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Patent code US9718793

Compile Data Set for Download or QSAR
Found 138 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))
BDBM265053
PNG
(US9718793, 12a)
Show SMILES Oc1cc(O)c(cc1Cl)-c1oncc1-c1ccc(Br)cc1
Show InChI InChI=1S/C15H9BrClNO3/c16-9-3-1-8(2-4-9)11-7-18-21-15(11)10-5-12(17)14(20)6-13(10)19/h1-7,19-20H
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n/an/a<1.00E+4n/an/an/an/an/an/a



Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM265056
PNG
(US9718793, 12b**)
Show SMILES COc1ccc(cc1)-c1c(C)noc1-c1cc(C#N)c(O)cc1O
Show InChI InChI=1S/C18H14N2O4/c1-10-17(11-3-5-13(23-2)6-4-11)18(24-20-10)14-7-12(9-19)15(21)8-16(14)22/h3-8,21-22H,1-2H3
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n/an/a<1.00E+4n/an/an/an/an/an/a



Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM265059
PNG
(US9718793, 12c$#167;)
Show SMILES Cc1cc(O)cc(O)c1-c1oncc1-c1csc(n1)-c1ccccc1
Show InChI InChI=1S/C19H14N2O3S/c1-11-7-13(22)8-16(23)17(11)18-14(9-20-24-18)15-10-25-19(21-15)12-5-3-2-4-6-12/h2-10,22-23H,1H3
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM265065
PNG
(US9718793, 17)
Show SMILES COc1ccc(cc1)-c1c(C)noc1-c1cc(C=O)c(O)cc1O
Show InChI InChI=1S/C18H15NO5/c1-10-17(11-3-5-13(23-2)6-4-11)18(24-19-10)14-7-12(9-20)15(21)8-16(14)22/h3-9,21-22H,1-2H3
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM265083
PNG
(US9718793, 27)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(F)cc1)-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C18H14ClFN2O4/c1-2-21-18(25)16-15(9-3-5-10(20)6-4-9)17(26-22-16)11-7-12(19)14(24)8-13(11)23/h3-8,23-24H,2H2,1H3,(H,21,25)
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Fluorescence polarization {also known as fluorescence anisotropy} measures the rotation of a fluorescing species in solution, where the larger molecu...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM265101
PNG
(US9718793, 35)
Show SMILES CCNC(=O)c1noc(c1-c1cccc2ccccc12)-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C22H17ClN2O4/c1-2-24-22(28)20-19(14-9-5-7-12-6-3-4-8-13(12)14)21(29-25-20)15-10-16(23)18(27)11-17(15)26/h3-11,26-27H,2H2,1H3,(H,24,28)
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Fluorescence polarization {also known as fluorescence anisotropy} measures the rotation of a fluorescing species in solution, where the larger molecu...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM265116
PNG
(US9718793, 42)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(cc1)C(C)N1CCOCC1)-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C24H26ClN3O5/c1-3-26-24(31)22-21(23(33-27-22)17-12-18(25)20(30)13-19(17)29)16-6-4-15(5-7-16)14(2)28-8-10-32-11-9-28/h4-7,12-14,29-30H,3,8-11H2,1-2H3,(H,26,31)
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Fluorescence polarization {also known as fluorescence anisotropy} measures the rotation of a fluorescing species in solution, where the larger molecu...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM265143
PNG
(US9718793, 51)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCC(CCO)CC2)cc1)-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C26H30ClN3O5/c1-2-28-26(34)24-23(25(35-29-24)19-13-20(27)22(33)14-21(19)32)18-5-3-17(4-6-18)15-30-10-7-16(8-11-30)9-12-31/h3-6,13-14,16,31-33H,2,7-12,15H2,1H3,(H,28,34)
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Fluorescence polarization {also known as fluorescence anisotropy} measures the rotation of a fluorescing species in solution, where the larger molecu...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM20906
PNG
(5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-{4-[(4-...)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCC(O)CC2)cc1)-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C24H26ClN3O5/c1-2-26-24(32)22-21(23(33-27-22)17-11-18(25)20(31)12-19(17)30)15-5-3-14(4-6-15)13-28-9-7-16(29)8-10-28/h3-6,11-12,16,29-31H,2,7-10,13H2,1H3,(H,26,32)
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n/an/a<1.00E+4n/an/an/an/an/an/a



Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Fluorescence polarization {also known as fluorescence anisotropy} measures the rotation of a fluorescing species in solution, where the larger molecu...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM265173
PNG
(US9718793, 61)
Show SMILES CCNC(=O)c1noc(c1-c1cccc(CN2CCNC(=O)C2)c1)-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C23H23ClN4O5/c1-2-25-23(32)21-20(22(33-27-21)15-9-16(24)18(30)10-17(15)29)14-5-3-4-13(8-14)11-28-7-6-26-19(31)12-28/h3-5,8-10,29-30H,2,6-7,11-12H2,1H3,(H,25,32)(H,26,31)
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Fluorescence polarization {also known as fluorescence anisotropy} measures the rotation of a fluorescing species in solution, where the larger molecu...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM20914
