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PubMed code 27003516

Compile data set for download or QSAR
Found 78 hits of Enzyme Inhibition Constant Data   
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))		BDBM50169705
PNG
(CHEMBL3805428)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccc(C)o1
Show InChI InChI=1S/C19H19ClN2O5/c1-11-3-4-12(27-11)10-22-8-7-21-16(22)6-5-13-17(19(25)26-2)14(23)9-15(24)18(13)20/h3-4,7-9,23-24H,5-6,10H2,1-2H3
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n/an/an/a 2.66E+4n/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Apparent binding affinity to Hsp90alpha (unknown origin) after 24 hrs by fluorescence polarization assay using FITC-GDA as tracer

J Med Chem 59: 3471-88 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00085
BindingDB Entry DOI: 10.7270/Q2H133X3
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))		BDBM50169753
PNG
(CHEMBL3805991)
Show SMILES CCc1ccsc1Cn1ccnc1CCc1c(Cl)c(O)cc(O)c1C(=O)OC
Show InChI InChI=1S/C20H21ClN2O4S/c1-3-12-6-9-28-16(12)11-23-8-7-22-17(23)5-4-13-18(20(26)27-2)14(24)10-15(25)19(13)21/h6-10,24-25H,3-5,11H2,1-2H3
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n/an/an/a 6.94E+3n/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Apparent binding affinity to Hsp90alpha (unknown origin) after 24 hrs by fluorescence polarization assay using FITC-GDA as tracer

J Med Chem 59: 3471-88 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00085
BindingDB Entry DOI: 10.7270/Q2H133X3
More data for this
Ligand-Target Pair
Endoplasmin


(Homo sapiens (Human))		BDBM50169934
PNG
(CHEMBL3805146)
Show SMILES CCc1ccccc1Cn1ccnc1CCc1c(Cl)c(O)cc(O)c1C(=O)OC
Show InChI InChI=1S/C22H23ClN2O4/c1-3-14-6-4-5-7-15(14)13-25-11-10-24-19(25)9-8-16-20(22(28)29-2)17(26)12-18(27)21(16)23/h4-7,10-12,26-27H,3,8-9,13H2,1-2H3
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n/an/an/a 810n/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Apparent binding affinity to Grp94 (unknown origin) after 24 hrs by fluorescence polarization assay using FITC-GDA as tracer

J Med Chem 59: 3471-88 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00085
BindingDB Entry DOI: 10.7270/Q2H133X3
More data for this
Ligand-Target Pair
Endoplasmin


(Homo sapiens (Human))		BDBM50169714
PNG
(CHEMBL3804936)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccno1
Show InChI InChI=1S/C17H16ClN3O5/c1-25-17(24)15-11(16(18)13(23)8-12(15)22)2-3-14-19-6-7-21(14)9-10-4-5-20-26-10/h4-8,22-23H,2-3,9H2,1H3
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n/an/an/a 400n/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Apparent binding affinity to Grp94 (unknown origin) after 24 hrs by fluorescence polarization assay using FITC-GDA as tracer

J Med Chem 59: 3471-88 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00085
BindingDB Entry DOI: 10.7270/Q2H133X3
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))		BDBM50169783
PNG
(CHEMBL3805570)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccc(F)cc1
Show InChI InChI=1S/C20H18ClFN2O4/c1-28-20(27)18-14(19(21)16(26)10-15(18)25)6-7-17-23-8-9-24(17)11-12-2-4-13(22)5-3-12/h2-5,8-10,25-26H,6-7,11H2,1H3
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n/an/an/a 2.34E+4n/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Apparent binding affinity to Hsp90alpha (unknown origin) after 24 hrs by fluorescence polarization assay using FITC-GDA as tracer

J Med Chem 59: 3471-88 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00085
BindingDB Entry DOI: 10.7270/Q2H133X3
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))		BDBM50169941
PNG
(CHEMBL3806120)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccccc1C(F)(F)F
Show InChI InChI=1S/C21H18ClF3N2O4/c1-31-20(30)18-13(19(22)16(29)10-15(18)28)6-7-17-26-8-9-27(17)11-12-4-2-3-5-14(12)21(23,24)25/h2-5,8-10,28-29H,6-7,11H2,1H3
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n/an/an/a 1.93E+4n/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Apparent binding affinity to Hsp90alpha (unknown origin) after 24 hrs by fluorescence polarization assay using FITC-GDA as tracer

J Med Chem 59: 3471-88 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00085
BindingDB Entry DOI: 10.7270/Q2H133X3
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))		BDBM50169703
PNG
(CHEMBL3805526)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccoc1
Show InChI InChI=1S/C18H17ClN2O5/c1-25-18(24)16-12(17(19)14(23)8-13(16)22)2-3-15-20-5-6-21(15)9-11-4-7-26-10-11/h4-8,10,22-23H,2-3,9H2,1H3
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n/an/an/a 3.77E+3n/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Apparent binding affinity to Hsp90alpha (unknown origin) after 24 hrs by fluorescence polarization assay using FITC-GDA as tracer

J Med Chem 59: 3471-88 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00085
BindingDB Entry DOI: 10.7270/Q2H133X3
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))		BDBM50169706
PNG
(CHEMBL3804872)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccc(Cl)o1
Show InChI InChI=1S/C18H16Cl2N2O5/c1-26-18(25)16-11(17(20)13(24)8-12(16)23)3-5-15-21-6-7-22(15)9-10-2-4-14(19)27-10/h2,4,6-8,23-24H,3,5,9H2,1H3
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n/an/an/a 8.31E+3n/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Apparent binding affinity to Hsp90alpha (unknown origin) after 24 hrs by fluorescence polarization assay using FITC-GDA as tracer

J Med Chem 59: 3471-88 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00085
BindingDB Entry DOI: 10.7270/Q2H133X3
More data for this
Ligand-Target Pair
Endoplasmin


(Homo sapiens (Human))		BDBM50169875
PNG
(CHEMBL3806136)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccc(cc1)C#C
Show InChI InChI=1S/C22H19ClN2O4/c1-3-14-4-6-15(7-5-14)13-25-11-10-24-19(25)9-8-16-20(22(28)29-2)17(26)12-18(27)21(16)23/h1,4-7,10-12,26-27H,8-9,13H2,2H3
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n/an/an/a 1.40E+3n/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Apparent binding affinity to Grp94 (unknown origin) after 24 hrs by fluorescence polarization assay using FITC-GDA as tracer

J Med Chem 59: 3471-88 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00085
BindingDB Entry DOI: 10.7270/Q2H133X3
More data for this
Ligand-Target Pair
Endoplasmin


(Homo sapiens (Human))		BDBM50169877
PNG
(CHEMBL3805920)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1cccc(F)c1
Show InChI InChI=1S/C65H97N23O13/c66-26-8-7-17-42(54(67)93)82-61(100)50-21-12-30-88(50)62(101)45(20-11-29-76-65(72)73)85-60(99)49-35-78-51(90)33-48(59(98)84-43(18-9-27-74-63(68)69)56(95)83-44(57(96)87-49)19-10-28-75-64(70)71)86-58(97)47(32-38-13-3-1-4-14-38)81-53(92)37-79-52(91)36-80-55(94)46(31-39-22-24-41(89)25-23-39)77-34-40-15-5-2-6-16-40/h1-6,13-16,22-25,42-50,77,89H,7-12,17-21,26-37,66H2,(H2,67,93)(H,78,90)(H,79,91)(H,80,94)(H,81,92)(H,82,100)(H,83,95)(H,84,98)(H,85,99)(H,86,97)(H,87,96)(H4,68,69,74)(H4,70,71,75)(H4,72,73,76)/t42-,43+,44-,45-,46-,47-,48-,49-,50-/m0/s1
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n/an/an/a 1.53E+3n/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Apparent binding affinity to Grp94 (unknown origin) after 24 hrs by fluorescence polarization assay using FITC-GDA as tracer

