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Compile Data Set for Download or QSAR

Found 92 hits with Last Name = 'vogan' and Initial = 'e'   
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))
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 |r,w:16.16,6.6,t:28|
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
3D
3D Structure (crystal)
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))
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))
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 |r,w:16.16,6.6,t:28|
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 40n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Hsp90alpha after 3 hrs by fluorescence polarization assay


Bioorg Med Chem Lett 21: 2278-82 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.101
BindingDB Entry DOI: 10.7270/Q2RF5VBN
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 |r,w:16.16,6.6,t:28|
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 40n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to HSP90alpha after 3 hrs by fluorescence polarization assay


Bioorg Med Chem Lett 21: 4602-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.102
BindingDB Entry DOI: 10.7270/Q2833SD5
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 |r,w:16.16,6.6,t:28|
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 40n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of HSP90alpha after 3 hrs by fluorescence polarization binding assay


Bioorg Med Chem Lett 21: 3627-31 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.102
BindingDB Entry DOI: 10.7270/Q2VX0GVP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50349038
PNG
(CHEMBL1807797)
Show SMILES C[C@@H]1CN(CCc2c(C)c3c(CC(C)(C)CC3=O)n2-c2ccc(C(N)=O)c(N[C@H]1C)c2)C(C)=O |r|
Show InChI InChI=1S/C27H36N4O3/c1-15-14-30(18(4)32)10-9-22-16(2)25-23(12-27(5,6)13-24(25)33)31(22)19-7-8-20(26(28)34)21(11-19)29-17(15)3/h7-8,11,15,17,29H,9-10,12-14H2,1-6H3,(H2,28,34)/t15-,17+/m1/s1
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n/an/a 58n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to HSP90alpha after 3 hrs by fluorescence polarization assay


Bioorg Med Chem Lett 21: 4602-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.102
BindingDB Entry DOI: 10.7270/Q2833SD5
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))
BDBM50349047
PNG
(CHEMBL1807807)
Show SMILES C[C@@H]1CN(CCc2c(C)c3c(CC(C)(C)CC3=O)n2-c2ccc(C(N)=O)c(N[C@H]1C)c2)C(=O)C(C)(C)N |r|
Show InChI InChI=1S/C29H41N5O3/c1-16-15-33(27(37)29(6,7)31)11-10-22-17(2)25-23(13-28(4,5)14-24(25)35)34(22)19-8-9-20(26(30)36)21(12-19)32-18(16)3/h8-9,12,16,18,32H,10-11,13-15,31H2,1-7H3,(H2,30,36)/t16-,18+/m1/s1
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n/an/a 60n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to HSP90alpha after 3 hrs by fluorescence polarization assay


Bioorg Med Chem Lett 21: 4602-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.102
BindingDB Entry DOI: 10.7270/Q2833SD5
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50345159
PNG
(CHEMBL1779539)
Show SMILES Cc1c2CCCN3C[C@@H](F)C[C@@H]3CNc3cc(ccc3C(N)=O)-n2c2CC(C)(C)CC(=O)c12 |r|
Show InChI InChI=1S/C26H33FN4O2/c1-15-21-5-4-8-30-14-16(27)9-18(30)13-29-20-10-17(6-7-19(20)25(28)33)31(21)22-11-26(2,3)12-23(32)24(15)22/h6-7,10,16,18,29H,4-5,8-9,11-14H2,1-3H3,(H2,28,33)/t16-,18+/m0/s1
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of HSP90alpha after 3 hrs by fluorescence polarization binding assay


Bioorg Med Chem Lett 21: 3627-31 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.102
BindingDB Entry DOI: 10.7270/Q2VX0GVP
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50349032
PNG
(CHEMBL1807791)
Show SMILES C[C@@H]1CNCCc2c(C)c3c(CC(C)(C)CC3=O)n2-c2ccc(C(N)=O)c(N[C@H]1C)c2 |r|
Show InChI InChI=1S/C25H34N4O2/c1-14-13-27-9-8-20-15(2)23-21(11-25(4,5)12-22(23)30)29(20)17-6-7-18(24(26)31)19(10-17)28-16(14)3/h6-7,10,14,16,27-28H,8-9,11-13H2,1-5H3,(H2,26,31)/t14-,16+/m1/s1
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n/an/a 64n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to HSP90alpha after 3 hrs by fluorescence polarization assay


Bioorg Med Chem Lett 21: 4602-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.102
BindingDB Entry DOI: 10.7270/Q2833SD5
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50349045
PNG
(CHEMBL1807805)
Show SMILES CC[C@H](N)C(=O)N1CCc2c(C)c3c(CC(C)(C)CC3=O)n2-c2ccc(C(N)=O)c(N[C@@H](C)[C@H](C)C1)c2 |r|
Show InChI InChI=1S/C29H41N5O3/c1-7-21(30)28(37)33-11-10-23-17(3)26-24(13-29(5,6)14-25(26)35)34(23)19-8-9-20(27(31)36)22(12-19)32-18(4)16(2)15-33/h8-9,12,16,18,21,32H,7,10-11,13-15,30H2,1-6H3,(H2,31,36)/t16-,18+,21+/m1/s1
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to HSP90alpha after 3 hrs by fluorescence polarization assay