PNG
(4-{4-[(diethylamino)methyl]phenyl}-N-ethyl-5-(5-et...)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN(CC)CC)cc1)-c1cc(CC)c(O)cc1O
Show InChI InChI=1S/C25H31N3O4/c1-5-17-13-19(21(30)14-20(17)29)24-22(23(27-32-24)25(31)26-6-2)18-11-9-16(10-12-18)15-28(7-3)8-4/h9-14,29-30H,5-8,15H2,1-4H3,(H,26,31)
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Fluorescence polarization {also known as fluorescence anisotropy} measures the rotation of a fluorescing species in solution, where the larger molecu...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM265215
PNG
(US9718793, 41m)
Show SMILES CCNC(=O)c1noc(c1-c1ccccc1CN1CCOCC1)-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C23H24ClN3O5/c1-2-25-23(30)21-20(22(32-26-21)16-11-17(24)19(29)12-18(16)28)15-6-4-3-5-14(15)13-27-7-9-31-10-8-27/h3-6,11-12,28-29H,2,7-10,13H2,1H3,(H,25,30)
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Fluorescence polarization {also known as fluorescence anisotropy} measures the rotation of a fluorescing species in solution, where the larger molecu...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM265242
PNG
(US9718793, 69)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(C[NH+]2CCCCC2)cc1)-c1cc(CCc2ccc(F)cc2)c(O)cc1O
Show InChI InChI=1S/C32H34FN3O4/c1-2-34-32(39)30-29(23-11-7-22(8-12-23)20-36-16-4-3-5-17-36)31(40-35-30)26-18-24(27(37)19-28(26)38)13-6-21-9-14-25(33)15-10-21/h7-12,14-15,18-19,37-38H,2-6,13,16-17,20H2,1H3,(H,34,39)/p+1
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Fluorescence polarization {also known as fluorescence anisotropy} measures the rotation of a fluorescing species in solution, where the larger molecu...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM265248
PNG
(US9718793, 71)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(F)cc1)-c1cc(c(O)cc1O)-c1ccc(F)cc1
Show InChI InChI=1S/C24H18F2N2O4/c1-2-27-24(31)22-21(14-5-9-16(26)10-6-14)23(32-28-22)18-11-17(19(29)12-20(18)30)13-3-7-15(25)8-4-13/h3-12,29-30H,2H2,1H3,(H,27,31)
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Fluorescence polarization {also known as fluorescence anisotropy} measures the rotation of a fluorescing species in solution, where the larger molecu...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM20919
PNG
(5-(2,4-dihydroxy-5-phenylphenyl)-N-ethyl-4-[4-(pip...)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCCCC2)cc1)-c1cc(c(O)cc1O)-c1ccccc1
Show InChI InChI=1S/C30H31N3O4/c1-2-31-30(36)28-27(22-13-11-20(12-14-22)19-33-15-7-4-8-16-33)29(37-32-28)24-17-23(25(34)18-26(24)35)21-9-5-3-6-10-21/h3,5-6,9-14,17-18,34-35H,2,4,7-8,15-16,19H2,1H3,(H,31,36)
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM265275
PNG
(US9718793, 75e)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCCCC2)cc1)-c1cc(CCc2cccc(F)c2)c(O)cc1O
Show InChI InChI=1S/C32H34FN3O4/c1-2-34-32(39)30-29(23-12-10-22(11-13-23)20-36-15-4-3-5-16-36)31(40-35-30)26-18-24(27(37)19-28(26)38)14-9-21-7-6-8-25(33)17-21/h6-8,10-13,17-19,37-38H,2-5,9,14-16,20H2,1H3,(H,34,39)
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM265305
PNG
(US9718793, 75q)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCN(C)CC2)cc1)-c1cc(c(O)cc1O)-c1ccc(F)cc1
Show InChI InChI=1S/C30H31FN4O4/c1-3-32-30(38)28-27(21-6-4-19(5-7-21)18-35-14-12-34(2)13-15-35)29(39-33-28)24-16-23(25(36)17-26(24)37)20-8-10-22(31)11-9-20/h4-11,16-17,36-37H,3,12-15,18H2,1-2H3,(H,32,38)
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM265323
PNG
(US9718793, 76B)
Show SMILES CCNC(=O)c1onc(c1-c1ccc(OC)cc1)-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C19H17ClN2O5/c1-3-21-19(25)18-16(10-4-6-11(26-2)7-5-10)17(22-27-18)12-8-13(20)15(24)9-14(12)23/h4-9,23-24H,3H2,1-2H3,(H,21,25)
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n/an/a<1.00E+4n/an/an/an/an/an/a



Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM265332
PNG
(US9718793, 77b)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN(CC)CC)cc1)-c1cc(c(O)cc1O)C(C)(C)C
Show InChI InChI=1S/C27H35N3O4/c1-7-28-26(33)24-23(18-12-10-17(11-13-18)16-30(8-2)9-3)25(34-29-24)19-14-20(27(4,5)6)22(32)15-21(19)31/h10-15,31-32H,7-9,16H2,1-6H3,(H,28,33)
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n/an/a<1.00E+4n/an/an/an/an/an/a



Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM265359
PNG
(US9718793, 78e)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CNC(C)C)cc1)-c1cc(C(C)C)c(O)cc1O
Show InChI InChI=1S/C25H31N3O4/c1-6-26-25(31)23-22(17-9-7-16(8-10-17)13-27-15(4)5)24(32-28-23)19-11-18(14(2)3)20(29)12-21(19)30/h7-12,14-15,27,29-30H,6,13H2,1-5H3,(H,26,31)
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n/an/a<1.00E+4n/an/an/an/an/an/a



Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM265376
PNG