J Med Chem 59: 3471-88 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00085
BindingDB Entry DOI: 10.7270/Q2H133X3
More data for this
Ligand-Target Pair
Endoplasmin


(Homo sapiens (Human))		BDBM50169926
PNG
(CHEMBL3805121)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccccc1OC
Show InChI InChI=1S/C21H21ClN2O5/c1-28-17-6-4-3-5-13(17)12-24-10-9-23-18(24)8-7-14-19(21(27)29-2)15(25)11-16(26)20(14)22/h3-6,9-11,25-26H,7-8,12H2,1-2H3
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n/an/an/a 1.30E+3n/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Apparent binding affinity to Grp94 (unknown origin) after 24 hrs by fluorescence polarization assay using FITC-GDA as tracer

J Med Chem 59: 3471-88 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00085
BindingDB Entry DOI: 10.7270/Q2H133X3
More data for this
Ligand-Target Pair
Endoplasmin


(Homo sapiens (Human))		BDBM50169709
PNG
(CHEMBL3805004)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccsc1
Show InChI InChI=1S/C18H17ClN2O4S/c1-25-18(24)16-12(17(19)14(23)8-13(16)22)2-3-15-20-5-6-21(15)9-11-4-7-26-10-11/h4-8,10,22-23H,2-3,9H2,1H3
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n/an/an/a 2.14E+3n/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Apparent binding affinity to Grp94 (unknown origin) after 24 hrs by fluorescence polarization assay using FITC-GDA as tracer

J Med Chem 59: 3471-88 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00085
BindingDB Entry DOI: 10.7270/Q2H133X3
More data for this
Ligand-Target Pair
Endoplasmin


(Homo sapiens (Human))		BDBM50169741
PNG
(CHEMBL3805612)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1occc1C=C
Show InChI InChI=1S/C20H19ClN2O5/c1-3-12-6-9-28-16(12)11-23-8-7-22-17(23)5-4-13-18(20(26)27-2)14(24)10-15(25)19(13)21/h3,6-10,24-25H,1,4-5,11H2,2H3
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n/an/an/a 2.36E+3n/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Apparent binding affinity to Grp94 (unknown origin) after 24 hrs by fluorescence polarization assay using FITC-GDA as tracer

J Med Chem 59: 3471-88 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00085
BindingDB Entry DOI: 10.7270/Q2H133X3
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))		BDBM50169881
PNG
(CHEMBL3805571)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccccc1C
Show InChI InChI=1S/C21H21ClN2O4/c1-13-5-3-4-6-14(13)12-24-10-9-23-18(24)8-7-15-19(21(27)28-2)16(25)11-17(26)20(15)22/h3-6,9-11,25-26H,7-8,12H2,1-2H3
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n/an/an/a 6.81E+4n/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Apparent binding affinity to Hsp90alpha (unknown origin) after 24 hrs by fluorescence polarization assay using FITC-GDA as tracer

J Med Chem 59: 3471-88 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00085
BindingDB Entry DOI: 10.7270/Q2H133X3
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))		BDBM50169754
PNG
(CHEMBL3805110)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccccn1
Show InChI InChI=1S/C19H18ClN3O4/c1-27-19(26)17-13(18(20)15(25)10-14(17)24)5-6-16-22-8-9-23(16)11-12-4-2-3-7-21-12/h2-4,7-10,24-25H,5-6,11H2,1H3
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n/an/an/a 9.92E+3n/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Apparent binding affinity to Hsp90alpha (unknown origin) after 24 hrs by fluorescence polarization assay using FITC-GDA as tracer

J Med Chem 59: 3471-88 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00085
BindingDB Entry DOI: 10.7270/Q2H133X3
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))		BDBM50169781
PNG
(CHEMBL3804958)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1cccnc1
Show InChI InChI=1S/C19H18ClN3O4/c1-27-19(26)17-13(18(20)15(25)9-14(17)24)4-5-16-22-7-8-23(16)11-12-3-2-6-21-10-12/h2-3,6-10,24-25H,4-5,11H2,1H3
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n/an/an/a 5.41E+3n/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Apparent binding affinity to Hsp90alpha (unknown origin) after 24 hrs by fluorescence polarization assay using FITC-GDA as tracer

J Med Chem 59: 3471-88 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00085
BindingDB Entry DOI: 10.7270/Q2H133X3
More data for this
Ligand-Target Pair
Endoplasmin


(Homo sapiens (Human))		BDBM50087812
PNG
(CHEMBL3426787)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccccc1
Show InChI InChI=1S/C20H19ClN2O4/c1-27-20(26)18-14(19(21)16(25)11-15(18)24)7-8-17-22-9-10-23(17)12-13-5-3-2-4-6-13/h2-6,9-11,24-25H,7-8,12H2,1H3
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n/an/an/a 1.14E+3n/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Apparent binding affinity to Grp94 (unknown origin) after 24 hrs by fluorescence polarization assay using FITC-GDA as tracer

J Med Chem 59: 3471-88 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00085
BindingDB Entry DOI: 10.7270/Q2H133X3
More data for this
Ligand-Target Pair
Endoplasmin


(Homo sapiens (Human))		BDBM50169817
PNG
(CHEMBL3805621)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccc(Br)cc1
Show InChI InChI=1S/C20H18BrClN2O4/c1-28-20(27)18-14(19(22)16(26)10-15(18)25)6-7-17-23-8-9-24(17)11-12-2-4-13(21)5-3-12/h2-5,8-10,25-26H,6-7,11H2,1H3
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n/an/an/a 960n/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Apparent binding affinity to Grp94 (unknown origin) after 24 hrs by fluorescence polarization assay using FITC-GDA as tracer

J Med Chem 59: 3471-88 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00085
BindingDB Entry DOI: 10.7270/Q2H133X3
More data for this
Ligand-Target Pair
Endoplasmin


(Homo sapiens (Human))		BDBM50169843
PNG
(CHEMBL3805286)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccc(C)cc1
Show InChI InChI=1S/C21H21ClN2O4/c1-13-3-5-14(6-4-13)12-24-10-9-23-18(24)8-7-15-19(21(27)28-2)16(25)11-17(26)20(15)22/h3-6,9-11,25-26H,7-8,12H2,1-2H3
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n/an/an/a 730n/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Apparent binding affinity to Grp94 (unknown origin) after 24 hrs by fluorescence polarization assay using FITC-GDA as tracer

J Med Chem 59: 3471-88 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00085
BindingDB Entry DOI: 10.7270/Q2H133X3
More data for this
Ligand-Target Pair
Endoplasmin


