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Compile Data Set for Download or QSAR

Found 466 hits of ph data 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))
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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Article
PubMed
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))
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))
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))
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 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))
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))
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))
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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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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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))
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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Article
PubMed
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))
BDBM31997
PNG
(6-Methoxy-3-methyl-1H-benzo[de]cinnoline | MLS0000...)
Show SMILES COc1ccc2c(C)n[nH]c3cccc1c23
Show InChI InChI=1S/C13H12N2O/c1-8-9-6-7-12(16-2)10-4-3-5-11(13(9)10)15-14-8/h3-7,15H,1-2H3
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n/an/a 8.36E+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))
BDBM31998
PNG
(1-Hydroxy-3-oxo-6,7-dihydro-3H,5H-pyrido[3,2,1-ij]...)
Show SMILES Cc1cccc(NC(=O)c2c(O)n3CCCc4cccc(c34)c2=O)n1
Show InChI InChI=1S/C19H17N3O3/c1-11-5-2-9-14(20-11)21-18(24)15-17(23)13-8-3-6-12-7-4-10-22(16(12)13)19(15)25/h2-3,5-6,8-9,25H,4,7,10H2,1H3,(H,20,21,24)
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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))
BDBM31999
PNG
(3-[5-(4-Ethyl-phenyl)-tetrazol-2-yl]-propionic aci...)
Show SMILES CCc1ccc(cc1)-c1nnn(CCC(=O)OC)n1
Show InChI InChI=1S/C13H16N4O2/c1-3-10-4-6-11(7-5-10)13-14-16-17(15-13)9-8-12(18)19-2/h4-7H,3,8-9H2,1-2H3
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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))
BDBM31040
PNG
(1-Ethyl-6-methyl-3-phenyl-1H-pyrimido[5,4-e][1,2,4...)
Show SMILES CCn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccccc1
Show InChI InChI=1S/C14H13N5O2/c1-3-19-12-10(13(20)18(2)14(21)16-12)15-11(17-19)9-7-5-4-6-8-9/h4-8H,3H2,1-2H3
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n/an/a 136n/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))
BDBM32000
PNG
(MLS000029852 | N-(3-Acetyl-phenyl)-2-{5-[4-(pyrrol...)
Show SMILES CC(=O)c1cccc(NC(=O)CSc2nnc(o2)-c2ccc(cc2)S(=O)(=O)N2CCCC2)c1
Show InChI InChI=1S/C22H22N4O5S2/c1-15(27)17-5-4-6-18(13-17)23-20(28)14-32-22-25-24-21(31-22)16-7-9-19(10-8-16)33(29,30)26-11-2-3-12-26/h4-10,13H,2-3,11-12,14H2,1H3,(H,23,28)
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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))
BDBM32001
PNG
(7-Oxo-7H-benzo[e]perimidine-4-carboxylic acid | 7-...)
Show SMILES OC(=O)c1ccc2C(=O)c3ccccc3-c3ncnc1c23
Show InChI InChI=1S/C16H8N2O3/c19-15-9-4-2-1-3-8(9)13-12-10(15)5-6-11(16(20)21)14(12)18-7-17-13/h1-7H,(H,20,21)
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n/an/a 5.22E+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))
BDBM32002
PNG
(2-thiophenecarboxylic acid [1-oxo-1-(thiophen-2-yl...)
Show SMILES CC(OC(=O)c1cccs1)C(=O)NCc1cccs1
Show InChI InChI=1S/C13H13NO3S2/c1-9(17-13(16)11-5-3-7-19-11)12(15)14-8-10-4-2-6-18-10/h2-7,9H,8H2,1H3,(H,14,15)
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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))
BDBM32003
PNG
(2-(2-hydroxy-9-keto-5H-benzo[b][1,4]benzoxazepin-6...)
Show SMILES OC(=O)c1ccccc1C1=Nc2ccc(O)cc2Oc2cc(O)ccc12
Show InChI InChI=1S/C20H13NO5/c22-11-5-7-15-17(9-11)26-18-10-12(23)6-8-16(18)21-19(15)13-3-1-2-4-14(13)20(24)25/h1-10,22-23H,(H,24,25)
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n/an/a 1.30E+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))
BDBM32004
PNG
(2-(3-Oxo-1,3-dihydro-indol-2-ylidene)-indan-1,3-di...)