(US9718793, 78k)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CNC2CCOCC2)cc1)-c1cc(C(C)C)c(O)cc1O
Show InChI InChI=1S/C27H33N3O5/c1-4-28-27(33)25-24(18-7-5-17(6-8-18)15-29-19-9-11-34-12-10-19)26(35-30-25)21-13-20(16(2)3)22(31)14-23(21)32/h5-8,13-14,16,19,29,31-32H,4,9-12,15H2,1-3H3,(H,28,33)
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM265401
PNG
(US9718793, 78u)
Show SMILES CCN(CC)Cc1ccc(cc1)-c1c(noc1-c1cc(C(C)C)c(O)cc1O)C(=O)NC(C)C
Show InChI InChI=1S/C27H35N3O4/c1-7-30(8-2)15-18-9-11-19(12-10-18)24-25(27(33)28-17(5)6)29-34-26(24)21-13-20(16(3)4)22(31)14-23(21)32/h9-14,16-17,31-32H,7-8,15H2,1-6H3,(H,28,33)
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM265404
PNG
(US9718793, 78w)
Show SMILES CC(C)NC(=O)c1noc(c1-c1ccc(CNC2CCCCC2)cc1)-c1cc(C(C)C)c(O)cc1O
Show InChI InChI=1S/C29H37N3O4/c1-17(2)22-14-23(25(34)15-24(22)33)28-26(27(32-36-28)29(35)31-18(3)4)20-12-10-19(11-13-20)16-30-21-8-6-5-7-9-21/h10-15,17-18,21,30,33-34H,5-9,16H2,1-4H3,(H,31,35)
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM265407
PNG
(US9718793, 78y)
Show SMILES CC(C)NC(=O)c1noc(c1-c1ccc(CNC2CCCC2)cc1)-c1cc(C(C)C)c(O)cc1O
Show InChI InChI=1S/C28H35N3O4/c1-16(2)21-13-22(24(33)14-23(21)32)27-25(26(31-35-27)28(34)30-17(3)4)19-11-9-18(10-12-19)15-29-20-7-5-6-8-20/h9-14,16-17,20,29,32-33H,5-8,15H2,1-4H3,(H,30,34)
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM265416
PNG
(US9718793, 78ab)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CNCC(F)(F)F)cc1)-c1cc(C(C)C)c(O)cc1O
Show InChI InChI=1S/C24H26F3N3O4/c1-4-29-23(33)21-20(15-7-5-14(6-8-15)11-28-12-24(25,26)27)22(34-30-21)17-9-16(13(2)3)18(31)10-19(17)32/h5-10,13,28,31-32H,4,11-12H2,1-3H3,(H,29,33)
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM265428
PNG
(US9718793, 78af)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCC(N)CC2)cc1)-c1cc(C(C)C)c(O)cc1O
Show InChI InChI=1S/C27H34N4O4/c1-4-29-27(34)25-24(18-7-5-17(6-8-18)15-31-11-9-19(28)10-12-31)26(35-30-25)21-13-20(16(2)3)22(32)14-23(21)33/h5-8,13-14,16,19,32-33H,4,9-12,15,28H2,1-3H3,(H,29,34)
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM265032
PNG
(US9718793, 6)
Show SMILES Oc1ccc(Cl)cc1-c1oncc1-c1ccc2OCCOc2c1
Show InChI InChI=1S/C17H12ClNO4/c18-11-2-3-14(20)12(8-11)17-13(9-19-23-17)10-1-4-15-16(7-10)22-6-5-21-15/h1-4,7-9,20H,5-6H2
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM265041
PNG
(US9718793, 9)
Show SMILES Cc1noc(c1-c1ccc(F)cc1)-c1ccc(O)cc1O
Show InChI InChI=1S/C16H12FNO3/c1-9-15(10-2-4-11(17)5-3-10)16(21-18-9)13-7-6-12(19)8-14(13)20/h2-8,19-20H,1H3
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM265128
PNG
(US9718793, 46)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCN(CC2)C(C)=O)cc1)-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C25H27ClN4O5/c1-3-27-25(34)23-22(24(35-28-23)18-12-19(26)21(33)13-20(18)32)17-6-4-16(5-7-17)14-29-8-10-30(11-9-29)15(2)31/h4-7,12-13,32-33H,3,8-11,14H2,1-2H3,(H,27,34)
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Fluorescence polarization {also known as fluorescence anisotropy} measures the rotation of a fluorescing species in solution, where the larger molecu...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM265185
PNG
(US9718793, 41a)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CNCc2ccoc2)cc1)-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C24H22ClN3O5/c1-2-27-24(31)22-21(23(33-28-22)17-9-18(25)20(30)10-19(17)29)16-5-3-14(4-6-16)11-26-12-15-7-8-32-13-15/h3-10,13,26,29-30H,2,11-12H2,1H3,(H,27,31)
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Fluorescence polarization {also known as fluorescence anisotropy} measures the rotation of a fluorescing species in solution, where the larger molecu...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM265197
PNG
(US9718793, 41f)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCCCC2)c(F)c1)-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C24H25ClFN3O4/c1-2-27-24(32)22-21(23(33-28-22)16-11-17(25)20(31)12-19(16)30)14-6-7-15(18(26)10-14)13-29-8-4-3-5-9-29/h6-7,10-12,30-31H,2-5,8-9,13H2,1H3,(H,27,32)
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Fluorescence polarization {also known as fluorescence anisotropy} measures the rotation of a fluorescing species in solution, where the larger molecu...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM265308
PNG
(US9718793, 75r)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(C[NH+](CC)CC)cc1)-c1cc(c(O)cc1O)-c1ccc(F)cc1
Show InChI InChI=1S/C29H30FN3O4/c1-4-31-29(36)27-26(20-9-7-18(8-10-20)17-33(5-2)6-3)28(37-32-27)23-15-22(24(34)16-25(23)35)19-11-13-21(30)14-12-19/h7-16,34-35H,4-6,17H2,1-3H3,(H,31,36)/p+1
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM265370
PNG
(US9718793, 78i)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CNC2CCCCC2)cc1)-c1cc(C(C)C)c(O)cc1O