Bioorg Med Chem Lett 21: 4602-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.102
BindingDB Entry DOI: 10.7270/Q2833SD5
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50349042
PNG
(CHEMBL1807801)
Show SMILES C[C@@H]1CN(CCc2c(C)c3c(CC(C)(C)CC3=O)n2-c2ccc(C(N)=O)c(N[C@H]1C)c2)C(=O)CO |r|
Show InChI InChI=1S/C27H36N4O4/c1-15-13-30(24(34)14-32)9-8-21-16(2)25-22(11-27(4,5)12-23(25)33)31(21)18-6-7-19(26(28)35)20(10-18)29-17(15)3/h6-7,10,15,17,29,32H,8-9,11-14H2,1-5H3,(H2,28,35)/t15-,17+/m1/s1
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n/an/a 66n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to HSP90alpha after 3 hrs by fluorescence polarization assay


Bioorg Med Chem Lett 21: 4602-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.102
BindingDB Entry DOI: 10.7270/Q2833SD5
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50349050
PNG
(CHEMBL1807810)
Show SMILES C[C@@H]1CN(CCc2c(C)c3c(CC(C)(C)CC3=O)n2-c2ccc(C(N)=O)c(N[C@H]1C)c2)C(=O)[C@@H]1CCCN1 |r|
Show InChI InChI=1S/C30H41N5O3/c1-17-16-34(29(38)22-7-6-11-32-22)12-10-24-18(2)27-25(14-30(4,5)15-26(27)36)35(24)20-8-9-21(28(31)37)23(13-20)33-19(17)3/h8-9,13,17,19,22,32-33H,6-7,10-12,14-16H2,1-5H3,(H2,31,37)/t17-,19+,22+/m1/s1
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n/an/a 68n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to HSP90alpha after 3 hrs by fluorescence polarization assay


Bioorg Med Chem Lett 21: 4602-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.102
BindingDB Entry DOI: 10.7270/Q2833SD5
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50349046
PNG
(CHEMBL1807806)
Show SMILES CC(C)[C@H](N)C(=O)N1CCc2c(C)c3c(CC(C)(C)CC3=O)n2-c2ccc(C(N)=O)c(N[C@@H](C)[C@H](C)C1)c2 |r|
Show InChI InChI=1S/C30H43N5O3/c1-16(2)27(31)29(38)34-11-10-23-18(4)26-24(13-30(6,7)14-25(26)36)35(23)20-8-9-21(28(32)37)22(12-20)33-19(5)17(3)15-34/h8-9,12,16-17,19,27,33H,10-11,13-15,31H2,1-7H3,(H2,32,37)/t17-,19+,27+/m1/s1
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n/an/a 70n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to HSP90alpha after 3 hrs by fluorescence polarization assay


Bioorg Med Chem Lett 21: 4602-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.102
BindingDB Entry DOI: 10.7270/Q2833SD5
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50349040
PNG
(CHEMBL1807799)
Show SMILES C[C@@H]1CN(CCc2c(C)c3c(CC(C)(C)CC3=O)n2-c2ccc(C(N)=O)c(N[C@H]1C)c2)C(=O)CN |r|
Show InChI InChI=1S/C27H37N5O3/c1-15-14-31(24(34)13-28)9-8-21-16(2)25-22(11-27(4,5)12-23(25)33)32(21)18-6-7-19(26(29)35)20(10-18)30-17(15)3/h6-7,10,15,17,30H,8-9,11-14,28H2,1-5H3,(H2,29,35)/t15-,17+/m1/s1
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to HSP90alpha after 3 hrs by fluorescence polarization assay


Bioorg Med Chem Lett 21: 4602-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.102
BindingDB Entry DOI: 10.7270/Q2833SD5
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50349041
PNG
(CHEMBL1807800)
Show SMILES C[C@@H]1Nc2cc(ccc2C(N)=O)-n2c3CC(C)(C)CC(=O)c3c(C)c2CCCN([C@H]1C)C(=O)CO |r|
Show InChI InChI=1S/C27H36N4O4/c1-15-21-7-6-10-30(24(34)14-32)17(3)16(2)29-20-11-18(8-9-19(20)26(28)35)31(21)22-12-27(4,5)13-23(33)25(15)22/h8-9,11,16-17,29,32H,6-7,10,12-14H2,1-5H3,(H2,28,35)/t16-,17-/m0/s1
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n/an/a 77n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to HSP90alpha after 3 hrs by fluorescence polarization assay


