-38-21(10-11-35)25(36)34(2)3)16-9-8-15(27)12-17(16)18-6-5-7-22(30-18)37-4/h5-9,12,19,21,35H,10-11,13H2,1-4H3,(H,31,33)(H2,28,29,32)/t19-,21+/m1/s1
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n/an/a 8n/an/an/an/a7.3n/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
An in vitro competition fluorescence polarization assay in which a test compound competes with a fluorescent probe for binding to the binding domain ...


US Patent US8618290 (2013)


BindingDB Entry DOI: 10.7270/Q2D50KM5
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM110231
PNG
(US8618290, 96)
Show SMILES COc1cccc(n1)-c1cc(F)ccc1[C@H]1Cc2nc(N)nc(C)c2C(NOCC(=O)N(C)C[C@H](O)CO)=N1
Show InChI InChI=1S/C26H30FN7O5/c1-14-24-21(32-26(28)29-14)10-20(31-25(24)33-39-13-23(37)34(2)11-16(36)12-35)17-8-7-15(27)9-18(17)19-5-4-6-22(30-19)38-3/h4-9,16,20,35-36H,10-13H2,1-3H3,(H,31,33)(H2,28,29,32)/t16-,20+/m0/s1
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n/an/a 13n/an/an/an/a7.3n/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
An in vitro competition fluorescence polarization assay in which a test compound competes with a fluorescent probe for binding to the binding domain ...


US Patent US8618290 (2013)


BindingDB Entry DOI: 10.7270/Q2D50KM5
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM110232
PNG
(US8618290, 99)
Show SMILES COc1cccc(n1)-c1cc(F)ccc1[C@H]1Cc2nc(N)nc(C)c2C(NOCC(=O)N(C)CCO)=N1
Show InChI InChI=1S/C25H28FN7O4/c1-14-23-20(31-25(27)28-14)12-19(30-24(23)32-37-13-22(35)33(2)9-10-34)16-8-7-15(26)11-17(16)18-5-4-6-21(29-18)36-3/h4-8,11,19,34H,9-10,12-13H2,1-3H3,(H,30,32)(H2,27,28,31)/t19-/m1/s1
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n/an/a 8n/an/an/an/a7.3n/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
An in vitro competition fluorescence polarization assay in which a test compound competes with a fluorescent probe for binding to the binding domain ...


US Patent US8618290 (2013)


BindingDB Entry DOI: 10.7270/Q2D50KM5
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM20731
PNG
(4-bromo-6-(6-hydroxy-1,2-benzoxazol-3-yl)benzene-1...)
Show SMILES Oc1ccc2c(noc2c1)-c1cc(Br)c(O)cc1O
Show InChI InChI=1S/C13H8BrNO4/c14-9-4-8(10(17)5-11(9)18)13-7-2-1-6(16)3-12(7)19-15-13/h1-5,16-18H
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n/an/a 190n/an/an/an/a7.322



Wyeth Research



Assay 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 ...


J Med Chem 51: 373-5 (2008)


Article DOI: 10.1021/jm701385c
BindingDB Entry DOI: 10.7270/Q2G44NKB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM20733
PNG
(4-(6-hydroxy-1,2-benzoxazol-3-yl)benzene-1,3-diol ...)
Show SMILES Oc1ccc(-c2noc3cc(O)ccc23)c(O)c1
Show InChI InChI=1S/C13H9NO4/c15-7-1-3-9(11(17)5-7)13-10-4-2-8(16)6-12(10)18-14-13/h1-6,15-17H
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n/an/a 1.52E+4n/an/an/an/a7.322



Wyeth Research



Assay 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 ...


J Med Chem 51: 373-5 (2008)


Article DOI: 10.1021/jm701385c
BindingDB Entry DOI: 10.7270/Q2G44NKB
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM20734
PNG
(4-chloro-6-(6-hydroxy-1,2-benzoxazol-3-yl)benzene-...)
Show SMILES Oc1ccc2c(noc2c1)-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C13H8ClNO4/c14-9-4-8(10(17)5-11(9)18)13-7-2-1-6(16)3-12(7)19-15-13/h1-5,16-18H
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n/an/a 60n/an/an/an/a7.322



Wyeth Research



Assay 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 ...


