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Compile Data Set for Download or QSAR

Found 54 hits Enz. Inhib. hit(s) with Target = 'Heat shock protein HSP 90-alpha' AND taxid = 10090   
Target
(Institution)
LigandTarget
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


(Mus musculus)
BDBM50165302
PNG
(8-(4-Methoxy-phenylsulfanyl)-9-pent-4-ynyl-9H-puri...)
Show SMILES COc1ccc(Sc2nc3c(N)ncnc3n2CCCC#C)cc1
Show InChI InChI=1S/C17H17N5OS/c1-3-4-5-10-22-16-14(15(18)19-11-20-16)21-17(22)24-13-8-6-12(23-2)7-9-13/h1,6-9,11H,4-5,10H2,2H3,(H2,18,19,20)
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n/an/an/an/a 1.91E+4n/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL


Assay Description
Displacement of 5 nM GM-BODIPY from mouse heat shock protein HSP90-alpha


Citation and Details
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Mus musculus)
BDBM50165312
PNG
(9-(2-Isopropoxy-ethyl)-8-(3-methoxy-phenylsulfanyl...)
Show SMILES COc1cccc(Sc2nc3c(N)ncnc3n2CCOC(C)C)c1
Show InChI InChI=1S/C17H21N5O2S/c1-11(2)24-8-7-22-16-14(15(18)19-10-20-16)21-17(22)25-13-6-4-5-12(9-13)23-3/h4-6,9-11H,7-8H2,1-3H3,(H2,18,19,20)
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n/an/an/an/a 2.80E+3n/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL


Assay Description
Displacement of 5 nM GM-BODIPY from mouse heat shock protein HSP90-alpha


Citation and Details
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Mus musculus)
BDBM50165309
PNG
(8-(2,4-Dimethoxy-phenylsulfanyl)-9-pent-4-ynyl-9H-...)
Show SMILES COc1ccc(Sc2nc3c(N)ncnc3n2CCCC#C)c(OC)c1
Show InChI InChI=1S/C18H19N5O2S/c1-4-5-6-9-23-17-15(16(19)20-11-21-17)22-18(23)26-14-8-7-12(24-2)10-13(14)25-3/h1,7-8,10-11H,5-6,9H2,2-3H3,(H2,19,20,21)
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n/an/an/an/a 2.00E+3n/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL


Assay Description
Displacement of 5 nM GM-BODIPY from mouse heat shock protein HSP90-alpha


Citation and Details
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Mus musculus)
BDBM50165264
PNG
(8-(2-Chloro-3,4,5-trimethoxy-phenylsulfanyl)-2-flu...)
Show SMILES COc1cc(Sc2nc3c(N)nc(F)nc3n2CCOC(C)C)c(Cl)c(OC)c1OC
Show InChI InChI=1S/C19H23ClFN5O4S/c1-9(2)30-7-6-26-17-13(16(22)24-18(21)25-17)23-19(26)31-11-8-10(27-3)14(28-4)15(29-5)12(11)20/h8-9H,6-7H2,1-5H3,(H2,22,24,25)
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n/an/an/an/a 160n/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL


Assay Description
Displacement of 5 nM GM-BODIPY from mouse heat shock protein HSP90-alpha


Citation and Details
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Mus musculus)
BDBM50165265
PNG
(8-(2-Chloro-5-trifluoromethyl-phenylsulfanyl)-9-pe...)
Show SMILES Nc1ncnc2n(CCCC#C)c(Sc3cc(ccc3Cl)C(F)(F)F)nc12
Show InChI InChI=1S/C17H13ClF3N5S/c1-2-3-4-7-26-15-13(14(22)23-9-24-15)25-16(26)27-12-8-10(17(19,20)21)5-6-11(12)18/h1,5-6,8-9H,3-4,7H2,(H2,22,23,24)
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n/an/an/an/a 3.70E+3n/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL


Assay Description
Displacement of 5 nM GM-BODIPY from mouse heat shock protein HSP90-alpha


Citation and Details
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Mus musculus)
BDBM50165271
PNG
(9-Butyl-8-(3-methoxy-phenylsulfanyl)-9H-purin-6-yl...)
Show SMILES CCCCn1c(Sc2cccc(OC)c2)nc2c(N)ncnc12
Show InChI InChI=1S/C16H19N5OS/c1-3-4-8-21-15-13(14(17)18-10-19-15)20-16(21)23-12-7-5-6-11(9-12)22-2/h5-7,9-10H,3-4,8H2,1-2H3,(H2,17,18,19)
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n/an/an/an/a 4.60E+3n/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL


Assay Description
Displacement of 5 nM GM-BODIPY from mouse heat shock protein HSP90-alpha


