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25 similar compounds to monomer 50008260

Compile data set for download or QSAR
Wt: 449.5
BDBM50008258
Wt: 479.5
BDBM50008256
Wt: 463.5
BDBM50008257
Wt: 464.5
BDBM50008263
Wt: 492.6
BDBM50008266
Wt: 537.6
BDBM50008244
Wt: 494.6
BDBM50008236
Wt: 492.6
BDBM50008238
Wt: 499.9
BDBM50008239
Wt: 505.6
BDBM50008241
Wt: 519.6
BDBM50008242
Wt: 451.5
BDBM50008261
Wt: 467.5
BDBM50008262
Wt: 478.5
BDBM50008264
Wt: 477.5
BDBM50008267
Displayed 1 to 15 (of 25 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50008258,50008256,50008257,50008263,50008266,50008244,50008236,50008238,50008239,50008241,50008242,50008261,50008262,50008264,50008267   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM50008236
PNG
(CHEMBL3235109)
Show SMILES CCNC(=O)c1nnn(c1-c1ccc(CNCCN(CC)CC)cc1)-c1cc(C(C)C)c(O)cc1O
Show InChI InChI=1S/C27H38N6O3/c1-6-29-27(36)25-26(20-11-9-19(10-12-20)17-28-13-14-32(7-2)8-3)33(31-30-25)22-15-21(18(4)5)23(34)16-24(22)35/h9-12,15-16,18,28,34-35H,6-8,13-14,17H2,1-5H3,(H,29,36)
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n/an/a 15n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of GM-FITC from full-length recombinant human Hsp90-alpha after 4 hrs by fluorescence polarization assay


J Med Chem 57: 2258-74 (2014)


Article DOI: 10.1021/jm401536b
BindingDB Entry DOI: 10.7270/Q2JQ12HR
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50008267
PNG
(CHEMBL3234778)
Show SMILES CCNC(=O)c1nnn(c1-c1ccc(CNC2CCCCC2)cc1)-c1cc(C(C)C)c(O)cc1O
Show InChI InChI=1S/C27H35N5O3/c1-4-28-27(35)25-26(19-12-10-18(11-13-19)16-29-20-8-6-5-7-9-20)32(31-30-25)22-14-21(17(2)3)23(33)15-24(22)34/h10-15,17,20,29,33-34H,4-9,16H2,1-3H3,(H,28,35)
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n/an/a 6.80n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of GM-FITC from full-length recombinant human Hsp90-alpha after 4 hrs by fluorescence polarization assay


J Med Chem 57: 2258-74 (2014)


Article DOI: 10.1021/jm401536b
BindingDB Entry DOI: 10.7270/Q2JQ12HR
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50008239
PNG
(CHEMBL3235112)
Show SMILES CC(C)c1cc(c(O)cc1O)-n1nnc(C(=O)NCCCl)c1-c1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C25H30ClN5O4/c1-16(2)19-13-20(22(33)14-21(19)32)31-24(23(28-29-31)25(34)27-8-7-26)18-5-3-17(4-6-18)15-30-9-11-35-12-10-30/h3-6,13-14,16,32-33H,7-12,15H2,1-2H3,(H,27,34)
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n/an/a 17n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of GM-FITC from full-length recombinant human Hsp90-alpha after 4 hrs by fluorescence polarization assay


J Med Chem 57: 2258-74 (2014)


Article DOI: 10.1021/jm401536b
BindingDB Entry DOI: 10.7270/Q2JQ12HR
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50008241
PNG
(CHEMBL3235114)
Show SMILES CC(C)c1cc(c(O)cc1O)-n1nnc(C(=O)NC2CCCC2)c1-c1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C28H35N5O4/c1-18(2)22-15-23(25(35)16-24(22)34)33-27(26(30-31-33)28(36)29-21-5-3-4-6-21)20-9-7-19(8-10-20)17-32-11-13-37-14-12-32/h7-10,15-16,18,21,34-35H,3-6,11-14,17H2,1-2H3,(H,29,36)
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n/an/a 27n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of GM-FITC from full-length recombinant human Hsp90-alpha after 4 hrs by fluorescence polarization assay


J Med Chem 57: 2258-74 (2014)


Article DOI: 10.1021/jm401536b
BindingDB Entry DOI: 10.7270/Q2JQ12HR
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50008242
PNG
(CHEMBL3235115)
Show SMILES CC(C)c1cc(c(O)cc1O)-n1nnc(C(=O)NC2CCCCC2)c1-c1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C29H37N5O4/c1-19(2)23-16-24(26(36)17-25(23)35)34-28(27(31-32-34)29(37)30-22-6-4-3-5-7-22)21-10-8-20(9-11-21)18-33-12-14-38-15-13-33/h8-11,16-17,19,22,35-36H,3-7,12-15,18H2,1-2H3,(H,30,37)
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n/an/a 95n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of GM-FITC from full-length recombinant human Hsp90-alpha after 4 hrs by fluorescence polarization assay


