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Patent code US11028041

Compile Data Set for Download or QSAR
Found 36 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
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Heat shock protein 90 beta


(Canis familiaris)
BDBM501623
PNG
(US11028041, Compound 6)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1ccccc1Cc1ccccc1
Show InChI InChI=1S/C23H21ClO4/c1-28-23(27)21-18(22(24)20(26)14-19(21)25)12-11-16-9-5-6-10-17(16)13-15-7-3-2-4-8-15/h2-10,14,25-26H,11-13H2,1H3
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n/an/an/a 630n/an/an/an/an/a



University of Kansas

US Patent


Assay Description
The assay was performed in 96-well black, flat-bottom plates with a final volume of 100 μL. 25 μL of assay buffer (20 mM HEPES, pH 7.3, 50 ...


US Patent US11028041 (2021)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM501638
PNG
(US11028041, Compound 29)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1ccccc1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C23H20Cl2O4/c1-29-23(28)21-18(22(25)20(27)13-19(21)26)11-8-15-4-2-3-5-16(15)12-14-6-9-17(24)10-7-14/h2-7,9-10,13,26-27H,8,11-12H2,1H3
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n/an/an/a>1.00E+5n/an/an/an/an/a



University of Kansas

US Patent


Assay Description
The assay was performed in 96-well black, flat-bottom plates with a final volume of 100 μL. 25 μL of assay buffer (20 mM HEPES, pH 7.3, 50 ...


US Patent US11028041 (2021)

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


(Homo sapiens (Human))
BDBM501635
PNG
(US11028041, Compound 26)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1ccccc1Cc1ccccc1OC
Show InChI InChI=1S/C24H23ClO5/c1-29-21-10-6-5-9-17(21)13-16-8-4-3-7-15(16)11-12-18-22(24(28)30-2)19(26)14-20(27)23(18)25/h3-10,14,26-27H,11-13H2,1-2H3
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n/an/an/a>1.00E+5n/an/an/an/an/a



University of Kansas

US Patent


Assay Description
The assay was performed in 96-well black, flat-bottom plates with a final volume of 100 μL. 25 μL of assay buffer (20 mM HEPES, pH 7.3, 50 ...


US Patent US11028041 (2021)

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


(Homo sapiens (Human))
BDBM501636
PNG
(US11028041, Compound 27)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1ccccc1Cc1ccccc1Cl
Show InChI InChI=1S/C23H20Cl2O4/c1-29-23(28)21-17(22(25)20(27)13-19(21)26)11-10-14-6-2-3-7-15(14)12-16-8-4-5-9-18(16)24/h2-9,13,26-27H,10-12H2,1H3
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n/an/an/a>1.00E+5n/an/an/an/an/a



University of Kansas

US Patent


Assay Description
The assay was performed in 96-well black, flat-bottom plates with a final volume of 100 μL. 25 μL of assay buffer (20 mM HEPES, pH 7.3, 50 ...


US Patent US11028041 (2021)

More data for this
Ligand-Target Pair
Heat shock protein 90 beta


(Canis familiaris)
BDBM501637
PNG
(US11028041, Compound 28)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1ccccc1Cc1cccc(Cl)c1
Show InChI InChI=1S/C23H20Cl2O4/c1-29-23(28)21-18(22(25)20(27)13-19(21)26)10-9-15-6-2-3-7-16(15)11-14-5-4-8-17(24)12-14/h2-8,12-13,26-27H,9-11H2,1H3
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n/an/an/a 1.19E+4n/an/an/an/an/a



University of Kansas

US Patent


Assay Description
The assay was performed in 96-well black, flat-bottom plates with a final volume of 100 μL. 25 μL of assay buffer (20 mM HEPES, pH 7.3, 50 ...