Citation and Details
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Mus musculus)
BDBM50165267
PNG
(8-(2,6-Dichloro-3,4,5-trimethoxy-phenylsulfanyl)-9...)
Show SMILES COc1c(Cl)c(Sc2nc3c(N)ncnc3n2CCOC(C)C)c(Cl)c(OC)c1OC
Show InChI InChI=1S/C19H23Cl2N5O4S/c1-9(2)30-7-6-26-18-12(17(22)23-8-24-18)25-19(26)31-16-10(20)13(27-3)15(29-5)14(28-4)11(16)21/h8-9H,6-7H2,1-5H3,(H2,22,23,24)
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n/an/an/an/a 2.10E+3n/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL


Assay Description
Displacement of 5 nM GM-BODIPY from mouse heat shock protein HSP90-alpha


Citation and Details
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Mus musculus)
BDBM50165268
PNG
(8-(3,5-Dichloro-phenylsulfanyl)-9-pent-4-ynyl-9H-p...)
Show SMILES Nc1ncnc2n(CCCC#C)c(Sc3cc(Cl)cc(Cl)c3)nc12
Show InChI InChI=1S/C16H13Cl2N5S/c1-2-3-4-5-23-15-13(14(19)20-9-21-15)22-16(23)24-12-7-10(17)6-11(18)8-12/h1,6-9H,3-5H2,(H2,19,20,21)
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n/an/an/an/a 3.04E+4n/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL


Assay Description
Displacement of 5 nM GM-BODIPY from mouse heat shock protein HSP90-alpha


Citation and Details
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Mus musculus)
BDBM20745
PNG
(8-Sulfanyladenine | 8-[(2-iodo-5-methoxyphenyl)sul...)
Show SMILES COc1ccc(I)c(Sc2nc3c(N)ncnc3n2CCCC#C)c1
Show InChI InChI=1S/C17H16IN5OS/c1-3-4-5-8-23-16-14(15(19)20-10-21-16)22-17(23)25-13-9-11(24-2)6-7-12(13)18/h1,6-7,9-10H,4-5,8H2,2H3,(H2,19,20,21)
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n/an/an/an/a 50n/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL


Assay Description
Displacement of 5 nM GM-BODIPY from mouse heat shock protein HSP90-alpha


Citation and Details
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Mus musculus)
BDBM50165293
PNG
(8-(2-Chloro-3,4,5-trimethoxy-phenylsulfanyl)-9-pen...)
Show SMILES COc1cc(Sc2nc3c(N)ncnc3n2CCCC#C)c(Cl)c(OC)c1OC
Show InChI InChI=1S/C19H20ClN5O3S/c1-5-6-7-8-25-18-14(17(21)22-10-23-18)24-19(25)29-12-9-11(26-2)15(27-3)16(28-4)13(12)20/h1,9-10H,6-8H2,2-4H3,(H2,21,22,23)
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n/an/an/an/a 180n/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL


Assay Description
Displacement of 5 nM GM-BODIPY from mouse heat shock protein HSP90-alpha


Citation and Details
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Mus musculus)
BDBM50165290
PNG
(9-Pent-4-ynyl-8-(3,4,5-trimethoxy-phenylsulfanyl)-...)
Show SMILES COc1cc(Sc2nc3c(N)nc(N)nc3n2CCCC#C)cc(OC)c1OC
Show InChI InChI=1S/C19H22N6O3S/c1-5-6-7-8-25-17-14(16(20)23-18(21)24-17)22-19(25)29-11-9-12(26-2)15(28-4)13(10-11)27-3/h1,9-10H,6-8H2,2-4H3,(H4,20,21,23,24)
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n/an/an/an/a>1.00E+5n/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL


Assay Description
Displacement of 5 nM GM-BODIPY from mouse heat shock protein HSP90-alpha


Citation and Details
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Mus musculus)
BDBM50165295
PNG
(8-(2-Chloro-phenylsulfanyl)-9-pent-4-ynyl-9H-purin...)
Show SMILES Nc1ncnc2n(CCCC#C)c(Sc3ccccc3Cl)nc12
Show InChI InChI=1S/C16H14ClN5S/c1-2-3-6-9-22-15-13(14(18)19-10-20-15)21-16(22)23-12-8-5-4-7-11(12)17/h1,4-5,7-8,10H,3,6,9H2,(H2,18,19,20)
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n/an/an/an/a 4.22E+4n/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL


Assay Description
Displacement of 5 nM GM-BODIPY from mouse heat shock protein HSP90-alpha