(Homo sapiens (Human))		BDBM50169881
PNG
(CHEMBL3805571)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccccc1C
Show InChI InChI=1S/C21H21ClN2O4/c1-13-5-3-4-6-14(13)12-24-10-9-23-18(24)8-7-15-19(21(27)28-2)16(25)11-17(26)20(15)22/h3-6,9-11,25-26H,7-8,12H2,1-2H3
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n/an/an/a 3.00E+3n/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Apparent binding affinity to Grp94 (unknown origin) after 24 hrs by fluorescence polarization assay using FITC-GDA as tracer

J Med Chem 59: 3471-88 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00085
BindingDB Entry DOI: 10.7270/Q2H133X3
More data for this
Ligand-Target Pair
Endoplasmin


(Homo sapiens (Human))		BDBM50169713
PNG
(CHEMBL3804981)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1sccc1Cl
Show InChI InChI=1S/C18H16Cl2N2O4S/c1-26-18(25)16-10(17(20)13(24)8-12(16)23)2-3-15-21-5-6-22(15)9-14-11(19)4-7-27-14/h4-8,23-24H,2-3,9H2,1H3
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n/an/an/a 760n/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Apparent binding affinity to Grp94 (unknown origin) after 24 hrs by fluorescence polarization assay using FITC-GDA as tracer

J Med Chem 59: 3471-88 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00085
BindingDB Entry DOI: 10.7270/Q2H133X3
More data for this
Ligand-Target Pair
Endoplasmin


(Homo sapiens (Human))		BDBM50169754
PNG
(CHEMBL3805110)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccccn1
Show InChI InChI=1S/C19H18ClN3O4/c1-27-19(26)17-13(18(20)15(25)10-14(17)24)5-6-16-22-8-9-23(16)11-12-4-2-3-7-21-12/h2-4,7-10,24-25H,5-6,11H2,1H3
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n/an/an/a 4.94E+3n/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Apparent binding affinity to Grp94 (unknown origin) after 24 hrs by fluorescence polarization assay using FITC-GDA as tracer

J Med Chem 59: 3471-88 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00085
BindingDB Entry DOI: 10.7270/Q2H133X3
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))		BDBM50169878
PNG
(CHEMBL3806252)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccccc1F
Show InChI InChI=1S/C20H18ClFN2O4/c1-28-20(27)18-13(19(21)16(26)10-15(18)25)6-7-17-23-8-9-24(17)11-12-4-2-3-5-14(12)22/h2-5,8-10,25-26H,6-7,11H2,1H3
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n/an/an/a 1.14E+4n/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Apparent binding affinity to Hsp90alpha (unknown origin) after 24 hrs by fluorescence polarization assay using FITC-GDA as tracer

J Med Chem 59: 3471-88 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00085
BindingDB Entry DOI: 10.7270/Q2H133X3
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))		BDBM50169935
PNG
(CHEMBL3805249)
Show SMILES CCOc1ccccc1Cn1ccnc1CCc1c(Cl)c(O)cc(O)c1C(=O)OC
Show InChI InChI=1S/C22H23ClN2O5/c1-3-30-18-7-5-4-6-14(18)13-25-11-10-24-19(25)9-8-15-20(22(28)29-2)16(26)12-17(27)21(15)23/h4-7,10-12,26-27H,3,8-9,13H2,1-2H3
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n/an/an/a 8.10E+3n/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Apparent binding affinity to Hsp90alpha (unknown origin) after 24 hrs by fluorescence polarization assay using FITC-GDA as tracer

J Med Chem 59: 3471-88 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00085
BindingDB Entry DOI: 10.7270/Q2H133X3
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))		BDBM50169939
PNG
(CHEMBL3805519)
Show SMILES CCCOc1ccccc1Cn1ccnc1CCc1c(Cl)c(O)cc(O)c1C(=O)OC
Show InChI InChI=1S/C23H25ClN2O5/c1-3-12-31-19-7-5-4-6-15(19)14-26-11-10-25-20(26)9-8-16-21(23(29)30-2)17(27)13-18(28)22(16)24/h4-7,10-11,13,27-28H,3,8-9,12,14H2,1-2H3
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n/an/an/a 2.30E+3n/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Apparent binding affinity to Hsp90alpha (unknown origin) after 24 hrs by fluorescence polarization assay using FITC-GDA as tracer

J Med Chem 59: 3471-88 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00085
BindingDB Entry DOI: 10.7270/Q2H133X3
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))		BDBM50169944
PNG
(CHEMBL3805792)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccc(C)cc1OC
Show InChI InChI=1S/C22H23ClN2O5/c1-13-4-5-14(18(10-13)29-2)12-25-9-8-24-19(25)7-6-15-20(22(28)30-3)16(26)11-17(27)21(15)23/h4-5,8-11,26-27H,6-7,12H2,1-3H3
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n/an/an/a 7.25E+4n/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Apparent binding affinity to Hsp90alpha (unknown origin) after 24 hrs by fluorescence polarization assay using FITC-GDA as tracer

J Med Chem 59: 3471-88 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00085
BindingDB Entry DOI: 10.7270/Q2H133X3
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))		BDBM50169707
PNG
(CHEMBL3805794)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1oc(C)cc1C
Show InChI InChI=1S/C20H21ClN2O5/c1-11-8-12(2)28-16(11)10-23-7-6-22-17(23)5-4-13-18(20(26)27-3)14(24)9-15(25)19(13)21/h6-9,24-25H,4-5,10H2,1-3H3
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n/an/an/a 9.20E+3n/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Apparent binding affinity to Hsp90alpha (unknown origin) after 24 hrs by fluorescence polarization assay using FITC-GDA as tracer

J Med Chem 59: 3471-88 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00085
BindingDB Entry DOI: 10.7270/Q2H133X3
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))		BDBM50169709
PNG
(CHEMBL3805004)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccsc1
Show InChI InChI=1S/C18H17ClN2O4S/c1-25-18(24)16-12(17(19)14(23)8-13(16)22)2-3-15-20-5-6-21(15)9-11-4-7-26-10-11/h4-8,10,22-23H,2-3,9H2,1H3
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n/an/an/a 6.54E+3n/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Apparent binding affinity to Hsp90alpha (unknown origin) after 24 hrs by fluorescence polarization assay using FITC-GDA as tracer

J Med Chem 59: 3471-88 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00085
BindingDB Entry DOI: 10.7270/Q2H133X3
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))		BDBM50169716
PNG
(CHEMBL3805350)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1sccc1C=C
Show InChI InChI=1S/C20H19ClN2O4S/c1-3-12-6-9-28-16(12)11-23-8-7-22-17(23)5-4-13-18(20(26)27-2)14(24)10-15(25)19(13)21/h3,6-10,24-25H,1,4-5,11H2,2H3
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n/an/an/a 3.67E+4n/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Apparent binding affinity to Hsp90alpha (unknown origin) after 24 hrs by fluorescence polarization assay using FITC-GDA as tracer

J Med Chem 59: 3471-88 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00085
BindingDB Entry DOI: 10.7270/Q2H133X3
More data for this
Ligand-Target Pair
Endoplasmin


(Homo sapiens (Human))		BDBM50169879
PNG
(CHEMBL3805874)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccccc1Cl
Show InChI InChI=1S/C20H18Cl2N2O4/c1-28-20(27)18-13(19(22)16(26)10-15(18)25)6-7-17-23-8-9-24(17)11-12-4-2-3-5-14(12)21/h2-5,8-10,25-26H,6-7,11H2,1H3
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n/an/an/a 1.39E+3n/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Apparent binding affinity to Grp94 (unknown origin) after 24 hrs by fluorescence polarization assay using FITC-GDA as tracer