US Patent US11028041 (2021)

More data for this
Ligand-Target Pair
Heat shock protein 90 beta


(Canis familiaris)
BDBM50450703
PNG
(CHEMBL4159086 | US11028041, Compound 30)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1ccccc1Cc1ccc(F)cc1
Show InChI InChI=1S/C23H20ClFO4/c1-29-23(28)21-18(22(24)20(27)13-19(21)26)11-8-15-4-2-3-5-16(15)12-14-6-9-17(25)10-7-14/h2-7,9-10,13,26-27H,8,11-12H2,1H3
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n/an/an/a 540n/an/an/an/an/a



University of Kansas

US Patent


Assay Description
The assay was performed in 96-well black, flat-bottom plates with a final volume of 100 μL. 25 μL of assay buffer (20 mM HEPES, pH 7.3, 50 ...


US Patent US11028041 (2021)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Heat shock protein 90 beta


(Canis familiaris)
BDBM501627
PNG
(US11028041, Compound 18)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1cccc(OC)c1Cc1ccccc1
Show InChI InChI=1S/C24H23ClO5/c1-29-21-10-6-9-16(18(21)13-15-7-4-3-5-8-15)11-12-17-22(24(28)30-2)19(26)14-20(27)23(17)25/h3-10,14,26-27H,11-13H2,1-2H3
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n/an/an/a 730n/an/an/an/an/a



University of Kansas

US Patent


Assay Description
The assay was performed in 96-well black, flat-bottom plates with a final volume of 100 μL. 25 μL of assay buffer (20 mM HEPES, pH 7.3, 50 ...


US Patent US11028041 (2021)

More data for this
Ligand-Target Pair
Heat shock protein 90 beta


(Canis familiaris)
BDBM501631
PNG
(US11028041, Compound 22)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1cc(O)ccc1Cc1ccccc1
Show InChI InChI=1S/C23H21ClO5/c1-29-23(28)21-18(22(24)20(27)13-19(21)26)10-8-16-12-17(25)9-7-15(16)11-14-5-3-2-4-6-14/h2-7,9,12-13,25-27H,8,10-11H2,1H3
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n/an/an/a 300n/an/an/an/an/a



University of Kansas

US Patent


Assay Description
The assay was performed in 96-well black, flat-bottom plates with a final volume of 100 μL. 25 μL of assay buffer (20 mM HEPES, pH 7.3, 50 ...


US Patent US11028041 (2021)

More data for this
Ligand-Target Pair
Heat shock protein 90 beta


(Canis familiaris)
BDBM501636
PNG
(US11028041, Compound 27)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1ccccc1Cc1ccccc1Cl
Show InChI InChI=1S/C23H20Cl2O4/c1-29-23(28)21-17(22(25)20(27)13-19(21)26)11-10-14-6-2-3-7-15(14)12-16-8-4-5-9-18(16)24/h2-9,13,26-27H,10-12H2,1H3
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n/an/an/a 5.50E+3n/an/an/an/an/a



University of Kansas

US Patent


Assay Description
The assay was performed in 96-well black, flat-bottom plates with a final volume of 100 μL. 25 μL of assay buffer (20 mM HEPES, pH 7.3, 50 ...


US Patent US11028041 (2021)

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


(Homo sapiens (Human))
BDBM501640
PNG
(US11028041, Compound 31)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1cccnc1Cc1ccc(F)cc1
Show InChI InChI=1S/C22H19ClFNO4/c1-29-22(28)20-16(21(23)19(27)12-18(20)26)9-6-14-3-2-10-25-17(14)11-13-4-7-15(24)8-5-13/h2-5,7-8,10,12,26-27H,6,9,11H2,1H3
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n/an/an/a 460n/an/an/an/an/a



University of Kansas

US Patent


Assay Description
The assay was performed in 96-well black, flat-bottom plates with a final volume of 100 μL. 25 μL of assay buffer (20 mM HEPES, pH 7.3, 50 ...