Show InChI InChI=1S/C28H35N3O4/c1-4-29-28(34)26-25(19-12-10-18(11-13-19)16-30-20-8-6-5-7-9-20)27(35-31-26)22-14-21(17(2)3)23(32)15-24(22)33/h10-15,17,20,30,32-33H,4-9,16H2,1-3H3,(H,29,34)
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM265384
PNG
(US9718793, 78n)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CNCCN(CC)CC)cc1)-c1cc(C(C)C)c(O)cc1O
Show InChI InChI=1S/C28H38N4O4/c1-6-30-28(35)26-25(20-11-9-19(10-12-20)17-29-13-14-32(7-2)8-3)27(36-31-26)22-15-21(18(4)5)23(33)16-24(22)34/h9-12,15-16,18,29,33-34H,6-8,13-14,17H2,1-5H3,(H,30,35)
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM265389
PNG
(US9718793, 78q)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CNC2CCNCC2)cc1)-c1cc(C(C)C)c(O)cc1O
Show InChI InChI=1S/C27H34N4O4/c1-4-29-27(34)25-24(18-7-5-17(6-8-18)15-30-19-9-11-28-12-10-19)26(35-31-25)21-13-20(16(2)3)22(32)14-23(21)33/h5-8,13-14,16,19,28,30,32-33H,4,9-12,15H2,1-3H3,(H,29,34)
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM265395
PNG
(US9718793, 78s)
Show SMILES CC(C)NC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(C(C)C)c(O)cc1O
Show InChI InChI=1S/C27H33N3O5/c1-16(2)20-13-21(23(32)14-22(20)31)26-24(25(29-35-26)27(33)28-17(3)4)19-7-5-18(6-8-19)15-30-9-11-34-12-10-30/h5-8,13-14,16-17,31-32H,9-12,15H2,1-4H3,(H,28,33)
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM265413
PNG
(US9718793, 78aa)
Show SMILES CC(C)NC(=O)c1noc(c1-c1ccc(CN2CCC(F)(F)CC2)cc1)-c1cc(C(C)C)c(O)cc1O
Show InChI InChI=1S/C28H33F2N3O4/c1-16(2)20-13-21(23(35)14-22(20)34)26-24(25(32-37-26)27(36)31-17(3)4)19-7-5-18(6-8-19)15-33-11-9-28(29,30)10-12-33/h5-8,13-14,16-17,34-35H,9-12,15H2,1-4H3,(H,31,36)
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM265419
PNG
(US9718793, 78ac)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCC(F)(F)CC2)cc1)-c1cc(C(C)C)c(O)cc1O
Show InChI InChI=1S/C27H31F2N3O4/c1-4-30-26(35)24-23(25(36-31-24)20-13-19(16(2)3)21(33)14-22(20)34)18-7-5-17(6-8-18)15-32-11-9-27(28,29)10-12-32/h5-8,13-14,16,33-34H,4,9-12,15H2,1-3H3,(H,30,35)
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM265425
PNG
(US9718793, 78ae)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CNC2(CCCCC2)C(N)=O)cc1)-c1cc(C(C)C)c(O)cc1O
Show InChI InChI=1S/C29H36N4O5/c1-4-31-27(36)25-24(26(38-33-25)21-14-20(17(2)3)22(34)15-23(21)35)19-10-8-18(9-11-19)16-32-29(28(30)37)12-6-5-7-13-29/h8-11,14-15,17,32,34-35H,4-7,12-13,16H2,1-3H3,(H2,30,37)(H,31,36)
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM265029
PNG
(US9718793, 5*)
Show SMILES Cc1noc(c1-c1ccc2OCCOc2c1)-c1ccc(O)cc1O
Show InChI InChI=1S/C18H15NO5/c1-10-17(11-2-5-15-16(8-11)23-7-6-22-15)18(24-19-10)13-4-3-12(20)9-14(13)21/h2-5,8-9,20-21H,6-7H2,1H3
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM265044
PNG
(US9718793, 10)
Show SMILES Cc1noc(c1-c1ccccc1)-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C16H12ClNO3/c1-9-15(10-5-3-2-4-6-10)16(21-18-9)11-7-12(17)14(20)8-13(11)19/h2-8,19-20H,1H3
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM265095
PNG
(US9718793, 33)
Show SMILES CCNC(=O)c1noc(c1-c1ccc2ncccc2c1)-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C21H16ClN3O4/c1-2-23-21(28)19-18(12-5-6-15-11(8-12)4-3-7-24-15)20(29-25-19)13-9-14(22)17(27)10-16(13)26/h3-10,26-27H,2H2,1H3,(H,23,28)
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Fluorescence polarization {also known as fluorescence anisotropy} measures the rotation of a fluorescing species in solution, where the larger molecu...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM20904
PNG
(5-(5-chloro-2,4-dihydroxyphenyl)-4-{4-[(diethylami...)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN(CC)CC)cc1)-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C23H26ClN3O4/c1-4-25-23(30)21-20(15-9-7-14(8-10-15)13-27(5-2)6-3)22(31-26-21)16-11-17(24)19(29)12-18(16)28/h7-12,28-29H,4-6,13H2,1-3H3,(H,25,30)
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Fluorescence polarization {also known as fluorescence anisotropy} measures the rotation of a fluorescing species in solution, where the larger molecu...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM265140
PNG
(US9718793, 50)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCC(CO)CC2)cc1)-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C25H28ClN3O5/c1-2-27-25(33)23-22(24(34-28-23)18-11-19(26)21(32)12-20(18)31)17-5-3-15(4-6-17)13-29-9-7-16(14-30)8-10-29/h3-6,11-12,16,30-32H,2,7-10,13-14H2,1H3,(H,27,33)
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Fluorescence polarization {also known as fluorescence anisotropy} measures the rotation of a fluorescing species in solution, where the larger molecu...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM20905
PNG