Bioorg Med Chem Lett 21: 4602-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.102
BindingDB Entry DOI: 10.7270/Q2833SD5
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50345167
PNG
(CHEMBL1779547)
Show SMILES Cc1c2CCCN3CCC[C@@H](C3)Nc3cc(ccc3C(N)=O)-n2c2CC(C)(C)CC(=O)c12 |r|
Show InChI InChI=1S/C26H34N4O2/c1-16-21-7-5-11-29-10-4-6-17(15-29)28-20-12-18(8-9-19(20)25(27)32)30(21)22-13-26(2,3)14-23(31)24(16)22/h8-9,12,17,28H,4-7,10-11,13-15H2,1-3H3,(H2,27,32)/t17-/m0/s1
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n/an/a 78n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of HSP90alpha after 3 hrs by fluorescence polarization binding assay


Bioorg Med Chem Lett 21: 3627-31 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.102
BindingDB Entry DOI: 10.7270/Q2VX0GVP
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50349052
PNG
(CHEMBL1806511)
Show SMILES C[C@@H]1CN(CCc2c(C)c3c(CC(C)(C)CC3=O)n2-c2ccc(C(N)=O)c(N[C@H]1C)c2)C(=O)[C@@H]1C[C@H](F)CN1 |r|
Show InChI InChI=1S/C30H40FN5O3/c1-16-15-35(29(39)23-10-19(31)14-33-23)9-8-24-17(2)27-25(12-30(4,5)13-26(27)37)36(24)20-6-7-21(28(32)38)22(11-20)34-18(16)3/h6-7,11,16,18-19,23,33-34H,8-10,12-15H2,1-5H3,(H2,32,38)/t16-,18+,19+,23+/m1/s1
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n/an/a 80n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to HSP90alpha after 3 hrs by fluorescence polarization assay


Bioorg Med Chem Lett 21: 4602-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.102
BindingDB Entry DOI: 10.7270/Q2833SD5
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50349039
PNG
(CHEMBL1807798)
Show SMILES C[C@@H]1Nc2cc(ccc2C(N)=O)-n2c3CC(C)(C)CC(=O)c3c(C)c2CCCN([C@H]1C)C(=O)CN |r|
Show InChI InChI=1S/C27H37N5O3/c1-15-21-7-6-10-31(24(34)14-28)17(3)16(2)30-20-11-18(8-9-19(20)26(29)35)32(21)22-12-27(4,5)13-23(33)25(15)22/h8-9,11,16-17,30H,6-7,10,12-14,28H2,1-5H3,(H2,29,35)/t16-,17-/m0/s1
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n/an/a 81n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to HSP90alpha after 3 hrs by fluorescence polarization assay


Bioorg Med Chem Lett 21: 4602-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.102
BindingDB Entry DOI: 10.7270/Q2833SD5
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50344140
PNG
(CHEMBL1778208)
Show SMILES C[C@@H]1Nc2cc(ccc2C(N)=O)-n2c3CC(C)(C)CC(=O)c3c(C)c2CCCNC1=O |r|
Show InChI InChI=1S/C24H30N4O3/c1-13-18-6-5-9-26-23(31)14(2)27-17-10-15(7-8-16(17)22(25)30)28(18)19-11-24(3,4)12-20(29)21(13)19/h7-8,10,14,27H,5-6,9,11-12H2,1-4H3,(H2,25,30)(H,26,31)/t14-/m0/s1
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n/an/a 82n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of HSP90alpha after 3 hrs by fluorescence polarization binding assay


Bioorg Med Chem Lett 21: 3627-31 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.102
BindingDB Entry DOI: 10.7270/Q2VX0GVP
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50349031
PNG
(CHEMBL1807790)
Show SMILES C[C@@H]1NCCCc2c(C)c3c(CC(C)(C)CC3=O)n2-c2ccc(C(N)=O)c(N[C@H]1C)c2 |r|
Show InChI InChI=1S/C25H34N4O2/c1-14-20-7-6-10-27-15(2)16(3)28-19-11-17(8-9-18(19)24(26)31)29(20)21-12-25(4,5)13-22(30)23(14)21/h8-9,11,15-16,27-28H,6-7,10,12-13H2,1-5H3,(H2,26,31)/t15-,16-/m0/s1
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n/an/a 82n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to HSP90alpha after 3 hrs by fluorescence polarization assay