J Med Chem 59: 3471-88 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00085
BindingDB Entry DOI: 10.7270/Q2H133X3
More data for this
Ligand-Target Pair
Endoplasmin


(Homo sapiens (Human))		BDBM50169935
PNG
(CHEMBL3805249)
Show SMILES CCOc1ccccc1Cn1ccnc1CCc1c(Cl)c(O)cc(O)c1C(=O)OC
Show InChI InChI=1S/C22H23ClN2O5/c1-3-30-18-7-5-4-6-14(18)13-25-11-10-24-19(25)9-8-15-20(22(28)29-2)16(26)12-17(27)21(15)23/h4-7,10-12,26-27H,3,8-9,13H2,1-2H3
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n/an/an/a 200n/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Apparent binding affinity to Grp94 (unknown origin) after 24 hrs by fluorescence polarization assay using FITC-GDA as tracer

J Med Chem 59: 3471-88 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00085
BindingDB Entry DOI: 10.7270/Q2H133X3
More data for this
Ligand-Target Pair
Endoplasmin


(Homo sapiens (Human))		BDBM50169939
PNG
(CHEMBL3805519)
Show SMILES CCCOc1ccccc1Cn1ccnc1CCc1c(Cl)c(O)cc(O)c1C(=O)OC
Show InChI InChI=1S/C23H25ClN2O5/c1-3-12-31-19-7-5-4-6-15(19)14-26-11-10-25-20(26)9-8-16-21(23(29)30-2)17(27)13-18(28)22(16)24/h4-7,10-11,13,27-28H,3,8-9,12,14H2,1-2H3
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n/an/an/a 250n/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Apparent binding affinity to Grp94 (unknown origin) after 24 hrs by fluorescence polarization assay using FITC-GDA as tracer

J Med Chem 59: 3471-88 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00085
BindingDB Entry DOI: 10.7270/Q2H133X3
More data for this
Ligand-Target Pair
Endoplasmin


(Homo sapiens (Human))		BDBM50169707
PNG
(CHEMBL3805794)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1oc(C)cc1C
Show InChI InChI=1S/C20H21ClN2O5/c1-11-8-12(2)28-16(11)10-23-7-6-22-17(23)5-4-13-18(20(26)27-3)14(24)9-15(25)19(13)21/h6-9,24-25H,4-5,10H2,1-3H3
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n/an/an/a 350n/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Apparent binding affinity to Grp94 (unknown origin) after 24 hrs by fluorescence polarization assay using FITC-GDA as tracer

J Med Chem 59: 3471-88 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00085
BindingDB Entry DOI: 10.7270/Q2H133X3
More data for this
Ligand-Target Pair
Endoplasmin


(Homo sapiens (Human))		BDBM50169715
PNG
(CHEMBL3805853)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1nccs1
Show InChI InChI=1S/C17H16ClN3O4S/c1-25-17(24)15-10(16(18)12(23)8-11(15)22)2-3-13-19-4-6-21(13)9-14-20-5-7-26-14/h4-8,22-23H,2-3,9H2,1H3
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n/an/an/a 2.50E+3n/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Apparent binding affinity to Grp94 (unknown origin) after 24 hrs by fluorescence polarization assay using FITC-GDA as tracer

J Med Chem 59: 3471-88 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00085
BindingDB Entry DOI: 10.7270/Q2H133X3
More data for this
Ligand-Target Pair
Endoplasmin


(Homo sapiens (Human))		BDBM50169753
PNG
(CHEMBL3805991)
Show SMILES CCc1ccsc1Cn1ccnc1CCc1c(Cl)c(O)cc(O)c1C(=O)OC
Show InChI InChI=1S/C20H21ClN2O4S/c1-3-12-6-9-28-16(12)11-23-8-7-22-17(23)5-4-13-18(20(26)27-2)14(24)10-15(25)19(13)21/h6-10,24-25H,3-5,11H2,1-2H3
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n/an/an/a 720n/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Apparent binding affinity to Grp94 (unknown origin) after 24 hrs by fluorescence polarization assay using FITC-GDA as tracer

J Med Chem 59: 3471-88 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00085
BindingDB Entry DOI: 10.7270/Q2H133X3
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))		BDBM50169936
PNG
(CHEMBL3805415)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccccc1OC(C)C
Show InChI InChI=1S/C23H25ClN2O5/c1-14(2)31-19-7-5-4-6-15(19)13-26-11-10-25-20(26)9-8-16-21(23(29)30-3)17(27)12-18(28)22(16)24/h4-7,10-12,14,27-28H,8-9,13H2,1-3H3
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n/an/an/a 240n/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Apparent binding affinity to Hsp90alpha (unknown origin) after 24 hrs by fluorescence polarization assay using FITC-GDA as tracer

J Med Chem 59: 3471-88 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00085
BindingDB Entry DOI: 10.7270/Q2H133X3
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))		BDBM50169708
PNG
(CHEMBL3805768)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1cccs1
Show InChI InChI=1S/C18H17ClN2O4S/c1-25-18(24)16-12(17(19)14(23)9-13(16)22)4-5-15-20-6-7-21(15)10-11-3-2-8-26-11/h2-3,6-9,22-23H,4-5,10H2,1H3
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n/an/an/a 3.92E+3n/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Apparent binding affinity to Hsp90alpha (unknown origin) after 24 hrs by fluorescence polarization assay using FITC-GDA as tracer

J Med Chem 59: 3471-88 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00085
BindingDB Entry DOI: 10.7270/Q2H133X3
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))		BDBM50169711
PNG
(CHEMBL3805965)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccc(Cl)s1
Show InChI InChI=1S/C18H16Cl2N2O4S/c1-26-18(25)16-11(17(20)13(24)8-12(16)23)3-5-15-21-6-7-22(15)9-10-2-4-14(19)27-10/h2,4,6-8,23-24H,3,5,9H2,1H3
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n/an/an/a 3.47E+4n/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Apparent binding affinity to Hsp90alpha (unknown origin) after 24 hrs by fluorescence polarization assay using FITC-GDA as tracer

J Med Chem 59: 3471-88 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00085
BindingDB Entry DOI: 10.7270/Q2H133X3
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))		BDBM50169714
PNG
(CHEMBL3804936)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccno1
Show InChI InChI=1S/C17H16ClN3O5/c1-25-17(24)15-11(16(18)13(23)8-12(15)22)2-3-14-19-6-7-21(14)9-10-4-5-20-26-10/h4-8,22-23H,2-3,9H2,1H3
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n/an/an/a 810n/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Apparent binding affinity to Hsp90alpha (unknown origin) after 24 hrs by fluorescence polarization assay using FITC-GDA as tracer

J Med Chem 59: 3471-88 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00085
BindingDB Entry DOI: 10.7270/Q2H133X3
More data for this
Ligand-Target Pair
Endoplasmin