(5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[4-(pip...)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCCCC2)cc1)-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C24H26ClN3O4/c1-2-26-24(31)22-21(23(32-27-22)17-12-18(25)20(30)13-19(17)29)16-8-6-15(7-9-16)14-28-10-4-3-5-11-28/h6-9,12-13,29-30H,2-5,10-11,14H2,1H3,(H,26,31)
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Fluorescence polarization {also known as fluorescence anisotropy} measures the rotation of a fluorescing species in solution, where the larger molecu...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM20907
PNG
(5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[4-(pyr...)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCCC2)cc1)-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C23H24ClN3O4/c1-2-25-23(30)21-20(15-7-5-14(6-8-15)13-27-9-3-4-10-27)22(31-26-21)16-11-17(24)19(29)12-18(16)28/h5-8,11-12,28-29H,2-4,9-10,13H2,1H3,(H,25,30)
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Fluorescence polarization {also known as fluorescence anisotropy} measures the rotation of a fluorescing species in solution, where the larger molecu...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM265158
PNG
(US9718793, 56)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCCCC2)cc1)-c1cc(CC)c(O)cc1O
Show InChI InChI=1S/C26H31N3O4/c1-3-18-14-20(22(31)15-21(18)30)25-23(24(28-33-25)26(32)27-4-2)19-10-8-17(9-11-19)16-29-12-6-5-7-13-29/h8-11,14-15,30-31H,3-7,12-13,16H2,1-2H3,(H,27,32)
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Fluorescence polarization {also known as fluorescence anisotropy} measures the rotation of a fluorescing species in solution, where the larger molecu...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM265161
PNG
(US9718793, 57)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCN(C)CC2)cc1)-c1cc(CC)c(O)cc1O
Show InChI InChI=1S/C26H32N4O4/c1-4-18-14-20(22(32)15-21(18)31)25-23(24(28-34-25)26(33)27-5-2)19-8-6-17(7-9-19)16-30-12-10-29(3)11-13-30/h6-9,14-15,31-32H,4-5,10-13,16H2,1-3H3,(H,27,33)
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Fluorescence polarization {also known as fluorescence anisotropy} measures the rotation of a fluorescing species in solution, where the larger molecu...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM265182
PNG
(US9718793, 64)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(F)c(CN2CCOCC2)c1)-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C23H23ClFN3O5/c1-2-26-23(31)21-20(22(33-27-21)15-10-16(24)19(30)11-18(15)29)13-3-4-17(25)14(9-13)12-28-5-7-32-8-6-28/h3-4,9-11,29-30H,2,5-8,12H2,1H3,(H,26,31)
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Fluorescence polarization {also known as fluorescence anisotropy} measures the rotation of a fluorescing species in solution, where the larger molecu...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM20905
PNG
(5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[4-(pip...)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCCCC2)cc1)-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C24H26ClN3O4/c1-2-26-24(31)22-21(23(32-27-22)17-12-18(25)20(30)13-19(17)29)16-8-6-15(7-9-16)14-28-10-4-3-5-11-28/h6-9,12-13,29-30H,2-5,10-11,14H2,1H3,(H,26,31)
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Fluorescence polarization {also known as fluorescence anisotropy} measures the rotation of a fluorescing species in solution, where the larger molecu...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM265218
PNG
(US9718793, 41n)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CO)cc1)-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C19H17ClN2O5/c1-2-21-19(26)17-16(11-5-3-10(9-23)4-6-11)18(27-22-17)12-7-13(20)15(25)8-14(12)24/h3-8,23-25H,2,9H2,1H3,(H,21,26)
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Fluorescence polarization {also known as fluorescence anisotropy} measures the rotation of a fluorescing species in solution, where the larger molecu...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM265221
PNG
(US9718793, 41p)
Show SMILES CC(C)NC(=O)c1noc(c1-c1ccc(CN2CCCCC2)cc1)-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C25H28ClN3O4/c1-15(2)27-25(32)23-22(24(33-28-23)18-12-19(26)21(31)13-20(18)30)17-8-6-16(7-9-17)14-29-10-4-3-5-11-29/h6-9,12-13,15,30-31H,3-5,10-11,14H2,1-2H3,(H,27,32)
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Fluorescence polarization {also known as fluorescence anisotropy} measures the rotation of a fluorescing species in solution, where the larger molecu...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM265239
PNG
(US9718793, 68)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(OC)cc1)-c1cc(CCc2ccccc2)c(O)cc1O
Show InChI InChI=1S/C27H26N2O5/c1-3-28-27(32)25-24(18-11-13-20(33-2)14-12-18)26(34-29-25)21-15-19(22(30)16-23(21)31)10-9-17-7-5-4-6-8-17/h4-8,11-16,30-31H,3,9-10H2,1-2H3,(H,28,32)