Bioorg Med Chem Lett 21: 4602-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.102
BindingDB Entry DOI: 10.7270/Q2833SD5
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50349049
PNG
(CHEMBL1807809)
Show SMILES C[C@@H]1CN(CCc2c(C)c3c(CC(C)(C)CC3=O)n2-c2ccc(C(N)=O)c(N[C@H]1C)c2)C(=O)C1(N)CCCC1 |r|
Show InChI InChI=1S/C31H43N5O3/c1-18-17-35(29(39)31(33)11-6-7-12-31)13-10-24-19(2)27-25(15-30(4,5)16-26(27)37)36(24)21-8-9-22(28(32)38)23(14-21)34-20(18)3/h8-9,14,18,20,34H,6-7,10-13,15-17,33H2,1-5H3,(H2,32,38)/t18-,20+/m1/s1
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n/an/a 83n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to HSP90alpha after 3 hrs by fluorescence polarization assay


Bioorg Med Chem Lett 21: 4602-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.102
BindingDB Entry DOI: 10.7270/Q2833SD5
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50349030
PNG
(CHEMBL1807804)
Show SMILES C[C@H](N)C(=O)N1CCc2c(C)c3c(CC(C)(C)CC3=O)n2-c2ccc(C(N)=O)c(N[C@@H](C)[C@H](C)C1)c2 |r|
Show InChI InChI=1S/C28H39N5O3/c1-15-14-32(27(36)17(3)29)10-9-22-16(2)25-23(12-28(5,6)13-24(25)34)33(22)19-7-8-20(26(30)35)21(11-19)31-18(15)4/h7-8,11,15,17-18,31H,9-10,12-14,29H2,1-6H3,(H2,30,35)/t15-,17+,18+/m1/s1
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n/an/a 83n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to HSP90alpha after 3 hrs by fluorescence polarization assay


Bioorg Med Chem Lett 21: 4602-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.102
BindingDB Entry DOI: 10.7270/Q2833SD5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50349044
PNG
(CHEMBL1807803)
Show SMILES COCCC(=O)N1CCc2c(C)c3c(CC(C)(C)CC3=O)n2-c2ccc(C(N)=O)c(N[C@@H](C)[C@H](C)C1)c2 |r|
Show InChI InChI=1S/C29H40N4O4/c1-17-16-32(26(35)10-12-37-6)11-9-23-18(2)27-24(14-29(4,5)15-25(27)34)33(23)20-7-8-21(28(30)36)22(13-20)31-19(17)3/h7-8,13,17,19,31H,9-12,14-16H2,1-6H3,(H2,30,36)/t17-,19+/m1/s1
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n/an/a 83n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to HSP90alpha after 3 hrs by fluorescence polarization assay


Bioorg Med Chem Lett 21: 4602-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.102
BindingDB Entry DOI: 10.7270/Q2833SD5
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50349036
PNG
(CHEMBL1807795)
Show SMILES C[C@@H]1CN(CCO)CCc2c(C)c3c(CC(C)(C)CC3=O)n2-c2ccc(C(N)=O)c(N[C@H]1C)c2 |r|
Show InChI InChI=1S/C27H38N4O3/c1-16-15-30(10-11-32)9-8-22-17(2)25-23(13-27(4,5)14-24(25)33)31(22)19-6-7-20(26(28)34)21(12-19)29-18(16)3/h6-7,12,16,18,29,32H,8-11,13-15H2,1-5H3,(H2,28,34)/t16-,18+/m1/s1
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n/an/a 84n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to HSP90alpha after 3 hrs by fluorescence polarization assay


Bioorg Med Chem Lett 21: 4602-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.102
BindingDB Entry DOI: 10.7270/Q2833SD5
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50349037
PNG
(CHEMBL1807796)
Show SMILES C[C@@H]1Nc2cc(ccc2C(N)=O)-n2c3CC(C)(C)CC(=O)c3c(C)c2CCCN([C@H]1C)C(C)=O |r|
Show InChI InChI=1S/C27H36N4O3/c1-15-22-8-7-11-30(18(4)32)17(3)16(2)29-21-12-19(9-10-20(21)26(28)34)31(22)23-13-27(5,6)14-24(33)25(15)23/h9-10,12,16-17,29H,7-8,11,13-14H2,1-6H3,(H2,28,34)/t16-,17-/m0/s1
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n/an/a 85n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to HSP90alpha after 3 hrs by fluorescence polarization assay


Bioorg Med Chem Lett 21: 4602-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.102
BindingDB Entry DOI: 10.7270/Q2833SD5
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50349034
PNG
(CHEMBL1807793)
Show SMILES C[C@@H]1CN(C)CCc2c(C)c3c(CC(C)(C)CC3=O)n2-c2ccc(C(N)=O)c(N[C@H]1C)c2 |r|
Show InChI InChI=1S/C26H36N4O2/c1-15-14-29(6)10-9-21-16(2)24-22(12-26(4,5)13-23(24)31)30(21)18-7-8-19(25(27)32)20(11-18)28-17(15)3/h7-8,11,15,17,28H,9-10,12-14H2,1-6H3,(H2,27,32)/t15-,17+/m1/s1
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n/an/a 88n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to HSP90alpha after 3 hrs by fluorescence polarization assay