Citation and Details
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Mus musculus)
BDBM50165301
PNG
(9-(2-Isopropoxy-ethyl)-8-(3,4,5-trimethoxy-phenyls...)
Show SMILES COc1cc(Sc2nc3c(N)ncnc3n2CCOC(C)C)cc(OC)c1OC
Show InChI InChI=1S/C19H25N5O4S/c1-11(2)28-7-6-24-18-15(17(20)21-10-22-18)23-19(24)29-12-8-13(25-3)16(27-5)14(9-12)26-4/h8-11H,6-7H2,1-5H3,(H2,20,21,22)
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n/an/an/an/a 3.40E+3n/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL


Assay Description
Displacement of 5 nM GM-BODIPY from mouse heat shock protein HSP90-alpha


Citation and Details
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Mus musculus)
BDBM50165272
PNG
(8-(6-Bromo-benzo[1,3]dioxol-5-ylsulfanyl)-9-pent-4...)
Show SMILES Nc1ncnc2n(CCCC#C)c(Sc3cc4OCOc4cc3Br)nc12
Show InChI InChI=1S/C17H14BrN5O2S/c1-2-3-4-5-23-16-14(15(19)20-8-21-16)22-17(23)26-13-7-12-11(6-10(13)18)24-9-25-12/h1,6-8H,3-5,9H2,(H2,19,20,21)
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n/an/an/an/a 30n/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL


Assay Description
Displacement of 5 nM GM-BODIPY from mouse heat shock protein HSP90-alpha


Citation and Details
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Mus musculus)
BDBM50165303
PNG
(9-Butyl-8-(2-chloro-3,4,5-trimethoxy-phenylsulfany...)
Show SMILES CCCCn1c(Sc2cc(OC)c(OC)c(OC)c2Cl)nc2c(N)ncnc12
Show InChI InChI=1S/C18H22ClN5O3S/c1-5-6-7-24-17-13(16(20)21-9-22-17)23-18(24)28-11-8-10(25-2)14(26-3)15(27-4)12(11)19/h8-9H,5-7H2,1-4H3,(H2,20,21,22)
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n/an/an/an/a 850n/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL


Assay Description
Displacement of 5 nM GM-BODIPY from mouse heat shock protein HSP90-alpha


Citation and Details
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Mus musculus)
BDBM50165279
PNG
(8-(2,5-Dimethoxy-phenylsulfanyl)-9-pent-4-ynyl-9H-...)
Show SMILES COc1ccc(OC)c(Sc2nc3c(N)ncnc3n2CCCC#C)c1
Show InChI InChI=1S/C18H19N5O2S/c1-4-5-6-9-23-17-15(16(19)20-11-21-17)22-18(23)26-14-10-12(24-2)7-8-13(14)25-3/h1,7-8,10-11H,5-6,9H2,2-3H3,(H2,19,20,21)
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n/an/an/an/a 190n/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL


Assay Description
Displacement of 5 nM GM-BODIPY from mouse heat shock protein HSP90-alpha


Citation and Details
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Mus musculus)
BDBM50165274
PNG
(8-(2-Bromo-5-methoxy-phenylsulfanyl)-9-pent-4-ynyl...)
Show SMILES COc1ccc(Br)c(Sc2nc3c(N)ncnc3n2CCCC#C)c1
Show InChI InChI=1S/C17H16BrN5OS/c1-3-4-5-8-23-16-14(15(19)20-10-21-16)22-17(23)25-13-9-11(24-2)6-7-12(13)18/h1,6-7,9-10H,4-5,8H2,2H3,(H2,19,20,21)
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n/an/an/an/a 70n/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL


Assay Description
Displacement of 5 nM GM-BODIPY from mouse heat shock protein HSP90-alpha


Citation and Details
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Mus musculus)
BDBM50165275
PNG
(8-(3-Methoxy-benzenesulfonyl)-9-pent-4-ynyl-9H-pur...)
Show SMILES COc1cccc(c1)S(=O)(=O)c1nc2c(N)ncnc2n1CCCC#C
Show InChI InChI=1S/C17H17N5O3S/c1-3-4-5-9-22-16-14(15(18)19-11-20-16)21-17(22)26(23,24)13-8-6-7-12(10-13)25-2/h1,6-8,10-11H,4-5,9H2,2H3,(H2,18,19,20)
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n/an/an/an/a>5.00E+4n/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL


Assay Description
Displacement of 5 nM GM-BODIPY from mouse heat shock protein HSP90-alpha


Citation and Details
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Mus musculus)
BDBM50165269
PNG
(9-Butyl-8-(3,4,5-trimethoxy-benzenesulfinyl)-9H-pu...)
Show SMILES CCCCn1c(nc2c(N)ncnc12)S(=O)c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C18H23N5O4S/c1-5-6-7-23-17-14(16(19)20-10-21-17)22-18(23)28(24)11-8-12(25-2)15(27-4)13(9-11)26-3/h8-10H,5-7H2,1-4H3,(H2,19,20,21)
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n/an/an/an/a 7.65E+4n/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL


Assay Description
Displacement of 5 nM GM-BODIPY from mouse heat shock protein HSP90-alpha


Citation and Details
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Mus musculus)
BDBM50165285
PNG
(8-(2-Chloro-5-trifluoromethyl-phenylsulfanyl)-9H-p...)
Show SMILES Nc1ncnc2nc(Sc3cc(ccc3Cl)C(F)(F)F)[nH]c12
Show InChI InChI=1S/C12H7ClF3N5S/c13-6-2-1-5(12(14,15)16)3-7(6)22-11-20-8-9(17)18-4-19-10(8)21-11/h1-4H,(H3,17,18,19,20,21)
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n/an/an/an/a 9.07E+4n/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL


Assay Description
Displacement of 5 nM GM-BODIPY from mouse heat shock protein HSP90-alpha


Citation and Details
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Mus musculus)
BDBM50165287
PNG
(8-(2,4,5-Trichloro-phenylsulfanyl)-9H-purin-6-ylam...)
Show SMILES Nc1ncnc2nc(Sc3cc(Cl)c(Cl)cc3Cl)[nH]c12
Show InChI InChI=1S/C11H6Cl3N5S/c12-4-1-6(14)7(2-5(4)13)20-11-18-8-9(15)16-3-17-10(8)19-11/h1-3H,(H3,15,16,17,18,19)
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n/an/an/an/a 1.54E+4n/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL


Assay Description
Displacement of 5 nM GM-BODIPY from mouse heat shock protein HSP90-alpha


Citation and Details
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Mus musculus)
BDBM50165284
PNG
(9-(2-Isopropoxy-ethyl)-8-(3-methoxy-benzenesulfiny...)
Show SMILES COc1cccc(c1)S(=O)c1nc2c(N)ncnc2n1CCOC(C)C
Show InChI InChI=1S/C17H21N5O3S/c1-11(2)25-8-7-22-16-14(15(18)19-10-20-16)21-17(22)26(23)13-6-4-5-12(9-13)24-3/h4-6,9-11H,7-8H2,1-3H3,(H2,18,19,20)
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n/an/an/an/a 3.50E+3n/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL


Assay Description
Displacement of 5 nM GM-BODIPY from mouse heat shock protein HSP90-alpha


Citation and Details
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Mus musculus)
BDBM50165289
PNG
(9-Butyl-8-(3-methoxy-benzenesulfinyl)-9H-purin-6-y...)
Show SMILES CCCCn1c(nc2c(N)ncnc12)S(=O)c1cccc(OC)c1
Show InChI InChI=1S/C16H19N5O2S/c1-3-4-8-21-15-13(14(17)18-10-19-15)20-16(21)24(22)12-7-5-6-11(9-12)23-2/h5-7,9-10H,3-4,8H2,1-2H3,(H2,17,18,19)
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n/an/an/an/a 4.70E+3n/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL


Assay Description
Displacement of 5 nM GM-BODIPY from mouse heat shock protein HSP90-alpha


Citation and Details
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Mus musculus)
BDBM50165286
PNG
(8-(2,4-Dimethyl-phenylsulfanyl)-9-pent-4-ynyl-9H-p...)
Show SMILES Cc1ccc(Sc2nc3c(N)ncnc3n2CCCC#C)c(C)c1
Show InChI InChI=1S/C18H19N5S/c1-4-5-6-9-23-17-15(16(19)20-11-21-17)22-18(23)24-14-8-7-12(2)10-13(14)3/h1,7-8,10-11H,5-6,9H2,2-3H3,(H2,19,20,21)
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n/an/an/an/a 8.60E+3n/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL


Assay Description
Displacement of 5 nM GM-BODIPY from mouse heat shock protein HSP90-alpha


Citation and Details
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Mus musculus)
BDBM50165317
PNG
(9-(2-Isopropoxy-ethyl)-8-(3,4,5-trimethoxy-benzene...)
Show SMILES COc1cc(cc(OC)c1OC)S(=O)(=O)c1nc2c(N)ncnc2n1CCOC(C)C
Show InChI InChI=1S/C19H25N5O6S/c1-11(2)30-7-6-24-18-15(17(20)21-10-22-18)23-19(24)31(25,26)12-8-13(27-3)16(29-5)14(9-12)28-4/h8-11H,6-7H2,1-5H3,(H2,20,21,22)
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n/an/an/an/a>5.00E+4n/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL


Assay Description
Displacement of 5 nM GM-BODIPY from mouse heat shock protein HSP90-alpha