US Patent US11028041 (2021)

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


(Homo sapiens (Human))
BDBM501623
PNG
(US11028041, Compound 6)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1ccccc1Cc1ccccc1
Show InChI InChI=1S/C23H21ClO4/c1-28-23(27)21-18(22(24)20(26)14-19(21)25)12-11-16-9-5-6-10-17(16)13-15-7-3-2-4-8-15/h2-10,14,25-26H,11-13H2,1H3
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n/an/an/a 2.07E+4n/an/an/an/an/a



University of Kansas

US Patent


Assay Description
The assay was performed in 96-well black, flat-bottom plates with a final volume of 100 μL. 25 μL of assay buffer (20 mM HEPES, pH 7.3, 50 ...


US Patent US11028041 (2021)

More data for this
Ligand-Target Pair
Heat shock protein 90 beta


(Canis familiaris)
BDBM501625
PNG
(US11028041, Compound 16)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1cc(OC)ccc1Cc1ccccc1
Show InChI InChI=1S/C24H23ClO5/c1-29-18-10-8-16(12-15-6-4-3-5-7-15)17(13-18)9-11-19-22(24(28)30-2)20(26)14-21(27)23(19)25/h3-8,10,13-14,26-27H,9,11-12H2,1-2H3
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n/an/an/a 450n/an/an/an/an/a



University of Kansas

US Patent


Assay Description
The assay was performed in 96-well black, flat-bottom plates with a final volume of 100 μL. 25 μL of assay buffer (20 mM HEPES, pH 7.3, 50 ...


US Patent US11028041 (2021)

More data for this
Ligand-Target Pair
Heat shock protein 90 beta


(Canis familiaris)
BDBM501632
PNG
(US11028041, Compound 23)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1ccc(O)cc1Cc1ccccc1
Show InChI InChI=1S/C23H21ClO5/c1-29-23(28)21-18(22(24)20(27)13-19(21)26)10-8-15-7-9-17(25)12-16(15)11-14-5-3-2-4-6-14/h2-7,9,12-13,25-27H,8,10-11H2,1H3
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n/an/an/a 330n/an/an/an/an/a



University of Kansas

US Patent


Assay Description
The assay was performed in 96-well black, flat-bottom plates with a final volume of 100 μL. 25 μL of assay buffer (20 mM HEPES, pH 7.3, 50 ...


US Patent US11028041 (2021)

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


(Homo sapiens (Human))
BDBM501633
PNG
(US11028041, Compound 24)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1cccc(O)c1Cc1ccccc1
Show InChI InChI=1S/C23H21ClO5/c1-29-23(28)21-16(22(24)20(27)13-19(21)26)11-10-15-8-5-9-18(25)17(15)12-14-6-3-2-4-7-14/h2-9,13,25-27H,10-12H2,1H3
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n/an/an/a 2.00E+3n/an/an/an/an/a



University of Kansas

US Patent


Assay Description
The assay was performed in 96-well black, flat-bottom plates with a final volume of 100 μL. 25 μL of assay buffer (20 mM HEPES, pH 7.3, 50 ...


US Patent US11028041 (2021)

More data for this
Ligand-Target Pair
Heat shock protein 90 beta


(Canis familiaris)
BDBM501640
PNG
(US11028041, Compound 31)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1cccnc1Cc1ccc(F)cc1
Show InChI InChI=1S/C22H19ClFNO4/c1-29-22(28)20-16(21(23)19(27)12-18(20)26)9-6-14-3-2-10-25-17(14)11-13-4-7-15(24)8-5-13/h2-5,7-8,10,12,26-27H,6,9,11H2,1H3
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n/an/an/a 360n/an/an/an/an/a



University of Kansas

US Patent


Assay Description
The assay was performed in 96-well black, flat-bottom plates with a final volume of 100 μL. 25 μL of assay buffer (20 mM HEPES, pH 7.3, 50 ...


US Patent US11028041 (2021)

More data for this
Ligand-Target Pair
Heat shock protein 90 beta


(Canis familiaris)
BDBM501624
PNG
(US11028041, Compound 7)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1cccc(Cc2ccccc2)c1
Show InChI InChI=1S/C23H21ClO4/c1-28-23(27)21-18(22(24)20(26)14-19(21)25)11-10-16-8-5-9-17(13-16)12-15-6-3-2-4-7-15/h2-9,13-14,25-26H,10-12H2,1H3
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n/an/an/a 1.04E+4n/an/an/an/an/a



University of Kansas

US Patent


Assay Description
The assay was performed in 96-well black, flat-bottom plates with a final volume of 100 μL. 25 μL of assay buffer (20 mM HEPES, pH 7.3, 50 ...