Bioorg Med Chem Lett 21: 4602-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.102
BindingDB Entry DOI: 10.7270/Q2833SD5
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50340241
PNG
(CHEMBL1760611)
Show SMILES C[C@@H]1CCc2c(C)c3c(CC(C)(C)CC3=O)n2-c2ccc(C(N)=O)c(NC[C@@H](C)N1)c2 |r|
Show InChI InChI=1S/C25H34N4O2/c1-14-6-9-20-16(3)23-21(11-25(4,5)12-22(23)30)29(20)17-7-8-18(24(26)31)19(10-17)27-13-15(2)28-14/h7-8,10,14-15,27-28H,6,9,11-13H2,1-5H3,(H2,26,31)/t14-,15-/m1/s1
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n/an/a 90n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Hsp90alpha after 3 hrs by fluorescence polarization assay


Bioorg Med Chem Lett 21: 2278-82 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.101
BindingDB Entry DOI: 10.7270/Q2RF5VBN
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50349054
PNG
(CHEMBL1807813)
Show SMILES CC(C)[C@H](O)C(=O)N1CCc2c(C)c3c(CC(C)(C)CC3=O)n2-c2ccc(C(N)=O)c(N[C@@H](C)[C@H](C)C1)c2 |r|
Show InChI InChI=1S/C30H42N4O4/c1-16(2)27(36)29(38)33-11-10-23-18(4)26-24(13-30(6,7)14-25(26)35)34(23)20-8-9-21(28(31)37)22(12-20)32-19(5)17(3)15-33/h8-9,12,16-17,19,27,32,36H,10-11,13-15H2,1-7H3,(H2,31,37)/t17-,19+,27+/m1/s1
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n/an/a 91n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to HSP90alpha after 3 hrs by fluorescence polarization assay


Bioorg Med Chem Lett 21: 4602-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.102
BindingDB Entry DOI: 10.7270/Q2833SD5
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50345151
PNG
(CHEMBL1779531)
Show SMILES Cc1c2CCCN3CCC[C@H]3CNc3cc(ccc3C(N)=O)-n2c2CC(C)(C)CC(=O)c12 |r|
Show InChI InChI=1S/C26H34N4O2/c1-16-21-7-5-11-29-10-4-6-18(29)15-28-20-12-17(8-9-19(20)25(27)32)30(21)22-13-26(2,3)14-23(31)24(16)22/h8-9,12,18,28H,4-7,10-11,13-15H2,1-3H3,(H2,27,32)/t18-/m0/s1
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n/an/a 96n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to HSP90alpha after 3 hrs by fluorescence polarization assay


Bioorg Med Chem Lett 21: 4602-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.102
BindingDB Entry DOI: 10.7270/Q2833SD5
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50345150
PNG
((3aR)-13,13,16-trimethyl-15-oxo-1,2,3,3a,4,5,12,14...)
Show SMILES Cc1c2CCCN3CCC[C@@H]3CNc3cc(ccc3C(N)=O)-n2c2CC(C)(C)CC(=O)c12 |r|
Show InChI InChI=1S/C26H34N4O2/c1-16-21-7-5-11-29-10-4-6-18(29)15-28-20-12-17(8-9-19(20)25(27)32)30(21)22-13-26(2,3)14-23(31)24(16)22/h8-9,12,18,28H,4-7,10-11,13-15H2,1-3H3,(H2,27,32)/t18-/m1/s1
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n/an/a 96n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of HSP90alpha after 3 hrs by fluorescence polarization binding assay


Bioorg Med Chem Lett 21: 3627-31 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.102
BindingDB Entry DOI: 10.7270/Q2VX0GVP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50345153
PNG
(CHEMBL1779533)
Show SMILES Cc1c2CCCN3CCOC[C@@H]3CNc3cc(ccc3C(N)=O)-n2c2CC(C)(C)CC(=O)c12 |r|
Show InChI InChI=1S/C26H34N4O3/c1-16-21-5-4-8-29-9-10-33-15-18(29)14-28-20-11-17(6-7-19(20)25(27)32)30(21)22-12-26(2,3)13-23(31)24(16)22/h6-7,11,18,28H,4-5,8-10,12-15H2,1-3H3,(H2,27,32)/t18-/m0/s1
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n/an/a 96n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of HSP90alpha after 3 hrs by fluorescence polarization binding assay