Show SMILES O=C1C(Nc2ccccc12)=C1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C17H9NO3/c19-15-9-5-1-2-6-10(9)16(20)13(15)14-17(21)11-7-3-4-8-12(11)18-14/h1-8,18H
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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))
BDBM31042
PNG
((5-acetamido-4-acetyloxy-2,1,3-benzoxadiazol-7-yl)...)
Show SMILES CC(=O)Nc1cc(OC(C)=O)c2nonc2c1OC(C)=O
Show InChI InChI=1S/C12H11N3O6/c1-5(16)13-8-4-9(19-6(2)17)10-11(15-21-14-10)12(8)20-7(3)18/h4H,1-3H3,(H,13,16)
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n/an/a 5.70E+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))
BDBM32005
PNG
(MLS000073681 | N-(2,3-Dimethyl-phenyl)-2-(5-thioph...)
Show SMILES Cc1cccc(NC(=O)Cn2nnc(n2)-c2cccs2)c1C
Show InChI InChI=1S/C15H15N5OS/c1-10-5-3-6-12(11(10)2)16-14(21)9-20-18-15(17-19-20)13-7-4-8-22-13/h3-8H,9H2,1-2H3,(H,16,21)
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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))
BDBM31691
PNG
(3-Methoxy-N-(9-phenylcarbamoylmethyl-9-aza-bicyclo...)
Show SMILES COc1cccc(c1)C(=O)NC1CC2CCCC(C1)N2CC(=O)Nc1ccccc1
Show InChI InChI=1S/C24H29N3O3/c1-30-22-12-5-7-17(13-22)24(29)26-19-14-20-10-6-11-21(15-19)27(20)16-23(28)25-18-8-3-2-4-9-18/h2-5,7-9,12-13,19-21H,6,10-11,14-16H2,1H3,(H,25,28)(H,26,29)
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n/an/a 1.57E+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))
BDBM32006
PNG
(1-(2-Hydroxy-ethylamino)-3-methyl-3H-naphtho[1,2,3...)
Show SMILES Cn1c2cccc3C(=O)c4ccccc4-c(c(NCCO)c1=O)c23
Show InChI InChI=1S/C19H16N2O3/c1-21-14-8-4-7-13-15(14)16(17(19(21)24)20-9-10-22)11-5-2-3-6-12(11)18(13)23/h2-8,20,22H,9-10H2,1H3
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n/an/a 4.46E+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))
BDBM32007
PNG
(2-(6-methyl-2-phenacylsulfanyl-pyrimidin-4-yl)sulf...)
Show SMILES Cc1cc(SCC(N)=O)nc(SCC(=O)c2ccccc2)n1
Show InChI InChI=1S/C15H15N3O2S2/c1-10-7-14(21-9-13(16)20)18-15(17-10)22-8-12(19)11-5-3-2-4-6-11/h2-7H,8-9H2,1H3,(H2,16,20)
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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))
BDBM32008
PNG
(1-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine;hy...)
Show SMILES COc1cc(NCCCC(C)N)c2ncccc2c1
Show InChI InChI=1S/C15H21N3O/c1-11(16)5-3-7-17-14-10-13(19-2)9-12-6-4-8-18-15(12)14/h4,6,8-11,17H,3,5,7,16H2,1-2H3
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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))
BDBM32009
PNG
(4-[(4-Hydroxy-phenylamino)-methyl]-4-aza-tricyclo[...)
Show SMILES Oc1ccc(NCN2C(=O)C3C4CC(C=C4)C3C2=O)cc1
Show InChI InChI=1S/C16H16N2O3/c19-12-5-3-11(4-6-12)17-8-18-15(20)13-9-1-2-10(7-9)14(13)16(18)21/h1-6,9-10,13-14,17,19H,7-8H2
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n/an/a 1.47E+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))
BDBM31044
PNG
(1-Ethyl-6-methyl-3-thiophen-2-yl-1H-pyrimido[5,4-e...)