Citation and Details
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Mus musculus)
BDBM50165318
PNG
(9-Butyl-8-(3,4,5-trimethoxy-phenylsulfanyl)-9H-pur...)
Show SMILES CCCCn1c(Sc2cc(OC)c(OC)c(OC)c2)nc2c(N)ncnc12
Show InChI InChI=1S/C18H23N5O3S/c1-5-6-7-23-17-14(16(19)20-10-21-17)22-18(23)27-11-8-12(24-2)15(26-4)13(9-11)25-3/h8-10H,5-7H2,1-4H3,(H2,19,20,21)
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n/an/an/an/a 3.10E+3n/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL


Assay Description
Displacement of 5 nM GM-BODIPY from mouse heat shock protein HSP90-alpha


Citation and Details
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Mus musculus)
BDBM50165278
PNG
(9-Pent-4-ynyl-8-(2-trifluoromethoxy-phenylsulfanyl...)
Show SMILES Nc1ncnc2n(CCCC#C)c(Sc3ccccc3OC(F)(F)F)nc12
Show InChI InChI=1S/C17H14F3N5OS/c1-2-3-6-9-25-15-13(14(21)22-10-23-15)24-16(25)27-12-8-5-4-7-11(12)26-17(18,19)20/h1,4-5,7-8,10H,3,6,9H2,(H2,21,22,23)
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n/an/an/an/a 5.60E+3n/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL


Assay Description
Displacement of 5 nM GM-BODIPY from mouse heat shock protein HSP90-alpha


Citation and Details
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Mus musculus)
BDBM50165292
PNG
(8-(2-Iodo-3,4,5-trimethoxy-phenylsulfanyl)-9-pent-...)
Show SMILES COc1cc(Sc2nc3c(N)ncnc3n2CCCC#C)c(I)c(OC)c1OC
Show InChI InChI=1S/C19H20IN5O3S/c1-5-6-7-8-25-18-14(17(21)22-10-23-18)24-19(25)29-12-9-11(26-2)15(27-3)16(28-4)13(12)20/h1,9-10H,6-8H2,2-4H3,(H2,21,22,23)
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n/an/an/an/a 3.10E+3n/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL


Assay Description
Displacement of 5 nM GM-BODIPY from mouse heat shock protein HSP90-alpha


Citation and Details
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Mus musculus)
BDBM50165304
PNG
(9-Butyl-8-(3,4,5-trimethoxy-benzenesulfonyl)-9H-pu...)
Show SMILES CCCCn1c(nc2c(N)ncnc12)S(=O)(=O)c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C18H23N5O5S/c1-5-6-7-23-17-14(16(19)20-10-21-17)22-18(23)29(24,25)11-8-12(26-2)15(28-4)13(9-11)27-3/h8-10H,5-7H2,1-4H3,(H2,19,20,21)
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n/an/an/an/a>5.00E+4n/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL


Assay Description
Displacement of 5 nM GM-BODIPY from mouse heat shock protein HSP90-alpha


Citation and Details
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Mus musculus)
BDBM50165311
PNG
(9-Butyl-8-(3-methoxy-benzenesulfonyl)-9H-purin-6-y...)
Show SMILES CCCCn1c(nc2c(N)ncnc12)S(=O)(=O)c1cccc(OC)c1
Show InChI InChI=1S/C16H19N5O3S/c1-3-4-8-21-15-13(14(17)18-10-19-15)20-16(21)25(22,23)12-7-5-6-11(9-12)24-2/h5-7,9-10H,3-4,8H2,1-2H3,(H2,17,18,19)
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n/an/an/an/a>5.00E+4n/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL


Assay Description
Displacement of 5 nM GM-BODIPY from mouse heat shock protein HSP90-alpha


Citation and Details
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Mus musculus)
BDBM50165310
PNG
(9-Butyl-8-(2-chloro-3,4,5-trimethoxy-phenylsulfany...)
Show SMILES CCCCn1c(Sc2cc(OC)c(OC)c(OC)c2Cl)nc2c(N)nc(F)nc12
Show InChI InChI=1S/C18H21ClFN5O3S/c1-5-6-7-25-16-12(15(21)23-17(20)24-16)22-18(25)29-10-8-9(26-2)13(27-3)14(28-4)11(10)19/h8H,5-7H2,1-4H3,(H2,21,23,24)
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n/an/an/an/a 2.40E+3n/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL


Assay Description
Displacement of 5 nM GM-BODIPY from mouse heat shock protein HSP90-alpha