J Med Chem 51: 373-5 (2008)


Article DOI: 10.1021/jm701385c
BindingDB Entry DOI: 10.7270/Q2G44NKB
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM20735
PNG
(3-(5-chloro-2,4-dimethoxyphenyl)-6-methoxy-1,2-ben...)
Show SMILES COc1ccc2c(noc2c1)-c1cc(Cl)c(OC)cc1OC
Show InChI InChI=1S/C16H14ClNO4/c1-19-9-4-5-10-14(6-9)22-18-16(10)11-7-12(17)15(21-3)8-13(11)20-2/h4-8H,1-3H3
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n/an/a>2.00E+4n/an/an/an/a7.322



Wyeth Research



Assay 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 ...


J Med Chem 51: 373-5 (2008)


Article DOI: 10.1021/jm701385c
BindingDB Entry DOI: 10.7270/Q2G44NKB
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM20736
PNG
(4-chloro-6-[5-(4-methylpiperazin-1-yl)-1,2-benzoxa...)
Show SMILES CN1CCN(CC1)c1ccc2onc(-c3cc(Cl)c(O)cc3O)c2c1
Show InChI InChI=1S/C18H18ClN3O3/c1-21-4-6-22(7-5-21)11-2-3-17-13(8-11)18(20-25-17)12-9-14(19)16(24)10-15(12)23/h2-3,8-10,23-24H,4-7H2,1H3
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n/an/a 800n/an/an/an/a7.322



Wyeth Research



Assay 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 ...


J Med Chem 51: 373-5 (2008)


Article DOI: 10.1021/jm701385c
BindingDB Entry DOI: 10.7270/Q2G44NKB
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM20737
PNG
(4-bromo-6-(5-{[2-(morpholin-4-yl)ethyl]amino}-1,2-...)
Show SMILES Oc1cc(O)c(cc1Br)-c1noc2ccc(NCCN3CCOCC3)cc12
Show InChI InChI=1S/C19H20BrN3O4/c20-15-10-13(16(24)11-17(15)25)19-14-9-12(1-2-18(14)27-22-19)21-3-4-23-5-7-26-8-6-23/h1-2,9-11,21,24-25H,3-8H2
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n/an/a 40n/an/an/an/a7.322



Wyeth Research



Assay 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 ...


J Med Chem 51: 373-5 (2008)


Article DOI: 10.1021/jm701385c
BindingDB Entry DOI: 10.7270/Q2G44NKB
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM20738
PNG
(3-(5-chloro-2,4-dimethoxyphenyl)-N-[2-(morpholin-4...)
Show SMILES COc1cc(OC)c(cc1Cl)-c1noc2ccc(NCCN3CCOCC3)cc12
Show InChI InChI=1S/C21H24ClN3O4/c1-26-19-13-20(27-2)17(22)12-16(19)21-15-11-14(3-4-18(15)29-24-21)23-5-6-25-7-9-28-10-8-25/h3-4,11-13,23H,5-10H2,1-2H3
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n/an/a>2.00E+4n/an/an/an/a7.322



Wyeth Research



Assay 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 ...


J Med Chem 51: 373-5 (2008)


Article DOI: 10.1021/jm701385c
BindingDB Entry DOI: 10.7270/Q2G44NKB
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM20739
PNG
(4-chloro-6-(5-{[2-(morpholin-4-yl)ethyl]amino}-1,2...)
Show SMILES Oc1cc(O)c(cc1Cl)-c1noc2ccc(NCCN3CCOCC3)cc12
Show InChI InChI=1S/C19H20ClN3O4/c20-15-10-13(16(24)11-17(15)25)19-14-9-12(1-2-18(14)27-22-19)21-3-4-23-5-7-26-8-6-23/h1-2,9-11,21,24-25H,3-8H2
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n/an/a 30n/an/an/an/a7.322



Wyeth Research



Assay 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 ...