US Patent US11028041 (2021)

More data for this
Ligand-Target Pair
Heat shock protein 90 beta


(Canis familiaris)
BDBM501628
PNG
(US11028041, Compound 19)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1cc(N)ccc1Cc1ccccc1
Show InChI InChI=1S/C23H22ClNO4/c1-29-23(28)21-18(22(24)20(27)13-19(21)26)10-8-16-12-17(25)9-7-15(16)11-14-5-3-2-4-6-14/h2-7,9,12-13,26-27H,8,10-11,25H2,1H3
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n/an/an/a 280n/an/an/an/an/a



University of Kansas

US Patent


Assay Description
The assay was performed in 96-well black, flat-bottom plates with a final volume of 100 μL. 25 μL of assay buffer (20 mM HEPES, pH 7.3, 50 ...


US Patent US11028041 (2021)

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


(Homo sapiens (Human))
BDBM501632
PNG
(US11028041, Compound 23)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1ccc(O)cc1Cc1ccccc1
Show InChI InChI=1S/C23H21ClO5/c1-29-23(28)21-18(22(24)20(27)13-19(21)26)10-8-15-7-9-17(25)12-16(15)11-14-5-3-2-4-6-14/h2-7,9,12-13,25-27H,8,10-11H2,1H3
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n/an/an/a 920n/an/an/an/an/a



University of Kansas

US Patent


Assay Description
The assay was performed in 96-well black, flat-bottom plates with a final volume of 100 μL. 25 μL of assay buffer (20 mM HEPES, pH 7.3, 50 ...


US Patent US11028041 (2021)

More data for this
Ligand-Target Pair
Heat shock protein 90 beta


(Canis familiaris)
BDBM501638
PNG
(US11028041, Compound 29)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1ccccc1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C23H20Cl2O4/c1-29-23(28)21-18(22(25)20(27)13-19(21)26)11-8-15-4-2-3-5-16(15)12-14-6-9-17(24)10-7-14/h2-7,9-10,13,26-27H,8,11-12H2,1H3
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n/an/an/a 4.20E+3n/an/an/an/an/a



University of Kansas

US Patent


Assay Description
The assay was performed in 96-well black, flat-bottom plates with a final volume of 100 μL. 25 μL of assay buffer (20 mM HEPES, pH 7.3, 50 ...


US Patent US11028041 (2021)

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


(Homo sapiens (Human))
BDBM50450703
PNG
(CHEMBL4159086 | US11028041, Compound 30)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1ccccc1Cc1ccc(F)cc1
Show InChI InChI=1S/C23H20ClFO4/c1-29-23(28)21-18(22(24)20(27)13-19(21)26)11-8-15-4-2-3-5-16(15)12-14-6-9-17(25)10-7-14/h2-7,9-10,13,26-27H,8,11-12H2,1H3
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n/an/an/a 3.92E+4n/an/an/an/an/a



University of Kansas

US Patent


Assay Description
The assay was performed in 96-well black, flat-bottom plates with a final volume of 100 μL. 25 μL of assay buffer (20 mM HEPES, pH 7.3, 50 ...


US Patent US11028041 (2021)

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


(Homo sapiens (Human))
BDBM501624
PNG
(US11028041, Compound 7)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1cccc(Cc2ccccc2)c1
Show InChI InChI=1S/C23H21ClO4/c1-28-23(27)21-18(22(24)20(26)14-19(21)25)11-10-16-8-5-9-17(13-16)12-15-6-3-2-4-7-15/h2-9,13-14,25-26H,10-12H2,1H3
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n/an/an/a>1.00E+5n/an/an/an/an/a



University of Kansas

US Patent


Assay Description
The assay was performed in 96-well black, flat-bottom plates with a final volume of 100 μL. 25 μL of assay buffer (20 mM HEPES, pH 7.3, 50 ...