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Fluorescence polarization {also known as fluorescence anisotropy} measures the rotation of a fluorescing species in solution, where the larger molecu...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM265299
PNG
(US9718793, 75n)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCN(C)CC2)cc1)-c1cc(CCc2cccc(C)c2)c(O)cc1O
Show InChI InChI=1S/C33H38N4O4/c1-4-34-33(40)31-30(25-11-9-24(10-12-25)21-37-16-14-36(3)15-17-37)32(41-35-31)27-19-26(28(38)20-29(27)39)13-8-23-7-5-6-22(2)18-23/h5-7,9-12,18-20,38-39H,4,8,13-17,21H2,1-3H3,(H,34,40)
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM265314
PNG
(US9718793, 75t)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(C[NH+](CC)CC)cc1)-c1cc(c(O)cc1O)-c1ccccc1C
Show InChI InChI=1S/C30H33N3O4/c1-5-31-30(36)28-27(21-14-12-20(13-15-21)18-33(6-2)7-3)29(37-32-28)24-16-23(25(34)17-26(24)35)22-11-9-8-10-19(22)4/h8-17,34-35H,5-7,18H2,1-4H3,(H,31,36)/p+1
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM265338
PNG
(US9718793, 77d)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCN(C)CC2)cc1)-c1cc(c(O)cc1O)C(C)(C)C
Show InChI InChI=1S/C28H36N4O4/c1-6-29-27(35)25-24(19-9-7-18(8-10-19)17-32-13-11-31(5)12-14-32)26(36-30-25)20-15-21(28(2,3)4)23(34)16-22(20)33/h7-10,15-16,33-34H,6,11-14,17H2,1-5H3,(H,29,35)
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM20927
PNG
(4-{4-[(diethylamino)methyl]phenyl}-5-[2,4-dihydrox...)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN(CC)CC)cc1)-c1cc(C(C)C)c(O)cc1O
Show InChI InChI=1S/C26H33N3O4/c1-6-27-26(32)24-23(18-11-9-17(10-12-18)15-29(7-2)8-3)25(33-28-24)20-13-19(16(4)5)21(30)14-22(20)31/h9-14,16,30-31H,6-8,15H2,1-5H3,(H,27,32)
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM265047
PNG
(US9718793, 11)
Show SMILES CCc1cc(-c2oncc2-c2ccc(OC)c(OC)c2)c(O)cc1O
Show InChI InChI=1S/C19H19NO5/c1-4-11-7-13(16(22)9-15(11)21)19-14(10-20-25-19)12-5-6-17(23-2)18(8-12)24-3/h5-10,21-22H,4H2,1-3H3
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM265074
PNG
(US9718793, 20)
Show SMILES COC(c1ccccc1)c1cc(-c2onc(C)c2-c2ccc(OC)cc2)c(O)cc1O
Show InChI InChI=1S/C25H23NO5/c1-15-23(16-9-11-18(29-2)12-10-16)25(31-26-15)20-13-19(21(27)14-22(20)28)24(30-3)17-7-5-4-6-8-17/h4-14,24,27-28H,1-3H3
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM265098
PNG
(US9718793, 34)
Show SMILES CCNC(=O)c1noc(c1-c1cccnc1)-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C17H14ClN3O4/c1-2-20-17(24)15-14(9-4-3-5-19-8-9)16(25-21-15)10-6-11(18)13(23)7-12(10)22/h3-8,22-23H,2H2,1H3,(H,20,24)
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Fluorescence polarization {also known as fluorescence anisotropy} measures the rotation of a fluorescing species in solution, where the larger molecu...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM20901
PNG
(5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-(4-{[(2...)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CNCCS(C)(=O)=O)cc1)-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C22H24ClN3O6S/c1-3-25-22(29)20-19(21(32-26-20)15-10-16(23)18(28)11-17(15)27)14-6-4-13(5-7-14)12-24-8-9-33(2,30)31/h4-7,10-11,24,27-28H,3,8-9,12H2,1-2H3,(H,25,29)
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Fluorescence polarization {also known as fluorescence anisotropy} measures the rotation of a fluorescing species in solution, where the larger molecu...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM20909
PNG
(5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[3-(mor...)
Show SMILES CCNC(=O)c1noc(c1-c1cccc(CN2CCOCC2)c1)-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C23H24ClN3O5/c1-2-25-23(30)21-20(22(32-26-21)16-11-17(24)19(29)12-18(16)28)15-5-3-4-14(10-15)13-27-6-8-31-9-7-27/h3-5,10-12,28-29H,2,6-9,13H2,1H3,(H,25,30)
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Fluorescence polarization {also known as fluorescence anisotropy} measures the rotation of a fluorescing species in solution, where the larger molecu...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM265164
PNG
(US9718793, 58)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CNCc2cccnc2)cc1)-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C25H23ClN4O4/c1-2-29-25(33)23-22(24(34-30-23)18-10-19(26)21(32)11-20(18)31)17-7-5-15(6-8-17)12-28-14-16-4-3-9-27-13-16/h3-11,13,28,31-32H,2,12,14H2,1H3,(H,29,33)
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Fluorescence polarization {also known as fluorescence anisotropy} measures the rotation of a fluorescing species in solution, where the larger molecu...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM265230
PNG
(US9718793, 41s)
Show SMILES CCNC(=O)c1noc(c1-c1ccccc1CN1CCN(C)CC1)-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C24H27ClN4O4/c1-3-26-24(32)22-21(23(33-27-22)17-12-18(25)20(31)13-19(17)30)16-7-5-4-6-15(16)14-29-10-8-28(2)9-11-29/h4-7,12-13,30-31H,3,8-11,14H2,1-2H3,(H,26,32)