J Med Chem 57: 2258-74 (2014)


Article DOI: 10.1021/jm401536b
BindingDB Entry DOI: 10.7270/Q2JQ12HR
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50008244
PNG
(CHEMBL3235117)
Show SMILES CC(C)[C@H](NC(=O)c1nnn(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(C(C)C)c(O)cc1O)C(O)=O
Show InChI InChI=1S/C28H35N5O6/c1-16(2)20-13-21(23(35)14-22(20)34)33-26(25(30-31-33)27(36)29-24(17(3)4)28(37)38)19-7-5-18(6-8-19)15-32-9-11-39-12-10-32/h5-8,13-14,16-17,24,34-35H,9-12,15H2,1-4H3,(H,29,36)(H,37,38)/t24-/m0/s1
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n/an/a 181n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of GM-FITC from full-length recombinant human Hsp90-alpha after 4 hrs by fluorescence polarization assay


J Med Chem 57: 2258-74 (2014)


Article DOI: 10.1021/jm401536b
BindingDB Entry DOI: 10.7270/Q2JQ12HR
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50008256
PNG
(CHEMBL3234767)
Show SMILES CCNC(=O)c1nnn(c1-c1ccc(CN2CCC[C@H](O)C2)cc1)-c1cc(C(C)C)c(O)cc1O
Show InChI InChI=1S/C26H33N5O4/c1-4-27-26(35)24-25(18-9-7-17(8-10-18)14-30-11-5-6-19(32)15-30)31(29-28-24)21-12-20(16(2)3)22(33)13-23(21)34/h7-10,12-13,16,19,32-34H,4-6,11,14-15H2,1-3H3,(H,27,35)/t19-/m0/s1
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n/an/a 23n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of GM-FITC from full-length recombinant human Hsp90-alpha after 4 hrs by fluorescence polarization assay


J Med Chem 57: 2258-74 (2014)


Article DOI: 10.1021/jm401536b
BindingDB Entry DOI: 10.7270/Q2JQ12HR
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50008257
PNG
(CHEMBL3234768)
Show SMILES CCNC(=O)c1nnn(c1-c1ccc(CN2CCCCC2)cc1)-c1cc(C(C)C)c(O)cc1O
Show InChI InChI=1S/C26H33N5O3/c1-4-27-26(34)24-25(19-10-8-18(9-11-19)16-30-12-6-5-7-13-30)31(29-28-24)21-14-20(17(2)3)22(32)15-23(21)33/h8-11,14-15,17,32-33H,4-7,12-13,16H2,1-3H3,(H,27,34)
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n/an/a 21n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of GM-FITC from full-length recombinant human Hsp90-alpha after 4 hrs by fluorescence polarization assay


J Med Chem 57: 2258-74 (2014)


Article DOI: 10.1021/jm401536b
BindingDB Entry DOI: 10.7270/Q2JQ12HR
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50008258
PNG
(CHEMBL3234769)
Show SMILES CCNC(=O)c1nnn(c1-c1ccc(CN2CCCC2)cc1)-c1cc(C(C)C)c(O)cc1O
Show InChI InChI=1S/C25H31N5O3/c1-4-26-25(33)23-24(18-9-7-17(8-10-18)15-29-11-5-6-12-29)30(28-27-23)20-13-19(16(2)3)21(31)14-22(20)32/h7-10,13-14,16,31-32H,4-6,11-12,15H2,1-3H3,(H,26,33)
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n/an/a<5n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of GM-FITC from full-length recombinant human Hsp90-alpha after 4 hrs by fluorescence polarization assay


J Med Chem 57: 2258-74 (2014)


Article DOI: 10.1021/jm401536b
BindingDB Entry DOI: 10.7270/Q2JQ12HR
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50008261
PNG
(CHEMBL3234772)
Show SMILES CCNC(=O)c1nnn(c1-c1ccc(CN(CC)CC)cc1)-c1cc(C(C)C)c(O)cc1O
Show InChI InChI=1S/C25H33N5O3/c1-6-26-25(33)23-24(18-11-9-17(10-12-18)15-29(7-2)8-3)30(28-27-23)20-13-19(16(4)5)21(31)14-22(20)32/h9-14,16,31-32H,6-8,15H2,1-5H3,(H,26,33)
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n/an/a 25n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of GM-FITC from full-length recombinant human Hsp90-alpha after 4 hrs by fluorescence polarization assay