J Med Chem 51: 373-5 (2008)


Article DOI: 10.1021/jm701385c
BindingDB Entry DOI: 10.7270/Q2G44NKB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM110217
PNG
(US8618290, 35)
Show SMILES COc1cccc(n1)-c1cc(F)ccc1[C@H]1Cc2nc(N)nc(C)c2C(NOCC(CO)CO)=N1
Show InChI InChI=1S/C24H27FN6O4/c1-13-22-20(30-24(26)27-13)9-19(29-23(22)31-35-12-14(10-32)11-33)16-7-6-15(25)8-17(16)18-4-3-5-21(28-18)34-2/h3-8,14,19,32-33H,9-12H2,1-2H3,(H,29,31)(H2,26,27,30)/t19-/m1/s1
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n/an/a 13n/an/an/an/a7.3n/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
An in vitro competition fluorescence polarization assay in which a test compound competes with a fluorescent probe for binding to the binding domain ...


US Patent US8618290 (2013)


BindingDB Entry DOI: 10.7270/Q2D50KM5
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM32238
PNG
(1-(5-ethyl-2,4-dihydroxy-phenyl)-2-(4-fluorophenyl...)
Show SMILES CCc1cc(C(=O)Cc2ccc(F)cc2)c(O)cc1O
Show InChI InChI=1S/C16H15FO3/c1-2-11-8-13(16(20)9-14(11)18)15(19)7-10-3-5-12(17)6-4-10/h3-6,8-9,18,20H,2,7H2,1H3
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Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
A fluorescence polarization based HTS assay has been developed and optimized for the identification of Hsp90 inhibitors by using tumor cell lysate Hs...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2Q23XM6
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM32239
PNG
(N-(4-amino-1,2,5-oxadiazol-3-yl)-2-(4,6-diaminopyr...)
Show SMILES Nc1nonc1NC(=O)CSc1nc(N)cc(N)n1
Show InChI InChI=1S/C8H10N8O2S/c9-3-1-4(10)13-8(12-3)19-2-5(17)14-7-6(11)15-18-16-7/h1H,2H2,(H2,11,15)(H,14,16,17)(H4,9,10,12,13)
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n/an/a 5.00E+4n/an/an/an/a7.423



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
A fluorescence polarization based HTS assay has been developed and optimized for the identification of Hsp90 inhibitors by using tumor cell lysate Hs...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2Q23XM6
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM32240
PNG
(2-[2-(2-fluoranylphenoxy)ethylsulfanyl]pyrimidine-...)
Show SMILES Nc1cc(N)nc(SCCOc2ccccc2F)n1
Show InChI InChI=1S/C12H13FN4OS/c13-8-3-1-2-4-9(8)18-5-6-19-12-16-10(14)7-11(15)17-12/h1-4,7H,5-6H2,(H4,14,15,16,17)
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Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
A fluorescence polarization based HTS assay has been developed and optimized for the identification of Hsp90 inhibitors by using tumor cell lysate Hs...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2Q23XM6
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM32241
PNG
(1,3,6-trimethyl-5-p-anisoyl-pyrimidine-2,4-quinone...)
Show SMILES COc1ccc(cc1)C(=O)c1c(C)n(C)c(=O)n(C)c1=O
Show InChI InChI=1S/C15H16N2O4/c1-9-12(14(19)17(3)15(20)16(9)2)13(18)10-5-7-11(21-4)8-6-10/h5-8H,1-4H3
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Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
A fluorescence polarization based HTS assay has been developed and optimized for the identification of Hsp90 inhibitors by using tumor cell lysate Hs...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2Q23XM6
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM32242
PNG
(6-amino-2-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sul...)
Show SMILES Nc1cc(=O)[nH]c(SCC(=O)c2ccc3OCOc3c2)n1
Show InChI InChI=1S/C13H11N3O4S/c14-11-4-12(18)16-13(15-11)21-5-8(17)7-1-2-9-10(3-7)20-6-19-9/h1-4H,5-6H2,(H3,14,15,16,18)
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n/an/a 5.00E+4n/an/an/an/a7.423