Bioorg Med Chem Lett 21: 3627-31 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.102
BindingDB Entry DOI: 10.7270/Q2VX0GVP
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50345155
PNG
(CHEMBL1779535)
Show SMILES CC(=O)N1CCN2CCCc3c(C)c4c(CC(C)(C)CC4=O)n3-c3ccc(C(N)=O)c(NC[C@H]2C1)c3 |r|
Show InChI InChI=1S/C28H37N5O3/c1-17-23-6-5-9-31-10-11-32(18(2)34)16-20(31)15-30-22-12-19(7-8-21(22)27(29)36)33(23)24-13-28(3,4)14-25(35)26(17)24/h7-8,12,20,30H,5-6,9-11,13-16H2,1-4H3,(H2,29,36)/t20-/m0/s1
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n/an/a 106n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of HSP90alpha after 3 hrs by fluorescence polarization binding assay


Bioorg Med Chem Lett 21: 3627-31 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.102
BindingDB Entry DOI: 10.7270/Q2VX0GVP
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50340244
PNG
(CHEMBL1760614)
Show SMILES C[C@H]1CCN(CCc2c(C)c3c(CC(C)(C)CC3=O)n2-c2ccc(C(N)=O)c(N1)c2)C(C)=O |r|
Show InChI InChI=1S/C26H34N4O3/c1-15-8-10-29(17(3)31)11-9-21-16(2)24-22(13-26(4,5)14-23(24)32)30(21)18-6-7-19(25(27)33)20(12-18)28-15/h6-7,12,15,28H,8-11,13-14H2,1-5H3,(H2,27,33)/t15-/m0/s1
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Hsp90alpha after 3 hrs by fluorescence polarization assay


Bioorg Med Chem Lett 21: 2278-82 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.101
BindingDB Entry DOI: 10.7270/Q2RF5VBN
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50340250
PNG
((6S)-6,15,15,18-tetramethyl-17-oxo-2,3,4,5,6,7,14,...)
Show SMILES C[C@H]1CNCCCc2c(C)c3c(CC(C)(C)CC3=O)n2-c2ccc(C(N)=O)c(N1)c2 |r|
Show InChI InChI=1S/C24H32N4O2/c1-14-13-26-9-5-6-19-15(2)22-20(11-24(3,4)12-21(22)29)28(19)16-7-8-17(23(25)30)18(10-16)27-14/h7-8,10,14,26-27H,5-6,9,11-13H2,1-4H3,(H2,25,30)/t14-/m0/s1
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n/an/a 110n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Hsp90alpha after 3 hrs by fluorescence polarization assay


Bioorg Med Chem Lett 21: 2278-82 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.101
BindingDB Entry DOI: 10.7270/Q2RF5VBN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50340250
PNG
((6S)-6,15,15,18-tetramethyl-17-oxo-2,3,4,5,6,7,14,...)
Show SMILES C[C@H]1CNCCCc2c(C)c3c(CC(C)(C)CC3=O)n2-c2ccc(C(N)=O)c(N1)c2 |r|
Show InChI InChI=1S/C24H32N4O2/c1-14-13-26-9-5-6-19-15(2)22-20(11-24(3,4)12-21(22)29)28(19)16-7-8-17(23(25)30)18(10-16)27-14/h7-8,10,14,26-27H,5-6,9,11-13H2,1-4H3,(H2,25,30)/t14-/m0/s1
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n/an/a 110n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of HSP90alpha after 3 hrs by fluorescence polarization binding assay


Bioorg Med Chem Lett 21: 3627-31 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.102
BindingDB Entry DOI: 10.7270/Q2VX0GVP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50340250
PNG
((6S)-6,15,15,18-tetramethyl-17-oxo-2,3,4,5,6,7,14,...)
Show SMILES C[C@H]1CNCCCc2c(C)c3c(CC(C)(C)CC3=O)n2-c2ccc(C(N)=O)c(N1)c2 |r|
Show InChI InChI=1S/C24H32N4O2/c1-14-13-26-9-5-6-19-15(2)22-20(11-24(3,4)12-21(22)29)28(19)16-7-8-17(23(25)30)18(10-16)27-14/h7-8,10,14,26-27H,5-6,9,11-13H2,1-4H3,(H2,25,30)/t14-/m0/s1
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n/an/a 110n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to HSP90alpha after 3 hrs by fluorescence polarization assay


Bioorg Med Chem Lett 21: 4602-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.102
BindingDB Entry DOI: 10.7270/Q2833SD5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50349033
PNG
(CHEMBL1807792)
Show SMILES C[C@@H]1Nc2cc(ccc2C(N)=O)-n2c3CC(C)(C)CC(=O)c3c(C)c2CCCN(C)[C@H]1C |r|
Show InChI InChI=1S/C26H36N4O2/c1-15-21-8-7-11-29(6)17(3)16(2)28-20-12-18(9-10-19(20)25(27)32)30(21)22-13-26(4,5)14-23(31)24(15)22/h9-10,12,16-17,28H,7-8,11,13-14H2,1-6H3,(H2,27,32)/t16-,17-/m0/s1
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n/an/a 116n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to HSP90alpha after 3 hrs by fluorescence polarization assay