J Med Chem 57: 2258-74 (2014)


Article DOI: 10.1021/jm401536b
BindingDB Entry DOI: 10.7270/Q2JQ12HR
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50008262
PNG
(CHEMBL3234773)
Show SMILES CCNC(=O)c1nnn(c1-c1ccc(CN(CC)CCO)cc1)-c1cc(C(C)C)c(O)cc1O
Show InChI InChI=1S/C25H33N5O4/c1-5-26-25(34)23-24(18-9-7-17(8-10-18)15-29(6-2)11-12-31)30(28-27-23)20-13-19(16(3)4)21(32)14-22(20)33/h7-10,13-14,16,31-33H,5-6,11-12,15H2,1-4H3,(H,26,34)
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n/an/a<5n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of GM-FITC from full-length recombinant human Hsp90-alpha after 4 hrs by fluorescence polarization assay


J Med Chem 57: 2258-74 (2014)


Article DOI: 10.1021/jm401536b
BindingDB Entry DOI: 10.7270/Q2JQ12HR
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50008263
PNG
(CHEMBL3234774)
Show SMILES CCNC(=O)c1nnn(c1-c1ccc(CN2CCNCC2)cc1)-c1cc(C(C)C)c(O)cc1O
Show InChI InChI=1S/C25H32N6O3/c1-4-27-25(34)23-24(18-7-5-17(6-8-18)15-30-11-9-26-10-12-30)31(29-28-23)20-13-19(16(2)3)21(32)14-22(20)33/h5-8,13-14,16,26,32-33H,4,9-12,15H2,1-3H3,(H,27,34)
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n/an/a<5n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of GM-FITC from full-length recombinant human Hsp90-alpha after 4 hrs by fluorescence polarization assay


J Med Chem 57: 2258-74 (2014)


Article DOI: 10.1021/jm401536b
BindingDB Entry DOI: 10.7270/Q2JQ12HR
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50008264
PNG
(CHEMBL3234775)
Show SMILES CCNC(=O)c1nnn(c1-c1ccc(CN2CCN(C)CC2)cc1)-c1cc(C(C)C)c(O)cc1O
Show InChI InChI=1S/C26H34N6O3/c1-5-27-26(35)24-25(19-8-6-18(7-9-19)16-31-12-10-30(4)11-13-31)32(29-28-24)21-14-20(17(2)3)22(33)15-23(21)34/h6-9,14-15,17,33-34H,5,10-13,16H2,1-4H3,(H,27,35)
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n/an/a<5n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of GM-FITC from full-length recombinant human Hsp90-alpha after 4 hrs by fluorescence polarization assay


J Med Chem 57: 2258-74 (2014)


Article DOI: 10.1021/jm401536b
BindingDB Entry DOI: 10.7270/Q2JQ12HR
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50008266
PNG
(CHEMBL3234777)
Show SMILES CCNC(=O)c1nnn(c1-c1ccc(CN2CC[C@@H](C2)N(C)C)cc1)-c1cc(C(C)C)c(O)cc1O
Show InChI InChI=1S/C27H36N6O3/c1-6-28-27(36)25-26(33(30-29-25)22-13-21(17(2)3)23(34)14-24(22)35)19-9-7-18(8-10-19)15-32-12-11-20(16-32)31(4)5/h7-10,13-14,17,20,34-35H,6,11-12,15-16H2,1-5H3,(H,28,36)/t20-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of GM-FITC from full-length recombinant human Hsp90-alpha after 4 hrs by fluorescence polarization assay


J Med Chem 57: 2258-74 (2014)


Article DOI: 10.1021/jm401536b
BindingDB Entry DOI: 10.7270/Q2JQ12HR
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50008238
PNG
(CHEMBL3235111)
Show SMILES CCNC(=O)c1nnn(c1-c1ccc(CNC2CCN(C)CC2)cc1)-c1cc(C(C)C)c(O)cc1O
Show InChI InChI=1S/C27H36N6O3/c1-5-28-27(36)25-26(33(31-30-25)22-14-21(17(2)3)23(34)15-24(22)35)19-8-6-18(7-9-19)16-29-20-10-12-32(4)13-11-20/h6-9,14-15,17,20,29,34-35H,5,10-13,16H2,1-4H3,(H,28,36)
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n/an/a 32n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of GM-FITC from full-length recombinant human Hsp90-alpha after 4 hrs by fluorescence polarization assay


J Med Chem 57: 2258-74 (2014)


Article DOI: 10.1021/jm401536b
BindingDB Entry DOI: 10.7270/Q2JQ12HR
More data for this
Ligand-Target Pair