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Compile Data Set for Download or QSAR

Found 52 hits with Last Name = 'mcbean' and Initial = 'jl'   
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 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))
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))
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))
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))
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))
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))
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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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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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))
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))
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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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))
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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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))
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))
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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n/an/a 153n/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))
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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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))
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
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50345156
PNG
(CHEMBL1779536)
Show SMILES Cc1c2CCCN3CC[C@@H](C3)CNc3cc(ccc3C(N)=O)-n2c2CC(C)(C)CC(=O)c12 |r|
Show InChI InChI=1S/C26H34N4O2/c1-16-21-5-4-9-29-10-8-17(15-29)14-28-20-11-18(6-7-19(20)25(27)32)30(21)22-12-26(2,3)13-23(31)24(16)22/h6-7,11,17,28H,4-5,8-10,12-15H2,1-3H3,(H2,27,32)/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
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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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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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))
BDBM50345163
PNG
(CHEMBL1779543)
Show SMILES Cc1c2CCCCN3CCC[C@@H]3CNc3cc(ccc3C(N)=O)-n2c2CC(C)(C)CC(=O)c12 |r|
Show InChI InChI=1S/C27H36N4O2/c1-17-22-8-4-5-11-30-12-6-7-19(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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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))
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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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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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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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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50345156
PNG
(CHEMBL1779536)
Show SMILES Cc1c2CCCN3CC[C@@H](C3)CNc3cc(ccc3C(N)=O)-n2c2CC(C)(C)CC(=O)c12 |r|
Show InChI InChI=1S/C26H34N4O2/c1-16-21-5-4-9-29-10-8-17(15-29)14-28-20-11-18(6-7-19(20)25(27)32)30(21)22-12-26(2,3)13-23(31)24(16)22/h6-7,11,17,28H,4-5,8-10,12-15H2,1-3H3,(H2,27,32)/t17-/m1/s1
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n/an/a 440n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG by HT patch clamp 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))
BDBM50345161
PNG
(CHEMBL1779541)
Show SMILES Cc1c2CCCN3C[C@H](C[C@@H]3CNc3cc(ccc3C(N)=O)-n2c2CC(C)(C)CC(=O)c12)N1CCCC1 |r|
Show InChI InChI=1S/C30H41N5O2/c1-19-25-7-6-12-34-18-22(33-10-4-5-11-33)13-21(34)17-32-24-14-20(8-9-23(24)29(31)37)35(25)26-15-30(2,3)16-27(36)28(19)26/h8-9,14,21-22,32H,4-7,10-13,15-18H2,1-3H3,(H2,31,37)/t21-,22+/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))
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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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))
BDBM50345160
PNG
(CHEMBL1779540)
Show SMILES CC(=O)N[C@H]1C[C@@H]2CNc3cc(ccc3C(N)=O)-n3c4CC(C)(C)CC(=O)c4c(C)c3CCCN2C1 |r|
Show InChI InChI=1S/C28H37N5O3/c1-16-23-6-5-9-32-15-18(31-17(2)34)10-20(32)14-30-22-11-19(7-8-21(22)27(29)36)33(23)24-12-28(3,4)13-25(35)26(16)24/h7-8,11,18,20,30H,5-6,9-10,12-15H2,1-4H3,(H2,29,36)(H,31,34)/t18-,20+/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))
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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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))
BDBM50345162
PNG
(CHEMBL1779542)
Show SMILES Cc1c2CCN3CCC[C@@H]3CNc3cc(ccc3C(N)=O)-n2c2CC(C)(C)CC(=O)c12 |r|
Show InChI InChI=1S/C25H32N4O2/c1-15-20-8-10-28-9-4-5-17(28)14-27-19-11-16(6-7-18(19)24(26)31)29(20)21-12-25(2,3)13-22(30)23(15)21/h6-7,11,17,27H,4-5,8-10,12-14H2,1-3H3,(H2,26,31)/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
Potassium voltage-gated channel subfamily H member 2


(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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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG by HT patch clamp 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))
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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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))
BDBM50345166
PNG
(CHEMBL1779546)
Show SMILES Cc1c2CCCN3CC[C@@H](C3)Nc3cc(ccc3C(N)=O)-n2c2CC(C)(C)CC(=O)c12 |r|
Show InChI InChI=1S/C25H32N4O2/c1-15-20-5-4-9-28-10-8-16(14-28)27-19-11-17(6-7-18(19)24(26)31)29(20)21-12-25(2,3)13-22(30)23(15)21/h6-7,11,16,27H,4-5,8-10,12-14H2,1-3H3,(H2,26,31)/t16-/m0/s1
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n/an/a 982n/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))
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 1.04E+3n/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))
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
Potassium voltage-gated channel subfamily H member 2


(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 1.50E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG by HT patch clamp 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
Potassium voltage-gated channel subfamily H member 2


(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 2.60E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG by HT patch clamp 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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50344139
PNG
(CHEMBL1778190)
Show SMILES C[C@@H]1CNc2cc(ccc2C(N)=O)-n2c3CC(C)(C)CC(=O)c3c(C)c2CCCN1 |r|
Show InChI InChI=1S/C24H32N4O2/c1-14-13-27-18-10-16(7-8-17(18)23(25)30)28-19(6-5-9-26-14)15(2)22-20(28)11-24(3,4)12-21(22)29/h7-8,10,14,26-27H,5-6,9,11-13H2,1-4H3,(H2,25,30)/t14-/m1/s1
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n/an/a 3.20E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG by patch clamp method


Bioorg Med Chem Lett 21: 3411-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.112
BindingDB Entry DOI: 10.7270/Q22R3S1X
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50345154
PNG
(CHEMBL1779534)
Show SMILES Cc1c2CCCN3CCNC[C@H]3CNc3cc(ccc3C(N)=O)-n2c2CC(C)(C)CC(=O)c12 |r|
Show InChI InChI=1S/C26H35N5O2/c1-16-21-5-4-9-30-10-8-28-14-18(30)15-29-20-11-17(6-7-19(20)25(27)33)31(21)22-12-26(2,3)13-23(32)24(16)22/h6-7,11,18,28-29H,4-5,8-10,12-15H2,1-3H3,(H2,27,33)/t18-/m0/s1
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n/an/a 3.32E+3n/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
Potassium voltage-gated channel subfamily H member 2


(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 3.40E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG by HT patch clamp 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))
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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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))
BDBM50345157
PNG
(CHEMBL1779537)
Show SMILES Cc1c2CCCN3CC[C@H](C3)CNc3cc(ccc3C(N)=O)-n2c2CC(C)(C)CC(=O)c12 |r|
Show InChI InChI=1S/C26H34N4O2/c1-16-21-5-4-9-29-10-8-17(15-29)14-28-20-11-18(6-7-19(20)25(27)32)30(21)22-12-26(2,3)13-23(31)24(16)22/h6-7,11,17,28H,4-5,8-10,12-15H2,1-3H3,(H2,27,32)/t17-/m0/s1
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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 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))
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))
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)
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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
Potassium voltage-gated channel subfamily H member 2


(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 1.25E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG by HT patch clamp 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
Potassium voltage-gated channel subfamily H member 2


(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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n/an/a 1.64E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG by HT patch clamp 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
Tyrosine-protein kinase Fyn


(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 2.20E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of FYN


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
Potassium voltage-gated channel subfamily H member 2


(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 2.44E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG by HT patch clamp 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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