Citation and Details
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Mus musculus)
BDBM50165282
PNG
(8-(2,5-Dichloro-phenylsulfanyl)-9-pent-4-ynyl-9H-p...)
Show SMILES Nc1ncnc2n(CCCC#C)c(Sc3cc(Cl)ccc3Cl)nc12
Show InChI InChI=1S/C16H13Cl2N5S/c1-2-3-4-7-23-15-13(14(19)20-9-21-15)22-16(23)24-12-8-10(17)5-6-11(12)18/h1,5-6,8-9H,3-4,7H2,(H2,19,20,21)
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n/an/an/an/a 2.10E+3n/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL


Assay Description
Displacement of 5 nM GM-BODIPY from mouse heat shock protein HSP90-alpha


Citation and Details
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Mus musculus)
BDBM50165307
PNG
(9-Pent-4-ynyl-8-(4-pyrrol-1-yl-phenylsulfanyl)-9H-...)
Show SMILES Nc1ncnc2n(CCCC#C)c(Sc3ccc(cc3)-n3cccc3)nc12
Show InChI InChI=1S/C20H18N6S/c1-2-3-4-13-26-19-17(18(21)22-14-23-19)24-20(26)27-16-9-7-15(8-10-16)25-11-5-6-12-25/h1,5-12,14H,3-4,13H2,(H2,21,22,23)
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n/an/an/an/a>1.00E+5n/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL


Assay Description
Displacement of 5 nM GM-BODIPY from mouse heat shock protein HSP90-alpha


Citation and Details
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Mus musculus)
BDBM50165314
PNG
(8-(2,5-Dichloro-phenylsulfanyl)-9H-purin-6-ylamine...)
Show SMILES Nc1ncnc2nc(Sc3cc(Cl)ccc3Cl)[nH]c12
Show InChI InChI=1S/C11H7Cl2N5S/c12-5-1-2-6(13)7(3-5)19-11-17-8-9(14)15-4-16-10(8)18-11/h1-4H,(H3,14,15,16,17,18)
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n/an/an/an/a 8.51E+4n/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL


Assay Description
Displacement of 5 nM GM-BODIPY from mouse heat shock protein HSP90-alpha


Citation and Details
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Mus musculus)
BDBM50165276
PNG
(8-(2-Chloro-5-methoxy-phenylsulfanyl)-9-pent-4-yny...)
Show SMILES COc1ccc(Cl)c(Sc2nc3c(N)ncnc3n2CCCC#C)c1
Show InChI InChI=1S/C17H16ClN5OS/c1-3-4-5-8-23-16-14(15(19)20-10-21-16)22-17(23)25-13-9-11(24-2)6-7-12(13)18/h1,6-7,9-10H,4-5,8H2,2H3,(H2,19,20,21)
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n/an/an/an/a 200n/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL


Assay Description
Displacement of 5 nM GM-BODIPY from mouse heat shock protein HSP90-alpha


Citation and Details
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Mus musculus)
BDBM50165315
PNG
(9-Pent-4-ynyl-8-(2,4,5-trichloro-phenylsulfanyl)-9...)
Show SMILES Nc1ncnc2n(CCCC#C)c(Sc3cc(Cl)c(Cl)cc3Cl)nc12
Show InChI InChI=1S/C16H12Cl3N5S/c1-2-3-4-5-24-15-13(14(20)21-8-22-15)23-16(24)25-12-7-10(18)9(17)6-11(12)19/h1,6-8H,3-5H2,(H2,20,21,22)
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n/an/an/an/a 8.50E+3n/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL


Assay Description
Displacement of 5 nM GM-BODIPY from mouse heat shock protein HSP90-alpha


Citation and Details
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Mus musculus)
BDBM50165305
PNG
(9-(2-Isopropoxy-ethyl)-8-(3,4,5-trimethoxy-benzene...)
Show SMILES COc1cc(cc(OC)c1OC)S(=O)c1nc2c(N)ncnc2n1CCOC(C)C
Show InChI InChI=1S/C19H25N5O5S/c1-11(2)29-7-6-24-18-15(17(20)21-10-22-18)23-19(24)30(25)12-8-13(26-3)16(28-5)14(9-12)27-4/h8-11H,6-7H2,1-5H3,(H2,20,21,22)
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n/an/an/an/a 2.30E+3n/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL


Assay Description
Displacement of 5 nM GM-BODIPY from mouse heat shock protein HSP90-alpha


Citation and Details
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Mus musculus)
BDBM50165266
PNG
(8-(2-Methoxy-phenylsulfanyl)-9-pent-4-ynyl-9H-puri...)
Show SMILES COc1ccccc1Sc1nc2c(N)ncnc2n1CCCC#C
Show InChI InChI=1S/C17H17N5OS/c1-3-4-7-10-22-16-14(15(18)19-11-20-16)21-17(22)24-13-9-6-5-8-12(13)23-2/h1,5-6,8-9,11H,4,7,10H2,2H3,(H2,18,19,20)
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n/an/an/an/a 3.49E+4n/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL


Assay Description
Displacement of 5 nM GM-BODIPY from mouse heat shock protein HSP90-alpha


Citation and Details
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Mus musculus)
BDBM50165281
PNG
(8-(2-Chloro-3,4,5-trimethoxy-phenylsulfanyl)-2-flu...)
Show SMILES COc1cc(Sc2nc3c(N)nc(F)nc3n2CCCC#C)c(Cl)c(OC)c1OC
Show InChI InChI=1S/C19H19ClFN5O3S/c1-5-6-7-8-26-17-13(16(22)24-18(21)25-17)23-19(26)30-11-9-10(27-2)14(28-3)15(29-4)12(11)20/h1,9H,6-8H2,2-4H3,(H2,22,24,25)
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n/an/an/an/a 120n/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL


Assay Description
Displacement of 5 nM GM-BODIPY from mouse heat shock protein HSP90-alpha


Citation and Details
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Mus musculus)
BDBM50165316
PNG
(8-(2,4-Dichloro-phenylsulfanyl)-9-pent-4-ynyl-9H-p...)
Show SMILES Nc1ncnc2n(CCCC#C)c(Sc3ccc(Cl)cc3Cl)nc12
Show InChI InChI=1S/C16H13Cl2N5S/c1-2-3-4-7-23-15-13(14(19)20-9-21-15)22-16(23)24-12-6-5-10(17)8-11(12)18/h1,5-6,8-9H,3-4,7H2,(H2,19,20,21)
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n/an/an/an/a 3.75E+4n/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL


Assay Description
Displacement of 5 nM GM-BODIPY from mouse heat shock protein HSP90-alpha


Citation and Details
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Mus musculus)
BDBM50165291
PNG
(8-(3-Methoxy-phenylsulfanyl)-9-pent-4-ynyl-9H-puri...)
Show SMILES COc1cccc(Sc2nc3c(N)ncnc3n2CCCC#C)c1
Show InChI InChI=1S/C17H17N5OS/c1-3-4-5-9-22-16-14(15(18)19-11-20-16)21-17(22)24-13-8-6-7-12(10-13)23-2/h1,6-8,10-11H,4-5,9H2,2H3,(H2,18,19,20)
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n/an/an/an/a 970n/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL


Assay Description
Displacement of 5 nM GM-BODIPY from mouse heat shock protein HSP90-alpha


Citation and Details
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Mus musculus)
BDBM50165308
PNG
(9-Butyl-8-(2-chloro-3,4,5-trimethoxy-benzenesulfon...)
Show SMILES CCCCn1c(nc2c(N)ncnc12)S(=O)(=O)c1cc(OC)c(OC)c(OC)c1Cl
Show InChI InChI=1S/C18H22ClN5O5S/c1-5-6-7-24-17-13(16(20)21-9-22-17)23-18(24)30(25,26)11-8-10(27-2)14(28-3)15(29-4)12(11)19/h8-9H,5-7H2,1-4H3,(H2,20,21,22)
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n/an/an/an/a 4.80E+3n/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL


Assay Description
Displacement of 5 nM GM-BODIPY from mouse heat shock protein HSP90-alpha


Citation and Details
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Mus musculus)
BDBM50165298
PNG
(8-(4-Chloro-phenylsulfanyl)-9-pent-4-ynyl-9H-purin...)
Show SMILES Nc1ncnc2n(CCCC#C)c(Sc3ccc(Cl)cc3)nc12
Show InChI InChI=1S/C16H14ClN5S/c1-2-3-4-9-22-15-13(14(18)19-10-20-15)21-16(22)23-12-7-5-11(17)6-8-12/h1,5-8,10H,3-4,9H2,(H2,18,19,20)
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n/an/an/an/a 3.40E+3n/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL


Assay Description
Displacement of 5 nM GM-BODIPY from mouse heat shock protein HSP90-alpha


Citation and Details
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Mus musculus)
BDBM50165319
PNG
(8-(3,5-Dimethyl-phenylsulfanyl)-9-pent-4-ynyl-9H-p...)
Show SMILES Cc1cc(C)cc(Sc2nc3c(N)ncnc3n2CCCC#C)c1
Show InChI InChI=1S/C18H19N5S/c1-4-5-6-7-23-17-15(16(19)20-11-21-17)22-18(23)24-14-9-12(2)8-13(3)10-14/h1,8-11H,5-7H2,2-3H3,(H2,19,20,21)
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n/an/an/an/a 1.06E+4n/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL


Assay Description
Displacement of 5 nM GM-BODIPY from mouse heat shock protein HSP90-alpha