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
A fluorescence polarization based HTS assay has been developed and optimized for the identification of Hsp90 inhibitors by using tumor cell lysate Hs...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2Q23XM6
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM32243
PNG
(4-(3-hydroxypropylamino)-1-benzopyran-2-one | 4-(3...)
Show SMILES OCCCNc1cc(=O)oc2ccccc12
Show InChI InChI=1S/C12H13NO3/c14-7-3-6-13-10-8-12(15)16-11-5-2-1-4-9(10)11/h1-2,4-5,8,13-14H,3,6-7H2
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Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
A fluorescence polarization based HTS assay has been developed and optimized for the identification of Hsp90 inhibitors by using tumor cell lysate Hs...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2Q23XM6
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM32244
PNG
(N-(2,5-dimethoxyphenyl)-2-methyl-pentanamide | N-(...)
Show SMILES CCCC(C)C(=O)Nc1cc(OC)ccc1OC
Show InChI InChI=1S/C14H21NO3/c1-5-6-10(2)14(16)15-12-9-11(17-3)7-8-13(12)18-4/h7-10H,5-6H2,1-4H3,(H,15,16)
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n/an/a 5.00E+4n/an/an/an/a7.423



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
A fluorescence polarization based HTS assay has been developed and optimized for the identification of Hsp90 inhibitors by using tumor cell lysate Hs...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2Q23XM6
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM32245
PNG
(2,2-dimethyl-5,7-bis(oxidanyl)-3H-chromen-4-one | ...)
Show SMILES CC1(C)CC(=O)c2c(O)cc(O)cc2O1
Show InChI InChI=1S/C11H12O4/c1-11(2)5-8(14)10-7(13)3-6(12)4-9(10)15-11/h3-4,12-13H,5H2,1-2H3
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Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
A fluorescence polarization based HTS assay has been developed and optimized for the identification of Hsp90 inhibitors by using tumor cell lysate Hs...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2Q23XM6
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM32246
PNG
(6-(2-furanyl)-2,4-dioxo-1H-pyrimidine-5-carbonitri...)
Show SMILES O=c1[nH]c(-c2ccco2)c(C#N)c(=O)[nH]1
Show InChI InChI=1S/C9H5N3O3/c10-4-5-7(6-2-1-3-15-6)11-9(14)12-8(5)13/h1-3H,(H2,11,12,13,14)
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Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
A fluorescence polarization based HTS assay has been developed and optimized for the identification of Hsp90 inhibitors by using tumor cell lysate Hs...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2Q23XM6
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM32247
PNG
(8-(1,3-benzodioxol-5-yloxy)-7-(4-chlorobenzyl)-1,3...)
Show SMILES Cn1c2nc(Oc3ccc4OCOc4c3)n(Cc3ccc(Cl)cc3)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C21H17ClN4O5/c1-24-18-17(19(27)25(2)21(24)28)26(10-12-3-5-13(22)6-4-12)20(23-18)31-14-7-8-15-16(9-14)30-11-29-15/h3-9H,10-11H2,1-2H3
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Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
A fluorescence polarization based HTS assay has been developed and optimized for the identification of Hsp90 inhibitors by using tumor cell lysate Hs...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2Q23XM6
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM32248
PNG
(1,3,7-trimethyl-8-(piperonylamino)xanthine | 8-(1,...)
Show SMILES Cn1c(NCc2ccc3OCOc3c2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C16H17N5O4/c1-19-12-13(20(2)16(23)21(3)14(12)22)18-15(19)17-7-9-4-5-10-11(6-9)25-8-24-10/h4-6H,7-8H2,1-3H3,(H,17,18)
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n/an/a 5.00E+4n/an/an/an/a7.423



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
A fluorescence polarization based HTS assay has been developed and optimized for the identification of Hsp90 inhibitors by using tumor cell lysate Hs...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2Q23XM6
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM32249
PNG
(8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-dime...)
Show SMILES Cn1c2nc(CN3CCc4ccccc4C3)n(CCCO)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C20H25N5O3/c1-22-18-17(19(27)23(2)20(22)28)25(9-5-11-26)16(21-18)13-24-10-8-14-6-3-4-7-15(14)12-24/h3-4,6-7,26H,5,8-13H2,1-2H3
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Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
A fluorescence polarization based HTS assay has been developed and optimized for the identification of Hsp90 inhibitors by using tumor cell lysate Hs...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2Q23XM6
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM32250
PNG
(6-(1,3-benzodioxol-5-ylmethyl)pyrrolo[3,4-b]pyridi...)
Show SMILES O=C1N(Cc2ccc3OCOc3c2)C(=O)c2ncccc12
Show InChI InChI=1S/C15H10N2O4/c18-14-10-2-1-5-16-13(10)15(19)17(14)7-9-3-4-11-12(6-9)21-8-20-11/h1-6H,7-8H2
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n/an/a 5.00E+4n/an/an/an/a7.423