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Fluorescence polarization {also known as fluorescence anisotropy} measures the rotation of a fluorescing species in solution, where the larger molecu...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM265104
PNG
(US9718793, 36 | US9718793, 66)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(cc1)N1CCN(C)CC1)-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C23H25ClN4O4/c1-3-25-23(31)21-20(22(32-26-21)16-12-17(24)19(30)13-18(16)29)14-4-6-15(7-5-14)28-10-8-27(2)9-11-28/h4-7,12-13,29-30H,3,8-11H2,1-2H3,(H,25,31)
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Fluorescence polarization {also known as fluorescence anisotropy} measures the rotation of a fluorescing species in solution, where the larger molecu...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM265245
PNG
(US9718793, 70)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(C[NH+]2CCOCC2)cc1)-c1cc(CCc2ccc(F)cc2)c(O)cc1O
Show InChI InChI=1S/C31H32FN3O5/c1-2-33-31(38)29-28(22-8-4-21(5-9-22)19-35-13-15-39-16-14-35)30(40-34-29)25-17-23(26(36)18-27(25)37)10-3-20-6-11-24(32)12-7-20/h4-9,11-12,17-18,36-37H,2-3,10,13-16,19H2,1H3,(H,33,38)/p+1
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Fluorescence polarization {also known as fluorescence anisotropy} measures the rotation of a fluorescing species in solution, where the larger molecu...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM265260
PNG
(US9718793, 75)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(C[NH+]2CCOCC2)cc1)-c1cc(CCc2cccc(F)c2)c(O)cc1O
Show InChI InChI=1S/C31H32FN3O5/c1-2-33-31(38)29-28(22-9-7-21(8-10-22)19-35-12-14-39-15-13-35)30(40-34-29)25-17-23(26(36)18-27(25)37)11-6-20-4-3-5-24(32)16-20/h3-5,7-10,16-18,36-37H,2,6,11-15,19H2,1H3,(H,33,38)/p+1
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Fluorescence polarization {also known as fluorescence anisotropy} measures the rotation of a fluorescing species in solution, where the larger molecu...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM265317
PNG
(US9718793, 75u)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(c(O)cc1O)-c1ccccn1
Show InChI InChI=1S/C28H28N4O5/c1-2-29-28(35)26-25(19-8-6-18(7-9-19)17-32-11-13-36-14-12-32)27(37-31-26)21-15-20(23(33)16-24(21)34)22-5-3-4-10-30-22/h3-10,15-16,33-34H,2,11-14,17H2,1H3,(H,29,35)
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM265326
PNG
(US9718793, 76C)
Show SMILES CCNC(=O)c1onc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C23H24ClN3O5/c1-2-25-23(30)22-20(21(26-32-22)16-11-17(24)19(29)12-18(16)28)15-5-3-14(4-6-15)13-27-7-9-31-10-8-27/h3-6,11-12,28-29H,2,7-10,13H2,1H3,(H,25,30)
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM20928
PNG
(5-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-N-ethyl-4-...)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCCCC2)cc1)-c1cc(C(C)C)c(O)cc1O
Show InChI InChI=1S/C27H33N3O4/c1-4-28-27(33)25-24(19-10-8-18(9-11-19)16-30-12-6-5-7-13-30)26(34-29-25)21-14-20(17(2)3)22(31)15-23(21)32/h8-11,14-15,17,31-32H,4-7,12-13,16H2,1-3H3,(H,28,33)
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM265361
PNG
(US9718793, 78f)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CNCCCCNC(=O)CCCC2SC[C@@H]3NC(=O)N[C@H]23)cc1)-c1cc(C(C)C)c(O)cc1O
Show InChI InChI=1S/C35H46N6O6S/c1-4-37-34(45)32-30(33(47-41-32)24-16-23(20(2)3)26(42)17-27(24)43)22-12-10-21(11-13-22)18-36-14-5-6-15-38-29(44)9-7-8-28-31-25(19-48-28)39-35(46)40-31/h10-13,16-17,20,25,28,31,36,42-43H,4-9,14-15,18-19H2,1-3H3,(H,37,45)(H,38,44)(H2,39,40,46)/t25-,28?,31-/m0/s1
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM265422
PNG
(US9718793, 78ad)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CNCC(=O)NC(C)C)cc1)-c1cc(C(C)C)c(O)cc1O
Show InChI InChI=1S/C27H34N4O5/c1-6-29-27(35)25-24(18-9-7-17(8-10-18)13-28-14-23(34)30-16(4)5)26(36-31-25)20-11-19(15(2)3)21(32)12-22(20)33/h7-12,15-16,28,32-33H,6,13-14H2,1-5H3,(H,29,35)(H,30,34)
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM265440
PNG
(US9718793, 80)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCCCC2)cc1)-c1cc(CC(C)C)c(O)cc1O
Show InChI InChI=1S/C28H35N3O4/c1-4-29-28(34)26-25(20-10-8-19(9-11-20)17-31-12-6-5-7-13-31)27(35-30-26)22-15-21(14-18(2)3)23(32)16-24(22)33/h8-11,15-16,18,32-33H,4-7,12-14,17H2,1-3H3,(H,29,34)
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM265035
PNG
(US9718793, 7)
Show SMILES Oc1ccccc1-c1oncc1-c1ccc2OCCOc2c1
Show InChI InChI=1S/C17H13NO4/c19-14-4-2-1-3-12(14)17-13(10-18-22-17)11-5-6-15-16(9-11)21-8-7-20-15/h1-6,9-10,19H,7-8H2
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM32080
PNG
((4E)-3-hydroxy-5-methyl-4-[4-(1,3-thiazol-4-yl)-3-...)