Citation and Details
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Mus musculus)
BDBM50165313
PNG
(8-(2,4-Dichloro-5-methoxy-phenylsulfanyl)-9-(2-iso...)
Show SMILES COc1cc(Sc2nc3c(N)ncnc3n2CCOC(C)C)c(Cl)cc1Cl
Show InChI InChI=1S/C17H19Cl2N5O2S/c1-9(2)26-5-4-24-16-14(15(20)21-8-22-16)23-17(24)27-13-7-12(25-3)10(18)6-11(13)19/h6-9H,4-5H2,1-3H3,(H2,20,21,22)
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n/an/an/an/a 5.00E+3n/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL


Assay Description
Displacement of 5 nM GM-BODIPY from mouse heat shock protein HSP90-alpha


Citation and Details
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Mus musculus)
BDBM50165280
PNG
(9-Pent-4-ynyl-8-(3,4,5-trimethoxy-benzenesulfonyl)...)
Show SMILES COc1cc(cc(OC)c1OC)S(=O)(=O)c1nc2c(N)ncnc2n1CCCC#C
Show InChI InChI=1S/C19H21N5O5S/c1-5-6-7-8-24-18-15(17(20)21-11-22-18)23-19(24)30(25,26)12-9-13(27-2)16(29-4)14(10-12)28-3/h1,9-11H,6-8H2,2-4H3,(H2,20,21,22)
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n/an/an/an/a>5.00E+4n/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL


Assay Description
Displacement of 5 nM GM-BODIPY from mouse heat shock protein HSP90-alpha


Citation and Details
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Mus musculus)
BDBM50165299
PNG
(9-Pent-4-ynyl-8-(3,4,5-trimethoxy-phenylsulfanyl)-...)
Show SMILES COc1cc(Sc2nc3c(N)ncnc3n2CCCC#C)cc(OC)c1OC
Show InChI InChI=1S/C19H21N5O3S/c1-5-6-7-8-24-18-15(17(20)21-11-22-18)23-19(24)28-12-9-13(25-2)16(27-4)14(10-12)26-3/h1,9-11H,6-8H2,2-4H3,(H2,20,21,22)
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n/an/an/an/a 1.50E+3n/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL


Assay Description
Displacement of 5 nM GM-BODIPY from mouse heat shock protein HSP90-alpha


Citation and Details
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Mus musculus)
BDBM50165273
PNG
(2-Fluoro-9-pent-4-ynyl-8-(3,4,5-trimethoxy-phenyls...)
Show SMILES COc1cc(Sc2nc3c(N)nc(F)nc3n2CCCC#C)cc(OC)c1OC
Show InChI InChI=1S/C19H20FN5O3S/c1-5-6-7-8-25-17-14(16(21)23-18(20)24-17)22-19(25)29-11-9-12(26-2)15(28-4)13(10-11)27-3/h1,9-10H,6-8H2,2-4H3,(H2,21,23,24)
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n/an/an/an/a 1.50E+3n/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL


Assay Description
Displacement of 5 nM GM-BODIPY from mouse heat shock protein HSP90-alpha


Citation and Details
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Mus musculus)
BDBM50165294
PNG
(CHEMBL190438 | [2-(6-Amino-9-pent-4-ynyl-9H-purin-...)
Show SMILES Nc1ncnc2n(CCCC#C)c(Sc3ccccc3CO)nc12
Show InChI InChI=1S/C17H17N5OS/c1-2-3-6-9-22-16-14(15(18)19-11-20-16)21-17(22)24-13-8-5-4-7-12(13)10-23/h1,4-5,7-8,11,23H,3,6,9-10H2,(H2,18,19,20)
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n/an/an/an/a 8.51E+4n/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL


Assay Description
Displacement of 5 nM GM-BODIPY from mouse heat shock protein HSP90-alpha


Citation and Details
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Mus musculus)
BDBM50165288
PNG
(2-Fluoro-9-(2-isopropoxy-ethyl)-8-(3,4,5-trimethox...)
Show SMILES COc1cc(Sc2nc3c(N)nc(F)nc3n2CCOC(C)C)cc(OC)c1OC
Show InChI InChI=1S/C19H24FN5O4S/c1-10(2)29-7-6-25-17-14(16(21)23-18(20)24-17)22-19(25)30-11-8-12(26-3)15(28-5)13(9-11)27-4/h8-10H,6-7H2,1-5H3,(H2,21,23,24)
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n/an/an/an/a 2.50E+3n/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL


Assay Description
Displacement of 5 nM GM-BODIPY from mouse heat shock protein HSP90-alpha


Citation and Details
More data for this
Ligand-Target Pair
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