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
A fluorescence polarization based HTS assay has been developed and optimized for the identification of Hsp90 inhibitors by using tumor cell lysate Hs...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2Q23XM6
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM32251
PNG
(2-(1,3-benzodioxol-5-ylmethyl)isoindole-1,3-dione ...)
Show SMILES O=C1N(Cc2ccc3OCOc3c2)C(=O)c2ccccc12
Show InChI InChI=1S/C16H11NO4/c18-15-11-3-1-2-4-12(11)16(19)17(15)8-10-5-6-13-14(7-10)21-9-20-13/h1-7H,8-9H2
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n/an/a 5.00E+4n/an/an/an/a7.423



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
A fluorescence polarization based HTS assay has been developed and optimized for the identification of Hsp90 inhibitors by using tumor cell lysate Hs...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2Q23XM6
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM32252
PNG
(2-(1-benzimidazolyl)-1-(5-ethyl-2,4-dihydroxypheny...)
Show SMILES CCc1cc(C(=O)Cn2cnc3ccccc23)c(O)cc1O
Show InChI InChI=1S/C17H16N2O3/c1-2-11-7-12(16(21)8-15(11)20)17(22)9-19-10-18-13-5-3-4-6-14(13)19/h3-8,10,20-21H,2,9H2,1H3
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n/an/a 5.00E+4n/an/an/an/a7.423



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
A fluorescence polarization based HTS assay has been developed and optimized for the identification of Hsp90 inhibitors by using tumor cell lysate Hs...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2Q23XM6
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM32253
PNG
(2-[(5-amino-7-keto-1H-[1,2,4]triazolo[4,3-a]pyrimi...)
Show SMILES Nc1cc(=O)[nH]c2nnc(SCC#N)n12
Show InChI InChI=1S/C7H6N6OS/c8-1-2-15-7-12-11-6-10-5(14)3-4(9)13(6)7/h3H,2,9H2,(H,10,11,14)
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n/an/a 5.00E+4n/an/an/an/a7.423



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
A fluorescence polarization based HTS assay has been developed and optimized for the identification of Hsp90 inhibitors by using tumor cell lysate Hs...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2Q23XM6
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM32254
PNG
(2-keto-6-methyl-1H-quinoline-4-carboxylic acid met...)
Show SMILES COC(=O)c1cc(=O)[nH]c2ccc(C)cc12
Show InChI InChI=1S/C12H11NO3/c1-7-3-4-10-8(5-7)9(12(15)16-2)6-11(14)13-10/h3-6H,1-2H3,(H,13,14)
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n/an/a 5.00E+4n/an/an/an/a7.423



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
A fluorescence polarization based HTS assay has been developed and optimized for the identification of Hsp90 inhibitors by using tumor cell lysate Hs...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2Q23XM6
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM32255
PNG
(N-(6-methoxy-8-quinolinyl)-N',N'-bis(2-methylpropy...)
Show SMILES COc1cc(NCCN(CC(C)C)CC(C)C)c2ncccc2c1
Show InChI InChI=1S/C20H31N3O/c1-15(2)13-23(14-16(3)4)10-9-21-19-12-18(24-5)11-17-7-6-8-22-20(17)19/h6-8,11-12,15-16,21H,9-10,13-14H2,1-5H3
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n/an/a 4.00E+4n/an/an/an/a7.423



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
A fluorescence polarization based HTS assay has been developed and optimized for the identification of Hsp90 inhibitors by using tumor cell lysate Hs...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2Q23XM6
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM32256
PNG
((6-methoxy-8-quinolyl)-[2-(sec-butylamino)ethyl]am...)
Show SMILES CCC(C)NCCNc1cc(OC)cc2cccnc12
Show InChI InChI=1S/C16H23N3O/c1-4-12(2)17-8-9-18-15-11-14(20-3)10-13-6-5-7-19-16(13)15/h5-7,10-12,17-18H,4,8-9H2,1-3H3
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n/an/a 3.13E+3n/an/an/an/a7.423