Show SMILES CCn1nc(nc2c1nc(=O)n(C)c2=O)-c1cccs1
Show InChI InChI=1S/C12H11N5O2S/c1-3-17-10-8(11(18)16(2)12(19)14-10)13-9(15-17)7-5-4-6-20-7/h4-6H,3H2,1-2H3
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n/an/a 5.00E+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))
BDBM32010
PNG
((4Z)-4-[[4-(dimethylamino)anilino]methylene]-2-phe...)
Show SMILES CN(C)c1ccc(cc1)N=Cc1nc(oc1O)-c1ccccc1
Show InChI InChI=1S/C18H17N3O2/c1-21(2)15-10-8-14(9-11-15)19-12-16-18(22)23-17(20-16)13-6-4-3-5-7-13/h3-12,22H,1-2H3
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n/an/a 2.73E+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))
BDBM32011
PNG
((4-piperidinofurazan-3-yl)amine | 4-(1-piperidinyl...)
Show SMILES Nc1nonc1N1CCCCC1
Show InChI InChI=1S/C7H12N4O/c8-6-7(10-12-9-6)11-4-2-1-3-5-11/h1-5H2,(H2,8,9)
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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))
BDBM32012
PNG
(1-(3,4-Dihydroxy-phenyl)-2-(5-phenyl-4H-[1,2,4]tri...)
Show SMILES Oc1ccc(cc1O)C(=O)CSc1nnc([nH]1)-c1ccccc1
Show InChI InChI=1S/C16H13N3O3S/c20-12-7-6-11(8-13(12)21)14(22)9-23-16-17-15(18-19-16)10-4-2-1-3-5-10/h1-8,20-21H,9H2,(H,17,18,19)
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n/an/a 7.72E+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))
BDBM32013
PNG
(4-Amino-2-(1-oxo-1,2,3,4-tetrahydro-naphthalen-2-y...)
Show SMILES CCOC(=O)c1cnc(SC2CCc3ccccc3C2=O)nc1N
Show InChI InChI=1S/C17H17N3O3S/c1-2-23-16(22)12-9-19-17(20-15(12)18)24-13-8-7-10-5-3-4-6-11(10)14(13)21/h3-6,9,13H,2,7-8H2,1H3,(H2,18,19,20)
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n/an/a 1.51E+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))
BDBM32014
PNG
(2-[[2-[[4-(2-methoxyethyl)-5-(4-methoxyphenyl)-1,2...)
Show SMILES CCOC(=O)c1sc(NC(=O)CSc2nnc(-c3ccc(OC)cc3)n2CCOC)nc1C
Show InChI InChI=1S/C21H25N5O5S2/c1-5-31-19(28)17-13(2)22-20(33-17)23-16(27)12-32-21-25-24-18(26(21)10-11-29-3)14-6-8-15(30-4)9-7-14/h6-9H,5,10-12H2,1-4H3,(H,22,23,27)
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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))
BDBM32015
PNG
(MLS000031116 | N-(2,3-dihydro-1H-inden-1-yl)-4-(1-...)
Show SMILES O=S(=O)(NC1CCc2ccccc12)c1ccc(cc1)S(=O)(=O)N1CCCC1
Show InChI InChI=1S/C19H22N2O4S2/c22-26(23,20-19-12-7-15-5-1-2-6-18(15)19)16-8-10-17(11-9-16)27(24,25)21-13-3-4-14-21/h1-2,5-6,8-11,19-20H,3-4,7,12-14H2
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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))
BDBM4303
PNG
((2E)-2-cyano-3-(3,4-dihydroxyphenyl)-N-(3-phenylpr...)
Show SMILES Oc1ccc(\C=C(/C#N)C(=O)NCCCc2ccccc2)cc1O
Show InChI InChI=1S/C19H18N2O3/c20-13-16(11-15-8-9-17(22)18(23)12-15)19(24)21-10-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-9,11-12,22-23H,4,7,10H2,(H,21,24)/b16-11+
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n/an/a 1.91E+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
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