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Compile Data Set for Download or QSAR

Found 19 hits with Last Name = 'sonye' and Initial = 'jp'   
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 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))
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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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))
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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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
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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n/an/a 140n/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))
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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n/an/a 150n/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))
BDBM50340251
PNG
(CHEMBL1760603)
Show SMILES C[C@H]1CCNCCc2c(C)c3c(CC(C)(C)CC3=O)n2-c2ccc(C(N)=O)c(N1)c2 |r|
Show InChI InChI=1S/C24H32N4O2/c1-14-7-9-26-10-8-19-15(2)22-20(12-24(3,4)13-21(22)29)28(19)16-5-6-17(23(25)30)18(11-16)27-14/h5-6,11,14,26-27H,7-10,12-13H2,1-4H3,(H2,25,30)/t14-/m0/s1
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n/an/a 210n/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))
BDBM50340247
PNG
(CHEMBL1760600)
Show SMILES Cc1c2CCCNCC(C)(C)CNc3cc(ccc3C(N)=O)-n2c2CC(C)(C)CC(=O)c12
Show InChI InChI=1S/C26H36N4O2/c1-16-20-7-6-10-28-14-26(4,5)15-29-19-11-17(8-9-18(19)24(27)32)30(20)21-12-25(2,3)13-22(31)23(16)21/h8-9,11,28-29H,6-7,10,12-15H2,1-5H3,(H2,27,32)
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n/an/a 290n/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))
BDBM50340254
PNG
(CHEMBL1760606)
Show SMILES Cc1c2CCNCC(O)CNc3cc(ccc3C(N)=O)-n2c2CC(C)(C)CC(=O)c12
Show InChI InChI=1S/C23H30N4O3/c1-13-18-6-7-25-11-15(28)12-26-17-8-14(4-5-16(17)22(24)30)27(18)19-9-23(2,3)10-20(29)21(13)19/h4-5,8,15,25-26,28H,6-7,9-12H2,1-3H3,(H2,24,30)
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n/an/a 320n/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))
BDBM50340253
PNG
(CHEMBL1760605)
Show SMILES CC1CNCCc2c(C)c3c(CC(C)(C)CC3=O)n2-c2ccc(C(N)=O)c(NC1)c2
Show InChI InChI=1S/C24H32N4O2/c1-14-12-26-8-7-19-15(2)22-20(10-24(3,4)11-21(22)29)28(19)16-5-6-17(23(25)30)18(9-16)27-13-14/h5-6,9,14,26-27H,7-8,10-13H2,1-4H3,(H2,25,30)
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n/an/a 360n/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))
BDBM50340245
PNG
(CHEMBL1760598)
Show SMILES Cc1c2CCNCCCNc3cc(ccc3C(N)=O)-n2c2CC(C)(C)CC(=O)c12
Show InChI InChI=1S/C23H30N4O2/c1-14-18-7-10-25-8-4-9-26-17-11-15(5-6-16(17)22(24)29)27(18)19-12-23(2,3)13-20(28)21(14)19/h5-6,11,25-26H,4,7-10,12-13H2,1-3H3,(H2,24,29)
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n/an/a 400n/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))
BDBM50340242
PNG
(CHEMBL1760612)
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+/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))
BDBM50340255
PNG
(CHEMBL1760607)
Show SMILES Cc1c2CCNCCOCCNc3cc(ccc3C(N)=O)-n2c2CC(C)(C)CC(=O)c12
Show InChI InChI=1S/C24H32N4O3/c1-15-19-6-7-26-8-10-31-11-9-27-18-12-16(4-5-17(18)23(25)30)28(19)20-13-24(2,3)14-21(29)22(15)20/h4-5,12,26-27H,6-11,13-14H2,1-3H3,(H2,25,30)
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n/an/a 570n/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))
BDBM50340252
PNG
(CHEMBL1760604)
Show SMILES Cc1c2CCCNCC(C)(C)Nc3cc(ccc3C(N)=O)-n2c2CC(C)(C)CC(=O)c12
Show InChI InChI=1S/C25H34N4O2/c1-15-19-7-6-10-27-14-25(4,5)28-18-11-16(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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n/an/a 830n/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))
BDBM50340249
PNG
(CHEMBL1760602)
Show SMILES Cc1c2CCCNCCNc3cc(ccc3C(N)=O)-n2c2CC(C)(C)CC(=O)c12
Show InChI InChI=1S/C23H30N4O2/c1-14-18-5-4-8-25-9-10-26-17-11-15(6-7-16(17)22(24)29)27(18)19-12-23(2,3)13-20(28)21(14)19/h6-7,11,25-26H,4-5,8-10,12-13H2,1-3H3,(H2,24,29)
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n/an/a 920n/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))
BDBM50340240
PNG
(CHEMBL1760610)
Show SMILES CC1CCc2c(C)c3c(CC(C)(C)CC3=O)n2-c2ccc(C(N)=O)c(NCCN1)c2
Show InChI InChI=1S/C24H32N4O2/c1-14-5-8-19-15(2)22-20(12-24(3,4)13-21(22)29)28(19)16-6-7-17(23(25)30)18(11-16)27-10-9-26-14/h6-7,11,14,26-27H,5,8-10,12-13H2,1-4H3,(H2,25,30)
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n/an/a 1.24E+3n/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))
BDBM50340256
PNG
(CHEMBL1760608)
Show SMILES Cc1c2CNCCCCNc3cc(ccc3C(N)=O)-n2c2CC(C)(C)CC(=O)c12
Show InChI InChI=1S/C23H30N4O2/c1-14-19-13-25-8-4-5-9-26-17-10-15(6-7-16(17)22(24)29)27(19)18-11-23(2,3)12-20(28)21(14)18/h6-7,10,25-26H,4-5,8-9,11-13H2,1-3H3,(H2,24,29)
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n/an/a>5.00E+3n/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))
BDBM50340257
PNG
(CHEMBL1760609)
Show SMILES C[C@H]1CCCNCc2c(C)c3c(CC(C)(C)CC3=O)n2-c2ccc(C(N)=O)c(N1)c2 |r|
Show InChI InChI=1S/C24H32N4O2/c1-14-6-5-9-26-13-20-15(2)22-19(11-24(3,4)12-21(22)29)28(20)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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PubMed
n/an/a>5.00E+3n/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))
BDBM50340246
PNG
(CHEMBL1760599)
Show SMILES Cc1c2CCNCCNc3cc(ccc3C(N)=O)-n2c2CC(C)(C)CC(=O)c12
Show InChI InChI=1S/C22H28N4O2/c1-13-17-6-7-24-8-9-25-16-10-14(4-5-15(16)21(23)28)26(17)18-11-22(2,3)12-19(27)20(13)18/h4-5,10,24-25H,6-9,11-12H2,1-3H3,(H2,23,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.24E+4n/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