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
A fluorescence polarization based HTS assay has been developed and optimized for the identification of Hsp90 inhibitors by using tumor cell lysate Hs...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2Q23XM6
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM32257
PNG
(1-(diisobutylamino)-3-[(6-methoxy-2-methyl-8-quino...)
Show SMILES COc1cc(NCC(O)CN(CC(C)C)CC(C)C)c2nc(C)ccc2c1
Show InChI InChI=1S/C22H35N3O2/c1-15(2)12-25(13-16(3)4)14-19(26)11-23-21-10-20(27-6)9-18-8-7-17(5)24-22(18)21/h7-10,15-16,19,23,26H,11-14H2,1-6H3
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n/an/a 5.00E+4n/an/an/an/a7.423



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
A fluorescence polarization based HTS assay has been developed and optimized for the identification of Hsp90 inhibitors by using tumor cell lysate Hs...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2Q23XM6
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM32258
PNG
(N'-ethyl-N-(6-methoxy-8-quinolinyl)-N'-pentan-2-yl...)
Show SMILES CCCC(C)N(CC)CCNc1cc(OC)cc2cccnc12
Show InChI InChI=1S/C19H29N3O/c1-5-8-15(3)22(6-2)12-11-20-18-14-17(23-4)13-16-9-7-10-21-19(16)18/h7,9-10,13-15,20H,5-6,8,11-12H2,1-4H3
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n/an/a 1.25E+4n/an/an/an/a7.423



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
A fluorescence polarization based HTS assay has been developed and optimized for the identification of Hsp90 inhibitors by using tumor cell lysate Hs...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2Q23XM6
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM81912
PNG
(DC23 | Resorcinol analog, 1)
Show SMILES Oc1ccc(-c2n[nH]c(=S)n2-c2cccc3ccccc23)c(O)c1
Show InChI InChI=1S/C18H13N3O2S/c22-12-8-9-14(16(23)10-12)17-19-20-18(24)21(17)15-7-3-5-11-4-1-2-6-13(11)15/h1-10,22-23H,(H,20,24)
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Article
PubMed
n/an/a 0.300n/an/an/an/a7.4n/a



Bayer Healthcare,



Assay Description
To assess the affinity of compounds binding to Hsp90, we measured their ability to compete with the binding of a fluorescent analog of GA (GM-Bodipy)...


Chem Biol Drug Des 74: 43-50 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00833.x
BindingDB Entry DOI: 10.7270/Q2KW5DJW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM81913
PNG
(Unsubstituted phenyl ring analog, 2)
Show SMILES Oc1ccc(-c2n[nH]c(=S)n2-c2ccccc2)c(O)c1
Show InChI InChI=1S/C14H11N3O2S/c18-10-6-7-11(12(19)8-10)13-15-16-14(20)17(13)9-4-2-1-3-5-9/h1-8,18-19H,(H,16,20)
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n/an/a 0.5n/an/an/an/a7.4n/a



Bayer Healthcare,



Assay Description
To assess the affinity of compounds binding to Hsp90, we measured their ability to compete with the binding of a fluorescent analog of GA (GM-Bodipy)...


Chem Biol Drug Des 74: 43-50 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00833.x
BindingDB Entry DOI: 10.7270/Q2KW5DJW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM81914
PNG
(Ethyl carbamate analog, 3)
Show SMILES CCOC(=O)NCc1ccc(cc1)-n1c(n[nH]c1=S)-c1ccc(O)cc1O
Show InChI InChI=1S/C18H18N4O4S/c1-2-26-18(25)19-10-11-3-5-12(6-4-11)22-16(20-21-17(22)27)14-8-7-13(23)9-15(14)24/h3-9,23-24H,2,10H2,1H3,(H,19,25)(H,21,27)
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n/an/a 0.100n/an/an/an/a7.4n/a



Bayer Healthcare,



Assay Description
To assess the affinity of compounds binding to Hsp90, we measured their ability to compete with the binding of a fluorescent analog of GA (GM-Bodipy)...


Chem Biol Drug Des 74: 43-50 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00833.x
BindingDB Entry DOI: 10.7270/Q2KW5DJW
More data for this
Ligand-Target Pair
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