Bioorg Med Chem Lett 21: 4602-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.102
BindingDB Entry DOI: 10.7270/Q2833SD5
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50349048
PNG
(CHEMBL1807808)
Show SMILES C[C@@H]1CN(CCc2c(C)c3c(CC(C)(C)CC3=O)n2-c2ccc(C(N)=O)c(N[C@H]1C)c2)C(=O)C1(N)CC1 |r|
Show InChI InChI=1S/C29H39N5O3/c1-16-15-33(27(37)29(31)9-10-29)11-8-22-17(2)25-23(13-28(4,5)14-24(25)35)34(22)19-6-7-20(26(30)36)21(12-19)32-18(16)3/h6-7,12,16,18,32H,8-11,13-15,31H2,1-5H3,(H2,30,36)/t16-,18+/m1/s1
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n/an/a 116n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to HSP90alpha after 3 hrs by fluorescence polarization assay


Bioorg Med Chem Lett 21: 4602-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.102
BindingDB Entry DOI: 10.7270/Q2833SD5
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50345152
PNG
(CHEMBL1779532)
Show SMILES Cc1c2CCCN3CCCC[C@@H]3CNc3cc(ccc3C(N)=O)-n2c2CC(C)(C)CC(=O)c12 |r|
Show InChI InChI=1S/C27H36N4O2/c1-17-22-8-6-12-30-11-5-4-7-19(30)16-29-21-13-18(9-10-20(21)26(28)33)31(22)23-14-27(2,3)15-24(32)25(17)23/h9-10,13,19,29H,4-8,11-12,14-16H2,1-3H3,(H2,28,33)/t19-/m1/s1
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n/an/a 126n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of HSP90alpha after 3 hrs by fluorescence polarization binding assay


Bioorg Med Chem Lett 21: 3627-31 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.102
BindingDB Entry DOI: 10.7270/Q2VX0GVP
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50349043
PNG
(CHEMBL1807802)
Show SMILES COCCC(=O)N1CCCc2c(C)c3c(CC(C)(C)CC3=O)n2-c2ccc(C(N)=O)c(N[C@@H](C)[C@@H]1C)c2 |r|
Show InChI InChI=1S/C29H40N4O4/c1-17-23-8-7-12-32(26(35)11-13-37-6)19(3)18(2)31-22-14-20(9-10-21(22)28(30)36)33(23)24-15-29(4,5)16-25(34)27(17)24/h9-10,14,18-19,31H,7-8,11-13,15-16H2,1-6H3,(H2,30,36)/t18-,19-/m0/s1
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n/an/a 131n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to HSP90alpha after 3 hrs by fluorescence polarization assay


Bioorg Med Chem Lett 21: 4602-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.102
BindingDB Entry DOI: 10.7270/Q2833SD5
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50340248
PNG
(CHEMBL1760601)
Show SMILES Cc1c2CCCNC(C)(C)CNc3cc(ccc3C(N)=O)-n2c2CC(C)(C)CC(=O)c12
Show InChI InChI=1S/C25H34N4O2/c1-15-19-7-6-10-28-25(4,5)14-27-18-11-16(8-9-17(18)23(26)31)29(19)20-12-24(2,3)13-21(30)22(15)20/h8-9,11,27-28H,6-7,10,12-14H2,1-5H3,(H2,26,31)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Hsp90alpha after 3 hrs by fluorescence polarization assay


Bioorg Med Chem Lett 21: 2278-82 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.101
BindingDB Entry DOI: 10.7270/Q2RF5VBN
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50349035
PNG
(CHEMBL1807794)
Show SMILES C[C@@H]1Nc2cc(ccc2C(N)=O)-n2c3CC(C)(C)CC(=O)c3c(C)c2CCCN(CCO)[C@H]1C |r|
Show InChI InChI=1S/C27H38N4O3/c1-16-22-7-6-10-30(11-12-32)18(3)17(2)29-21-13-19(8-9-20(21)26(28)34)31(22)23-14-27(4,5)15-24(33)25(16)23/h8-9,13,17-18,29,32H,6-7,10-12,14-15H2,1-5H3,(H2,28,34)/t17-,18-/m0/s1
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n/an/a 142n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to HSP90alpha after 3 hrs by fluorescence polarization assay


Bioorg Med Chem Lett 21: 4602-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.102
BindingDB Entry DOI: 10.7270/Q2833SD5
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50349055
PNG
(CHEMBL1778194)
Show SMILES C[C@H](N)C(=O)N1CC[C@H](C)Nc2cc(ccc2C(N)=O)-n2c3CC(C)(C)CC(=O)c3c(C)c2CC1 |r|
Show InChI InChI=1S/C27H37N5O3/c1-15-8-10-31(26(35)17(3)28)11-9-21-16(2)24-22(13-27(4,5)14-23(24)33)32(21)18-6-7-19(25(29)34)20(12-18)30-15/h6-7,12,15,17,30H,8-11,13-14,28H2,1-5H3,(H2,29,34)/t15-,17-/m0/s1
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n/an/a 145n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to HSP90alpha after 3 hrs by fluorescence polarization assay