(Homo sapiens (Human))		BDBM50169784
PNG
(CHEMBL3804944)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C20H18Cl2N2O4/c1-28-20(27)18-14(19(22)16(26)10-15(18)25)6-7-17-23-8-9-24(17)11-12-2-4-13(21)5-3-12/h2-5,8-10,25-26H,6-7,11H2,1H3
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n/an/an/a 810n/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Apparent binding affinity to Grp94 (unknown origin) after 24 hrs by fluorescence polarization assay using FITC-GDA as tracer

J Med Chem 59: 3471-88 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00085
BindingDB Entry DOI: 10.7270/Q2H133X3
More data for this
Ligand-Target Pair
Endoplasmin


(Homo sapiens (Human))		BDBM50169880
PNG
(CHEMBL3804985)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccccc1Br
Show InChI InChI=1S/C20H18BrClN2O4/c1-28-20(27)18-13(19(22)16(26)10-15(18)25)6-7-17-23-8-9-24(17)11-12-4-2-3-5-14(12)21/h2-5,8-10,25-26H,6-7,11H2,1H3
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n/an/an/a 1.60E+3n/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Apparent binding affinity to Grp94 (unknown origin) after 24 hrs by fluorescence polarization assay using FITC-GDA as tracer

J Med Chem 59: 3471-88 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00085
BindingDB Entry DOI: 10.7270/Q2H133X3
More data for this
Ligand-Target Pair
Endoplasmin


(Homo sapiens (Human))		BDBM50169936
PNG
(CHEMBL3805415)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccccc1OC(C)C
Show InChI InChI=1S/C23H25ClN2O5/c1-14(2)31-19-7-5-4-6-15(19)13-26-11-10-25-20(26)9-8-16-21(23(29)30-3)17(27)12-18(28)22(16)24/h4-7,10-12,14,27-28H,8-9,13H2,1-3H3
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n/an/an/a 90n/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Apparent binding affinity to Grp94 (unknown origin) after 24 hrs by fluorescence polarization assay using FITC-GDA as tracer

J Med Chem 59: 3471-88 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00085
BindingDB Entry DOI: 10.7270/Q2H133X3
More data for this
Ligand-Target Pair
Endoplasmin


(Homo sapiens (Human))		BDBM50169703
PNG
(CHEMBL3805526)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccoc1
Show InChI InChI=1S/C18H17ClN2O5/c1-25-18(24)16-12(17(19)14(23)8-13(16)22)2-3-15-20-5-6-21(15)9-11-4-7-26-10-11/h4-8,10,22-23H,2-3,9H2,1H3
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n/an/an/a 1.50E+3n/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Apparent binding affinity to Grp94 (unknown origin) after 24 hrs by fluorescence polarization assay using FITC-GDA as tracer

J Med Chem 59: 3471-88 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00085
BindingDB Entry DOI: 10.7270/Q2H133X3
More data for this
Ligand-Target Pair
Endoplasmin


(Homo sapiens (Human))		BDBM50169706
PNG
(CHEMBL3804872)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccc(Cl)o1
Show InChI InChI=1S/C18H16Cl2N2O5/c1-26-18(25)16-11(17(20)13(24)8-12(16)23)3-5-15-21-6-7-22(15)9-10-2-4-14(19)27-10/h2,4,6-8,23-24H,3,5,9H2,1H3
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n/an/an/a 440n/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Apparent binding affinity to Grp94 (unknown origin) after 24 hrs by fluorescence polarization assay using FITC-GDA as tracer

J Med Chem 59: 3471-88 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00085
BindingDB Entry DOI: 10.7270/Q2H133X3
More data for this
Ligand-Target Pair
Endoplasmin


(Homo sapiens (Human))		BDBM50169710
PNG
(CHEMBL3804875)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccc(C)s1
Show InChI InChI=1S/C19H19ClN2O4S/c1-11-3-4-12(27-11)10-22-8-7-21-16(22)6-5-13-17(19(25)26-2)14(23)9-15(24)18(13)20/h3-4,7-9,23-24H,5-6,10H2,1-2H3
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n/an/an/a 680n/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Apparent binding affinity to Grp94 (unknown origin) after 24 hrs by fluorescence polarization assay using FITC-GDA as tracer

J Med Chem 59: 3471-88 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00085
BindingDB Entry DOI: 10.7270/Q2H133X3
More data for this
Ligand-Target Pair
Endoplasmin


(Homo sapiens (Human))		BDBM50169716
PNG
(CHEMBL3805350)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1sccc1C=C
Show InChI InChI=1S/C20H19ClN2O4S/c1-3-12-6-9-28-16(12)11-23-8-7-22-17(23)5-4-13-18(20(26)27-2)14(24)10-15(25)19(13)21/h3,6-10,24-25H,1,4-5,11H2,2H3
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n/an/an/a 750n/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Apparent binding affinity to Grp94 (unknown origin) after 24 hrs by fluorescence polarization assay using FITC-GDA as tracer

J Med Chem 59: 3471-88 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00085
BindingDB Entry DOI: 10.7270/Q2H133X3
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))		BDBM50169843
PNG
(CHEMBL3805286)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccc(C)cc1
Show InChI InChI=1S/C21H21ClN2O4/c1-13-3-5-14(6-4-13)12-24-10-9-23-18(24)8-7-15-19(21(27)28-2)16(25)11-17(26)20(15)22/h3-6,9-11,25-26H,7-8,12H2,1-2H3
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n/an/an/a 2.52E+4n/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Apparent binding affinity to Hsp90alpha (unknown origin) after 24 hrs by fluorescence polarization assay using FITC-GDA as tracer

J Med Chem 59: 3471-88 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00085
BindingDB Entry DOI: 10.7270/Q2H133X3
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))		BDBM50169877
PNG
(CHEMBL3805920)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1cccc(F)c1
Show InChI InChI=1S/C65H97N23O13/c66-26-8-7-17-42(54(67)93)82-61(100)50-21-12-30-88(50)62(101)45(20-11-29-76-65(72)73)85-60(99)49-35-78-51(90)33-48(59(98)84-43(18-9-27-74-63(68)69)56(95)83-44(57(96)87-49)19-10-28-75-64(70)71)86-58(97)47(32-38-13-3-1-4-14-38)81-53(92)37-79-52(91)36-80-55(94)46(31-39-22-24-41(89)25-23-39)77-34-40-15-5-2-6-16-40/h1-6,13-16,22-25,42-50,77,89H,7-12,17-21,26-37,66H2,(H2,67,93)(H,78,90)(H,79,91)(H,80,94)(H,81,92)(H,82,100)(H,83,95)(H,84,98)(H,85,99)(H,86,97)(H,87,96)(H4,68,69,74)(H4,70,71,75)(H4,72,73,76)/t42-,43+,44-,45-,46-,47-,48-,49-,50-/m0/s1
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n/an/an/a 9.63E+3n/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Apparent binding affinity to Hsp90alpha (unknown origin) after 24 hrs by fluorescence polarization assay using FITC-GDA as tracer

J Med Chem 59: 3471-88 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00085
BindingDB Entry DOI: 10.7270/Q2H133X3
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))		BDBM50169713
PNG
(CHEMBL3804981)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1sccc1Cl
Show InChI InChI=1S/C18H16Cl2N2O4S/c1-26-18(25)16-10(17(20)13(24)8-12(16)23)2-3-15-21-5-6-22(15)9-14-11(19)4-7-27-14/h4-8,23-24H,2-3,9H2,1H3
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n/an/an/a 3.16E+3n/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Apparent binding affinity to Hsp90alpha (unknown origin) after 24 hrs by fluorescence polarization assay using FITC-GDA as tracer