US Patent US11028041 (2021)

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


(Homo sapiens (Human))
BDBM501625
PNG
(US11028041, Compound 16)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1cc(OC)ccc1Cc1ccccc1
Show InChI InChI=1S/C24H23ClO5/c1-29-18-10-8-16(12-15-6-4-3-5-7-15)17(13-18)9-11-19-22(24(28)30-2)20(26)14-21(27)23(19)25/h3-8,10,13-14,26-27H,9,11-12H2,1-2H3
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n/an/an/a 2.20E+3n/an/an/an/an/a



University of Kansas

US Patent


Assay Description
The assay was performed in 96-well black, flat-bottom plates with a final volume of 100 μL. 25 μL of assay buffer (20 mM HEPES, pH 7.3, 50 ...


US Patent US11028041 (2021)

More data for this
Ligand-Target Pair
Heat shock protein 90 beta


(Canis familiaris)
BDBM501626
PNG
(US11028041, Compound 17)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1ccc(OC)cc1Cc1ccccc1
Show InChI InChI=1S/C24H23ClO5/c1-29-18-10-8-16(17(13-18)12-15-6-4-3-5-7-15)9-11-19-22(24(28)30-2)20(26)14-21(27)23(19)25/h3-8,10,13-14,26-27H,9,11-12H2,1-2H3
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n/an/an/a 680n/an/an/an/an/a



University of Kansas

US Patent


Assay Description
The assay was performed in 96-well black, flat-bottom plates with a final volume of 100 μL. 25 μL of assay buffer (20 mM HEPES, pH 7.3, 50 ...


US Patent US11028041 (2021)

More data for this
Ligand-Target Pair
Heat shock protein 90 beta


(Canis familiaris)
BDBM501630
PNG
(US11028041, Compound 21)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1cccnc1Cc1ccccc1
Show InChI InChI=1S/C22H20ClNO4/c1-28-22(27)20-16(21(23)19(26)13-18(20)25)10-9-15-8-5-11-24-17(15)12-14-6-3-2-4-7-14/h2-8,11,13,25-26H,9-10,12H2,1H3
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n/an/an/a 180n/an/an/an/an/a



University of Kansas

US Patent


Assay Description
The assay was performed in 96-well black, flat-bottom plates with a final volume of 100 μL. 25 μL of assay buffer (20 mM HEPES, pH 7.3, 50 ...


US Patent US11028041 (2021)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM501631
PNG
(US11028041, Compound 22)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1cc(O)ccc1Cc1ccccc1
Show InChI InChI=1S/C23H21ClO5/c1-29-23(28)21-18(22(24)20(27)13-19(21)26)10-8-16-12-17(25)9-7-15(16)11-14-5-3-2-4-6-14/h2-7,9,12-13,25-27H,8,10-11H2,1H3
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n/an/an/a 2.10E+3n/an/an/an/an/a



University of Kansas

US Patent


Assay Description
The assay was performed in 96-well black, flat-bottom plates with a final volume of 100 μL. 25 μL of assay buffer (20 mM HEPES, pH 7.3, 50 ...


US Patent US11028041 (2021)

More data for this
Ligand-Target Pair
Heat shock protein 90 beta


(Canis familiaris)
BDBM501634
PNG
(US11028041, Compound 25)
Show SMILES CCOc1ccccc1Cc1ccccc1CCc1c(Cl)c(O)cc(O)c1C(=O)OC
Show InChI InChI=1S/C25H25ClO5/c1-3-31-22-11-7-6-10-18(22)14-17-9-5-4-8-16(17)12-13-19-23(25(29)30-2)20(27)15-21(28)24(19)26/h4-11,15,27-28H,3,12-14H2,1-2H3
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n/an/an/a 6.10E+3n/an/an/an/an/a



University of Kansas

US Patent


Assay Description
The assay was performed in 96-well black, flat-bottom plates with a final volume of 100 μL. 25 μL of assay buffer (20 mM HEPES, pH 7.3, 50 ...