Bioorg Med Chem Lett 21: 4602-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.102
BindingDB Entry DOI: 10.7270/Q2833SD5
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50340243
PNG
(CHEMBL1760613)
Show SMILES C[C@H]1CN(C)CCCc2c(C)c3c(CC(C)(C)CC3=O)n2-c2ccc(C(N)=O)c(N1)c2 |r|
Show InChI InChI=1S/C25H34N4O2/c1-15-14-28(5)10-6-7-20-16(2)23-21(12-25(3,4)13-22(23)30)29(20)17-8-9-18(24(26)31)19(11-17)27-15/h8-9,11,15,27H,6-7,10,12-14H2,1-5H3,(H2,26,31)/t15-/m0/s1
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Hsp90alpha after 3 hrs by fluorescence polarization assay


Bioorg Med Chem Lett 21: 2278-82 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.101
BindingDB Entry DOI: 10.7270/Q2RF5VBN
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50345158
PNG
(CHEMBL1779538)
Show SMILES Cc1c2CCCN3C[C@H](O)C[C@@H]3CNc3cc(ccc3C(N)=O)-n2c2CC(C)(C)CC(=O)c12 |r|
Show InChI InChI=1S/C26H34N4O3/c1-15-21-5-4-8-29-14-18(31)9-17(29)13-28-20-10-16(6-7-19(20)25(27)33)30(21)22-11-26(2,3)12-23(32)24(15)22/h6-7,10,17-18,28,31H,4-5,8-9,11-14H2,1-3H3,(H2,27,33)/t17-,18-/m1/s1
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of HSP90alpha after 3 hrs by fluorescence polarization binding assay


Bioorg Med Chem Lett 21: 3627-31 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.102
BindingDB Entry DOI: 10.7270/Q2VX0GVP
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50345165
PNG
(CHEMBL1779545)
Show SMILES C[C@@H]1Nc2cc(ccc2C(N)=O)-n2c3CC(C)(C)CC(=O)c3c(C)c2CCCN2CCCC[C@H]12 |r|
Show InChI InChI=1S/C28H38N4O2/c1-17-22-9-7-13-31-12-6-5-8-23(31)18(2)30-21-14-19(10-11-20(21)27(29)34)32(22)24-15-28(3,4)16-25(33)26(17)24/h10-11,14,18,23,30H,5-9,12-13,15-16H2,1-4H3,(H2,29,34)/t18-,23+/m0/s1
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n/an/a 170n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of HSP90alpha after 3 hrs by fluorescence polarization binding assay


Bioorg Med Chem Lett 21: 3627-31 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.102
BindingDB Entry DOI: 10.7270/Q2VX0GVP
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50349053
PNG
(CHEMBL1807812)
Show SMILES C[C@H](O)C(=O)N1CCc2c(C)c3c(CC(C)(C)CC3=O)n2-c2ccc(C(N)=O)c(N[C@@H](C)[C@H](C)C1)c2 |r|
Show InChI InChI=1S/C28H38N4O4/c1-15-14-31(27(36)18(4)33)10-9-22-16(2)25-23(12-28(5,6)13-24(25)34)32(22)19-7-8-20(26(29)35)21(11-19)30-17(15)3/h7-8,11,15,17-18,30,33H,9-10,12-14H2,1-6H3,(H2,29,35)/t15-,17+,18+/m1/s1
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n/an/a 183n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to HSP90alpha after 3 hrs by fluorescence polarization assay


Bioorg Med Chem Lett 21: 4602-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.102
BindingDB Entry DOI: 10.7270/Q2833SD5
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50345164
PNG
(CHEMBL1779544)
Show SMILES Cc1c2CCC(=O)N3CCC[C@@H]3CNc3cc(ccc3C(N)=O)-n2c2CC(C)(C)CC(=O)c12 |r|
Show InChI InChI=1S/C26H32N4O3/c1-15-20-8-9-23(32)29-10-4-5-17(29)14-28-19-11-16(6-7-18(19)25(27)33)30(20)21-12-26(2,3)13-22(31)24(15)21/h6-7,11,17,28H,4-5,8-10,12-14H2,1-3H3,(H2,27,33)/t17-/m1/s1
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of HSP90alpha after 3 hrs by fluorescence polarization binding assay


Bioorg Med Chem Lett 21: 3627-31 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.102
BindingDB Entry DOI: 10.7270/Q2VX0GVP
More data for this
Ligand-Target Pair
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