J Med Chem 59: 3471-88 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00085
BindingDB Entry DOI: 10.7270/Q2H133X3
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))		BDBM50169782
PNG
(CHEMBL3805858)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1cncnc1
Show InChI InChI=1S/C18H17ClN4O4/c1-27-18(26)16-12(17(19)14(25)6-13(16)24)2-3-15-22-4-5-23(15)9-11-7-20-10-21-8-11/h4-8,10,24-25H,2-3,9H2,1H3
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n/an/an/a 9.92E+3n/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Apparent binding affinity to Hsp90alpha (unknown origin) after 24 hrs by fluorescence polarization assay using FITC-GDA as tracer

J Med Chem 59: 3471-88 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00085
BindingDB Entry DOI: 10.7270/Q2H133X3
More data for this
Ligand-Target Pair
Endoplasmin


(Homo sapiens (Human))		BDBM50169783
PNG
(CHEMBL3805570)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccc(F)cc1
Show InChI InChI=1S/C20H18ClFN2O4/c1-28-20(27)18-14(19(21)16(26)10-15(18)25)6-7-17-23-8-9-24(17)11-12-2-4-13(22)5-3-12/h2-5,8-10,25-26H,6-7,11H2,1H3
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n/an/an/a 3.20E+3n/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Apparent binding affinity to Grp94 (unknown origin) after 24 hrs by fluorescence polarization assay using FITC-GDA as tracer

J Med Chem 59: 3471-88 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00085
BindingDB Entry DOI: 10.7270/Q2H133X3
More data for this
Ligand-Target Pair
Endoplasmin


(Homo sapiens (Human))		BDBM50169876
PNG
(CHEMBL3805552)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccc(OC)cc1
Show InChI InChI=1S/C63H104N22O12/c1-5-37(4)51(59(96)82-45(20-13-29-75-63(71)72)60(97)85-30-14-21-48(85)58(95)79-42(52(66)89)17-9-10-26-64)84-55(92)44(19-12-28-74-62(69)70)80-54(91)43(18-11-27-73-61(67)68)81-56(93)46(31-36(2)3)83-57(94)47(33-38-15-7-6-8-16-38)78-50(88)35-76-49(87)34-77-53(90)41(65)32-39-22-24-40(86)25-23-39/h6-8,15-16,22-25,36-37,41-48,51,86H,5,9-14,17-21,26-35,64-65H2,1-4H3,(H2,66,89)(H,76,87)(H,77,90)(H,78,88)(H,79,95)(H,80,91)(H,81,93)(H,82,96)(H,83,94)(H,84,92)(H4,67,68,73)(H4,69,70,74)(H4,71,72,75)/t37-,41+,42+,43+,44+,45+,46+,47+,48+,51+/m1/s1
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n/an/an/a 6.90E+3n/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Apparent binding affinity to Grp94 (unknown origin) after 24 hrs by fluorescence polarization assay using FITC-GDA as tracer

J Med Chem 59: 3471-88 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00085
BindingDB Entry DOI: 10.7270/Q2H133X3
More data for this
Ligand-Target Pair
Endoplasmin


(Homo sapiens (Human))		BDBM50169878
PNG
(CHEMBL3806252)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccccc1F
Show InChI InChI=1S/C20H18ClFN2O4/c1-28-20(27)18-13(19(21)16(26)10-15(18)25)6-7-17-23-8-9-24(17)11-12-4-2-3-5-14(12)22/h2-5,8-10,25-26H,6-7,11H2,1H3
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n/an/an/a 1.36E+3n/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Apparent binding affinity to Grp94 (unknown origin) after 24 hrs by fluorescence polarization assay using FITC-GDA as tracer

J Med Chem 59: 3471-88 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00085
BindingDB Entry DOI: 10.7270/Q2H133X3
More data for this
Ligand-Target Pair
Endoplasmin


(Homo sapiens (Human))		BDBM50169704
PNG
(CHEMBL3805027)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccco1
Show InChI InChI=1S/C18H17ClN2O5/c1-25-18(24)16-12(17(19)14(23)9-13(16)22)4-5-15-20-6-7-21(15)10-11-3-2-8-26-11/h2-3,6-9,22-23H,4-5,10H2,1H3
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n/an/an/a 550n/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Apparent binding affinity to Grp94 (unknown origin) after 24 hrs by fluorescence polarization assay using FITC-GDA as tracer

J Med Chem 59: 3471-88 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00085
BindingDB Entry DOI: 10.7270/Q2H133X3
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))		BDBM50169864
PNG
(CHEMBL3805432)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C21H18ClN3O4/c1-29-21(28)19-15(20(22)17(27)10-16(19)26)6-7-18-24-8-9-25(18)12-14-4-2-13(11-23)3-5-14/h2-5,8-10,26-27H,6-7,12H2,1H3
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n/an/an/a 1.82E+4n/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Apparent binding affinity to Hsp90alpha (unknown origin) after 24 hrs by fluorescence polarization assay using FITC-GDA as tracer

J Med Chem 59: 3471-88 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00085
BindingDB Entry DOI: 10.7270/Q2H133X3
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))		BDBM50169880
PNG
(CHEMBL3804985)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccccc1Br
Show InChI InChI=1S/C20H18BrClN2O4/c1-28-20(27)18-13(19(22)16(26)10-15(18)25)6-7-17-23-8-9-24(17)11-12-4-2-3-5-14(12)21/h2-5,8-10,25-26H,6-7,11H2,1H3
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n/an/an/a 2.11E+4n/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Apparent binding affinity to Hsp90alpha (unknown origin) after 24 hrs by fluorescence polarization assay using FITC-GDA as tracer

J Med Chem 59: 3471-88 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00085
BindingDB Entry DOI: 10.7270/Q2H133X3
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))		BDBM50169712
PNG
(CHEMBL3805824)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1cc(Cl)cs1
Show InChI InChI=1S/C18H16Cl2N2O4S/c1-26-18(25)16-12(17(20)14(24)7-13(16)23)2-3-15-21-4-5-22(15)8-11-6-10(19)9-27-11/h4-7,9,23-24H,2-3,8H2,1H3
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n/an/an/a 1.80E+3n/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Apparent binding affinity to Hsp90alpha (unknown origin) after 24 hrs by fluorescence polarization assay using FITC-GDA as tracer

J Med Chem 59: 3471-88 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00085
BindingDB Entry DOI: 10.7270/Q2H133X3
More data for this
Ligand-Target Pair
Endoplasmin


(Homo sapiens (Human))		BDBM50169944
PNG
(CHEMBL3805792)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccc(C)cc1OC
Show InChI InChI=1S/C22H23ClN2O5/c1-13-4-5-14(18(10-13)29-2)12-25-9-8-24-19(25)7-6-15-20(22(28)30-3)16(26)11-17(27)21(15)23/h4-5,8-11,26-27H,6-7,12H2,1-3H3
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n/an/an/a 2.35E+3n/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Apparent binding affinity to Grp94 (unknown origin) after 24 hrs by fluorescence polarization assay using FITC-GDA as tracer

J Med Chem 59: 3471-88 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00085
BindingDB Entry DOI: 10.7270/Q2H133X3
More data for this
Ligand-Target Pair
Endoplasmin