US Patent US11028041 (2021)

More data for this
Ligand-Target Pair
Heat shock protein 90 beta


(Canis familiaris)
BDBM501635
PNG
(US11028041, Compound 26)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1ccccc1Cc1ccccc1OC
Show InChI InChI=1S/C24H23ClO5/c1-29-21-10-6-5-9-17(21)13-16-8-4-3-7-15(16)11-12-18-22(24(28)30-2)19(26)14-20(27)23(18)25/h3-10,14,26-27H,11-13H2,1-2H3
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n/an/an/a 7.80E+3n/an/an/an/an/a



University of Kansas

US Patent


Assay Description
The assay was performed in 96-well black, flat-bottom plates with a final volume of 100 μL. 25 μL of assay buffer (20 mM HEPES, pH 7.3, 50 ...


US Patent US11028041 (2021)

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


(Homo sapiens (Human))
BDBM501627
PNG
(US11028041, Compound 18)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1cccc(OC)c1Cc1ccccc1
Show InChI InChI=1S/C24H23ClO5/c1-29-21-10-6-9-16(18(21)13-15-7-4-3-5-8-15)11-12-17-22(24(28)30-2)19(26)14-20(27)23(17)25/h3-10,14,26-27H,11-13H2,1-2H3
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n/an/an/a 1.37E+4n/an/an/an/an/a



University of Kansas

US Patent


Assay Description
The assay was performed in 96-well black, flat-bottom plates with a final volume of 100 μL. 25 μL of assay buffer (20 mM HEPES, pH 7.3, 50 ...


US Patent US11028041 (2021)

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


(Homo sapiens (Human))
BDBM501628
PNG
(US11028041, Compound 19)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1cc(N)ccc1Cc1ccccc1
Show InChI InChI=1S/C23H22ClNO4/c1-29-23(28)21-18(22(24)20(27)13-19(21)26)10-8-16-12-17(25)9-7-15(16)11-14-5-3-2-4-6-14/h2-7,9,12-13,26-27H,8,10-11,25H2,1H3
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n/an/an/a 1.00E+3n/an/an/an/an/a



University of Kansas

US Patent


Assay Description
The assay was performed in 96-well black, flat-bottom plates with a final volume of 100 μL. 25 μL of assay buffer (20 mM HEPES, pH 7.3, 50 ...


US Patent US11028041 (2021)

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


(Homo sapiens (Human))
BDBM501629
PNG
(US11028041, Compound 20)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1ccc(N)cc1Cc1ccccc1
Show InChI InChI=1S/C23H22ClNO4/c1-29-23(28)21-18(22(24)20(27)13-19(21)26)10-8-15-7-9-17(25)12-16(15)11-14-5-3-2-4-6-14/h2-7,9,12-13,26-27H,8,10-11,25H2,1H3
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n/an/an/a 340n/an/an/an/an/a



University of Kansas

US Patent


Assay Description
The assay was performed in 96-well black, flat-bottom plates with a final volume of 100 μL. 25 μL of assay buffer (20 mM HEPES, pH 7.3, 50 ...


US Patent US11028041 (2021)

More data for this
Ligand-Target Pair
Heat shock protein 90 beta


(Canis familiaris)
BDBM501633
PNG
(US11028041, Compound 24)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1cccc(O)c1Cc1ccccc1
Show InChI InChI=1S/C23H21ClO5/c1-29-23(28)21-16(22(24)20(27)13-19(21)26)11-10-15-8-5-9-18(25)17(15)12-14-6-3-2-4-7-14/h2-9,13,25-27H,10-12H2,1H3
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n/an/an/a 540n/an/an/an/an/a



University of Kansas

US Patent


Assay Description
The assay was performed in 96-well black, flat-bottom plates with a final volume of 100 μL. 25 μL of assay buffer (20 mM HEPES, pH 7.3, 50 ...