(Homo sapiens (Human))		BDBM50169705
PNG
(CHEMBL3805428)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccc(C)o1
Show InChI InChI=1S/C19H19ClN2O5/c1-11-3-4-12(27-11)10-22-8-7-21-16(22)6-5-13-17(19(25)26-2)14(23)9-15(24)18(13)20/h3-4,7-9,23-24H,5-6,10H2,1-2H3
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n/an/an/a 650n/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Apparent binding affinity to Grp94 (unknown origin) after 24 hrs by fluorescence polarization assay using FITC-GDA as tracer

J Med Chem 59: 3471-88 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00085
BindingDB Entry DOI: 10.7270/Q2H133X3
More data for this
Ligand-Target Pair
Endoplasmin


(Homo sapiens (Human))		BDBM50169708
PNG
(CHEMBL3805768)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1cccs1
Show InChI InChI=1S/C18H17ClN2O4S/c1-25-18(24)16-12(17(19)14(23)9-13(16)22)4-5-15-20-6-7-21(15)10-11-3-2-8-26-11/h2-3,6-9,22-23H,4-5,10H2,1H3
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n/an/an/a 470n/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Apparent binding affinity to Grp94 (unknown origin) after 24 hrs by fluorescence polarization assay using FITC-GDA as tracer

J Med Chem 59: 3471-88 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00085
BindingDB Entry DOI: 10.7270/Q2H133X3
More data for this
Ligand-Target Pair
Endoplasmin


(Homo sapiens (Human))		BDBM50169711
PNG
(CHEMBL3805965)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccc(Cl)s1
Show InChI InChI=1S/C18H16Cl2N2O4S/c1-26-18(25)16-11(17(20)13(24)8-12(16)23)3-5-15-21-6-7-22(15)9-10-2-4-14(19)27-10/h2,4,6-8,23-24H,3,5,9H2,1H3
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n/an/an/a 930n/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Apparent binding affinity to Grp94 (unknown origin) after 24 hrs by fluorescence polarization assay using FITC-GDA as tracer

J Med Chem 59: 3471-88 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00085
BindingDB Entry DOI: 10.7270/Q2H133X3
More data for this
Ligand-Target Pair
Endoplasmin


(Homo sapiens (Human))		BDBM50169712
PNG
(CHEMBL3805824)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1cc(Cl)cs1
Show InChI InChI=1S/C18H16Cl2N2O4S/c1-26-18(25)16-12(17(20)14(24)7-13(16)23)2-3-15-21-4-5-22(15)8-11-6-10(19)9-27-11/h4-7,9,23-24H,2-3,8H2,1H3
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n/an/an/a 670n/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Apparent binding affinity to Grp94 (unknown origin) after 24 hrs by fluorescence polarization assay using FITC-GDA as tracer

J Med Chem 59: 3471-88 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00085
BindingDB Entry DOI: 10.7270/Q2H133X3
More data for this
Ligand-Target Pair
Endoplasmin


(Homo sapiens (Human))		BDBM50169781
PNG
(CHEMBL3804958)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1cccnc1
Show InChI InChI=1S/C19H18ClN3O4/c1-27-19(26)17-13(18(20)15(25)9-14(17)24)4-5-16-22-7-8-23(16)11-12-3-2-6-21-10-12/h2-3,6-10,24-25H,4-5,11H2,1H3
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n/an/an/a 4.04E+3n/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Apparent binding affinity to Grp94 (unknown origin) after 24 hrs by fluorescence polarization assay using FITC-GDA as tracer

J Med Chem 59: 3471-88 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00085
BindingDB Entry DOI: 10.7270/Q2H133X3
More data for this
Ligand-Target Pair
Endoplasmin


(Homo sapiens (Human))		BDBM50169782
PNG
(CHEMBL3805858)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1cncnc1
Show InChI InChI=1S/C18H17ClN4O4/c1-27-18(26)16-12(17(19)14(25)6-13(16)24)2-3-15-22-4-5-23(15)9-11-7-20-10-21-8-11/h4-8,10,24-25H,2-3,9H2,1H3
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n/an/an/a 9.18E+3n/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Apparent binding affinity to Grp94 (unknown origin) after 24 hrs by fluorescence polarization assay using FITC-GDA as tracer

J Med Chem 59: 3471-88 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00085
BindingDB Entry DOI: 10.7270/Q2H133X3
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))		BDBM50087812
PNG
(CHEMBL3426787)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccccc1
Show InChI InChI=1S/C20H19ClN2O4/c1-27-20(26)18-14(19(21)16(25)11-15(18)24)7-8-17-22-9-10-23(17)12-13-5-3-2-4-6-13/h2-6,9-11,24-25H,7-8,12H2,1H3
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n/an/an/a 1.31E+4n/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Apparent binding affinity to Hsp90alpha (unknown origin) after 24 hrs by fluorescence polarization assay using FITC-GDA as tracer

J Med Chem 59: 3471-88 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00085
BindingDB Entry DOI: 10.7270/Q2H133X3
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))		BDBM50169817
PNG
(CHEMBL3805621)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccc(Br)cc1
Show InChI InChI=1S/C20H18BrClN2O4/c1-28-20(27)18-14(19(22)16(26)10-15(18)25)6-7-17-23-8-9-24(17)11-12-2-4-13(21)5-3-12/h2-5,8-10,25-26H,6-7,11H2,1H3
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n/an/an/a 1.25E+4n/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Apparent binding affinity to Hsp90alpha (unknown origin) after 24 hrs by fluorescence polarization assay using FITC-GDA as tracer

J Med Chem 59: 3471-88 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00085
BindingDB Entry DOI: 10.7270/Q2H133X3
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))		BDBM50169879
PNG
(CHEMBL3805874)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccccc1Cl
Show InChI InChI=1S/C20H18Cl2N2O4/c1-28-20(27)18-13(19(22)16(26)10-15(18)25)6-7-17-23-8-9-24(17)11-12-4-2-3-5-14(12)21/h2-5,8-10,25-26H,6-7,11H2,1H3
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n/an/an/a 8.47E+3n/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Apparent binding affinity to Hsp90alpha (unknown origin) after 24 hrs by fluorescence polarization assay using FITC-GDA as tracer

J Med Chem 59: 3471-88 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00085
BindingDB Entry DOI: 10.7270/Q2H133X3
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))		BDBM50169934
PNG
(CHEMBL3805146)
Show SMILES CCc1ccccc1Cn1ccnc1CCc1c(Cl)c(O)cc(O)c1C(=O)OC
Show InChI InChI=1S/C22H23ClN2O4/c1-3-14-6-4-5-7-15(14)13-25-11-10-24-19(25)9-8-16-20(22(28)29-2)17(26)12-18(27)21(16)23/h4-7,10-12,26-27H,3,8-9,13H2,1-2H3
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n/an/an/a 3.88E+4n/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Apparent binding affinity to Hsp90alpha (unknown origin) after 24 hrs by fluorescence polarization assay using FITC-GDA as tracer