US Patent US11028041 (2021)

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


(Homo sapiens (Human))
BDBM501634
PNG
(US11028041, Compound 25)
Show SMILES CCOc1ccccc1Cc1ccccc1CCc1c(Cl)c(O)cc(O)c1C(=O)OC
Show InChI InChI=1S/C25H25ClO5/c1-3-31-22-11-7-6-10-18(22)14-17-9-5-4-8-16(17)12-13-19-23(25(29)30-2)20(27)15-21(28)24(19)26/h4-11,15,27-28H,3,12-14H2,1-2H3
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n/an/an/a>1.00E+5n/an/an/an/an/a



University of Kansas

US Patent


Assay Description
The assay was performed in 96-well black, flat-bottom plates with a final volume of 100 μL. 25 μL of assay buffer (20 mM HEPES, pH 7.3, 50 ...


US Patent US11028041 (2021)

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


(Homo sapiens (Human))
BDBM501637
PNG
(US11028041, Compound 28)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1ccccc1Cc1cccc(Cl)c1
Show InChI InChI=1S/C23H20Cl2O4/c1-29-23(28)21-18(22(25)20(27)13-19(21)26)10-9-15-6-2-3-7-16(15)11-14-5-4-8-17(24)12-14/h2-8,12-13,26-27H,9-11H2,1H3
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n/an/an/a 4.46E+4n/an/an/an/an/a



University of Kansas

US Patent


Assay Description
The assay was performed in 96-well black, flat-bottom plates with a final volume of 100 μL. 25 μL of assay buffer (20 mM HEPES, pH 7.3, 50 ...


US Patent US11028041 (2021)

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


(Homo sapiens (Human))
BDBM501626
PNG
(US11028041, Compound 17)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1ccc(OC)cc1Cc1ccccc1
Show InChI InChI=1S/C24H23ClO5/c1-29-18-10-8-16(17(13-18)12-15-6-4-3-5-7-15)9-11-19-22(24(28)30-2)20(26)14-21(27)23(19)25/h3-8,10,13-14,26-27H,9,11-12H2,1-2H3
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n/an/an/a 2.60E+3n/an/an/an/an/a



University of Kansas

US Patent


Assay Description
The assay was performed in 96-well black, flat-bottom plates with a final volume of 100 μL. 25 μL of assay buffer (20 mM HEPES, pH 7.3, 50 ...


US Patent US11028041 (2021)

More data for this
Ligand-Target Pair
Heat shock protein 90 beta


(Canis familiaris)
BDBM501629
PNG
(US11028041, Compound 20)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1ccc(N)cc1Cc1ccccc1
Show InChI InChI=1S/C23H22ClNO4/c1-29-23(28)21-18(22(24)20(27)13-19(21)26)10-8-15-7-9-17(25)12-16(15)11-14-5-3-2-4-6-14/h2-7,9,12-13,26-27H,8,10-11,25H2,1H3
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n/an/an/a 240n/an/an/an/an/a



University of Kansas

US Patent


Assay Description
The assay was performed in 96-well black, flat-bottom plates with a final volume of 100 μL. 25 μL of assay buffer (20 mM HEPES, pH 7.3, 50 ...


US Patent US11028041 (2021)

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


(Homo sapiens (Human))
BDBM501630
PNG
(US11028041, Compound 21)
Show SMILES COC(=O)c1c(O)cc(O)c(Cl)c1CCc1cccnc1Cc1ccccc1
Show InChI InChI=1S/C22H20ClNO4/c1-28-22(27)20-16(21(23)19(26)13-18(20)25)10-9-15-8-5-11-24-17(15)12-14-6-3-2-4-7-14/h2-8,11,13,25-26H,9-10,12H2,1H3
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n/an/an/a 160n/an/an/an/an/a



University of Kansas

US Patent


Assay Description
The assay was performed in 96-well black, flat-bottom plates with a final volume of 100 μL. 25 μL of assay buffer (20 mM HEPES, pH 7.3, 50 ...


US Patent US11028041 (2021)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%