J Med Chem 59: 3471-88 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00085
BindingDB Entry DOI: 10.7270/Q2H133X3
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))		BDBM50169704
PNG
(CHEMBL3805027)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccco1
Show InChI InChI=1S/C18H17ClN2O5/c1-25-18(24)16-12(17(19)14(23)9-13(16)22)4-5-15-20-6-7-21(15)10-11-3-2-8-26-11/h2-3,6-9,22-23H,4-5,10H2,1H3
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n/an/an/a 5.91E+3n/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Apparent binding affinity to Hsp90alpha (unknown origin) after 24 hrs by fluorescence polarization assay using FITC-GDA as tracer

J Med Chem 59: 3471-88 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00085
BindingDB Entry DOI: 10.7270/Q2H133X3
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))		BDBM50169710
PNG
(CHEMBL3804875)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccc(C)s1
Show InChI InChI=1S/C19H19ClN2O4S/c1-11-3-4-12(27-11)10-22-8-7-21-16(22)6-5-13-17(19(25)26-2)14(23)9-15(24)18(13)20/h3-4,7-9,23-24H,5-6,10H2,1-2H3
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n/an/an/a 5.13E+3n/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Apparent binding affinity to Hsp90alpha (unknown origin) after 24 hrs by fluorescence polarization assay using FITC-GDA as tracer

J Med Chem 59: 3471-88 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00085
BindingDB Entry DOI: 10.7270/Q2H133X3
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))		BDBM50169715
PNG
(CHEMBL3805853)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1nccs1
Show InChI InChI=1S/C17H16ClN3O4S/c1-25-17(24)15-10(16(18)12(23)8-11(15)22)2-3-13-19-4-6-21(13)9-14-20-5-7-26-14/h4-8,22-23H,2-3,9H2,1H3
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n/an/an/a 1.60E+4n/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Apparent binding affinity to Hsp90alpha (unknown origin) after 24 hrs by fluorescence polarization assay using FITC-GDA as tracer

J Med Chem 59: 3471-88 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00085
BindingDB Entry DOI: 10.7270/Q2H133X3
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))		BDBM50169741
PNG
(CHEMBL3805612)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1occc1C=C
Show InChI InChI=1S/C20H19ClN2O5/c1-3-12-6-9-28-16(12)11-23-8-7-22-17(23)5-4-13-18(20(26)27-2)14(24)10-15(25)19(13)21/h3,6-10,24-25H,1,4-5,11H2,2H3
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n/an/an/a 7.50E+3n/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Apparent binding affinity to Hsp90alpha (unknown origin) after 24 hrs by fluorescence polarization assay using FITC-GDA as tracer

J Med Chem 59: 3471-88 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00085
BindingDB Entry DOI: 10.7270/Q2H133X3
More data for this
Ligand-Target Pair
Endoplasmin


(Homo sapiens (Human))		BDBM50169864
PNG
(CHEMBL3805432)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C21H18ClN3O4/c1-29-21(28)19-15(20(22)17(27)10-16(19)26)6-7-18-24-8-9-25(18)12-14-4-2-13(11-23)3-5-14/h2-5,8-10,26-27H,6-7,12H2,1H3
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n/an/an/a 4.70E+3n/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Apparent binding affinity to Grp94 (unknown origin) after 24 hrs by fluorescence polarization assay using FITC-GDA as tracer

J Med Chem 59: 3471-88 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00085
BindingDB Entry DOI: 10.7270/Q2H133X3
More data for this
Ligand-Target Pair
Endoplasmin


(Homo sapiens (Human))		BDBM50169941
PNG
(CHEMBL3806120)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccccc1C(F)(F)F
Show InChI InChI=1S/C21H18ClF3N2O4/c1-31-20(30)18-13(19(22)16(29)10-15(18)28)6-7-17-26-8-9-27(17)11-12-4-2-3-5-14(12)21(23,24)25/h2-5,8-10,28-29H,6-7,11H2,1H3
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n/an/an/a 1.53E+3n/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Apparent binding affinity to Grp94 (unknown origin) after 24 hrs by fluorescence polarization assay using FITC-GDA as tracer

J Med Chem 59: 3471-88 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00085
BindingDB Entry DOI: 10.7270/Q2H133X3
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))		BDBM50169784
PNG
(CHEMBL3804944)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C20H18Cl2N2O4/c1-28-20(27)18-14(19(22)16(26)10-15(18)25)6-7-17-23-8-9-24(17)11-12-2-4-13(21)5-3-12/h2-5,8-10,25-26H,6-7,11H2,1H3
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n/an/an/a 1.21E+4n/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Apparent binding affinity to Hsp90alpha (unknown origin) after 24 hrs by fluorescence polarization assay using FITC-GDA as tracer

J Med Chem 59: 3471-88 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00085
BindingDB Entry DOI: 10.7270/Q2H133X3
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))		BDBM50169875
PNG
(CHEMBL3806136)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccc(cc1)C#C
Show InChI InChI=1S/C22H19ClN2O4/c1-3-14-4-6-15(7-5-14)13-25-11-10-24-19(25)9-8-16-20(22(28)29-2)17(26)12-18(27)21(16)23/h1,4-7,10-12,26-27H,8-9,13H2,2H3
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n/an/an/a 1.58E+4n/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Apparent binding affinity to Hsp90alpha (unknown origin) after 24 hrs by fluorescence polarization assay using FITC-GDA as tracer

J Med Chem 59: 3471-88 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00085
BindingDB Entry DOI: 10.7270/Q2H133X3
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))		BDBM50169876
PNG
(CHEMBL3805552)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccc(OC)cc1
Show InChI InChI=1S/C63H104N22O12/c1-5-37(4)51(59(96)82-45(20-13-29-75-63(71)72)60(97)85-30-14-21-48(85)58(95)79-42(52(66)89)17-9-10-26-64)84-55(92)44(19-12-28-74-62(69)70)80-54(91)43(18-11-27-73-61(67)68)81-56(93)46(31-36(2)3)83-57(94)47(33-38-15-7-6-8-16-38)78-50(88)35-76-49(87)34-77-53(90)41(65)32-39-22-24-40(86)25-23-39/h6-8,15-16,22-25,36-37,41-48,51,86H,5,9-14,17-21,26-35,64-65H2,1-4H3,(H2,66,89)(H,76,87)(H,77,90)(H,78,88)(H,79,95)(H,80,91)(H,81,93)(H,82,96)(H,83,94)(H,84,92)(H4,67,68,73)(H4,69,70,74)(H4,71,72,75)/t37-,41+,42+,43+,44+,45+,46+,47+,48+,51+/m1/s1
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n/an/an/a>1.50E+5n/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Apparent binding affinity to Hsp90alpha (unknown origin) after 24 hrs by fluorescence polarization assay using FITC-GDA as tracer

J Med Chem 59: 3471-88 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00085
BindingDB Entry DOI: 10.7270/Q2H133X3
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))		BDBM50169926
PNG
(CHEMBL3805121)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccccc1OC
Show InChI InChI=1S/C21H21ClN2O5/c1-28-17-6-4-3-5-13(17)12-24-10-9-23-18(24)8-7-14-19(21(27)29-2)15(25)11-16(26)20(14)22/h3-6,9-11,25-26H,7-8,12H2,1-2H3
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n/an/an/a 5.39E+4n/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Apparent binding affinity to Hsp90alpha (unknown origin) after 24 hrs by fluorescence polarization assay using FITC-GDA as tracer

J Med Chem 59: 3471-88 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00085
BindingDB Entry DOI: 10.7270/Q2H133X3
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%