Show SMILES Cc1cc(O)cc(O)c1-c1onc(c1-c1cscn1)C(F)(F)F
Show InChI InChI=1S/C14H9F3N2O3S/c1-6-2-7(20)3-9(21)10(6)12-11(8-4-23-5-18-8)13(19-22-12)14(15,16)17/h2-5,20-21H,1H3
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM265113
PNG
(US9718793, 40)
Show SMILES CCNCc1noc(c1-c1ccc(OC)cc1)-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C19H19ClN2O4/c1-3-21-10-15-18(11-4-6-12(25-2)7-5-11)19(26-22-15)13-8-14(20)17(24)9-16(13)23/h4-9,21,23-24H,3,10H2,1-2H3
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Fluorescence polarization {also known as fluorescence anisotropy} measures the rotation of a fluorescing species in solution, where the larger molecu...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM20903
PNG
(5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[4-(mor...)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C23H24ClN3O5/c1-2-25-23(30)21-20(22(32-26-21)16-11-17(24)19(29)12-18(16)28)15-5-3-14(4-6-15)13-27-7-9-31-10-8-27/h3-6,11-12,28-29H,2,7-10,13H2,1H3,(H,25,30)
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Fluorescence polarization {also known as fluorescence anisotropy} measures the rotation of a fluorescing species in solution, where the larger molecu...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM20902
PNG
(5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-{4-[(4-...)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCN(C)CC2)cc1)-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C24H27ClN4O4/c1-3-26-24(32)22-21(23(33-27-22)17-12-18(25)20(31)13-19(17)30)16-6-4-15(5-7-16)14-29-10-8-28(2)9-11-29/h4-7,12-13,30-31H,3,8-11,14H2,1-2H3,(H,26,32)
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Fluorescence polarization {also known as fluorescence anisotropy} measures the rotation of a fluorescing species in solution, where the larger molecu...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM20908
PNG
(5-(5-chloro-2,4-dihydroxyphenyl)-4-{4-[(dimethylam...)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN(C)C)cc1)-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C21H22ClN3O4/c1-4-23-21(28)19-18(13-7-5-12(6-8-13)11-25(2)3)20(29-24-19)14-9-15(22)17(27)10-16(14)26/h5-10,26-27H,4,11H2,1-3H3,(H,23,28)
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Fluorescence polarization {also known as fluorescence anisotropy} measures the rotation of a fluorescing species in solution, where the larger molecu...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM265224
PNG
(US9718793, 41q)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(OCCN(CC)CC)cc1)-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C24H28ClN3O5/c1-4-26-24(31)22-21(23(33-27-22)17-13-18(25)20(30)14-19(17)29)15-7-9-16(10-8-15)32-12-11-28(5-2)6-3/h7-10,13-14,29-30H,4-6,11-12H2,1-3H3,(H,26,31)
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Fluorescence polarization {also known as fluorescence anisotropy} measures the rotation of a fluorescing species in solution, where the larger molecu...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM265236
PNG
(US9718793, 67)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(F)cc1)-c1cc(c(O)cc1O)-c1ccccc1
Show InChI InChI=1S/C24H19FN2O4/c1-2-26-24(30)22-21(15-8-10-16(25)11-9-15)23(31-27-22)18-12-17(19(28)13-20(18)29)14-6-4-3-5-7-14/h3-13,28-29H,2H2,1H3,(H,26,30)
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Fluorescence polarization {also known as fluorescence anisotropy} measures the rotation of a fluorescing species in solution, where the larger molecu...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM265251
PNG
(US9718793, 72)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(C[NH+]2CCCCC2)cc1)-c1cc(c(O)cc1O)-c1ccc(F)cc1
Show InChI InChI=1S/C30H30FN3O4/c1-2-32-30(37)28-27(21-8-6-19(7-9-21)18-34-14-4-3-5-15-34)29(38-33-28)24-16-23(25(35)17-26(24)36)20-10-12-22(31)13-11-20/h6-13,16-17,35-36H,2-5,14-15,18H2,1H3,(H,32,37)/p+1
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Fluorescence polarization {also known as fluorescence anisotropy} measures the rotation of a fluorescing species in solution, where the larger molecu...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM265320
PNG
(US9718793, 75v)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCCCC2)cc1)-c1cc(-c2c(C)noc2C)c(O)cc1O
Show InChI InChI=1S/C29H32N4O5/c1-4-30-29(36)27-26(20-10-8-19(9-11-20)16-33-12-6-5-7-13-33)28(38-32-27)22-14-21(23(34)15-24(22)35)25-17(2)31-37-18(25)3/h8-11,14-15,34-35H,4-7,12-13,16H2,1-3H3,(H,30,36)
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM20925
PNG
(5-(5-tert-butyl-2,4-dihydroxyphenyl)-N-ethyl-4-[4-...)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCCCC2)cc1)-c1cc(c(O)cc1O)C(C)(C)C
Show InChI InChI=1S/C28H35N3O4/c1-5-29-27(34)25-24(19-11-9-18(10-12-19)17-31-13-7-6-8-14-31)26(35-30-25)20-15-21(28(2,3)4)23(33)16-22(20)32/h9-12,15-16,32-33H,5-8,13-14,17H2,1-4H3,(H,29,34)
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM265379
PNG
(US9718793, 78l)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CNC(C)(C)C)cc1)-c1cc(C(C)C)c(O)cc1O
Show InChI InChI=1S/C26H33N3O4/c1-7-27-25(32)23-22(17-10-8-16(9-11-17)14-28-26(4,5)6)24(33-29-23)19-12-18(15(2)3)20(30)13-21(19)31/h8-13,15,28,30-31H,7,14H2,1-6H3,(H,27,32)
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM265410
PNG
(US9718793, 78z)
Show SMILES CC(C)NC(=O)c1noc(c1-c1ccc(CNC(C)(C)C)cc1)-c1cc(C(C)C)c(O)cc1O
Show InChI InChI=1S/C27H35N3O4/c1-15(2)19-12-20(22(32)13-21(19)31)25-23(24(30-34-25)26(33)29-16(3)4)18-10-8-17(9-11-18)14-28-27(5,6)7/h8-13,15-16,28,31-32H,14H2,1-7H3,(H,29,33)
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM20900
PNG
(5-(5-chloro-2,4-dihydroxyphenyl)-4-{4-[(1,1-dioxo-...)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCS(=O)(=O)CC2)cc1)-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C23H24ClN3O6S/c1-2-25-23(30)21-20(22(33-26-21)16-11-17(24)19(29)12-18(16)28)15-5-3-14(4-6-15)13-27-7-9-34(31,32)10-8-27/h3-6,11-12,28-29H,2,7-10,13H2,1H3,(H,25,30)
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Fluorescence polarization {also known as fluorescence anisotropy} measures the rotation of a fluorescing species in solution, where the larger molecu...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM265122
PNG
(US9718793, 44)
Show SMILES CCNC(=O)c1noc(c1-c1cccc(c1)C(C)N1CCOCC1)-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C24H26ClN3O5/c1-3-26-24(31)22-21(23(33-27-22)17-12-18(25)20(30)13-19(17)29)16-6-4-5-15(11-16)14(2)28-7-9-32-10-8-28/h4-6,11-14,29-30H,3,7-10H2,1-2H3,(H,26,31)
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Fluorescence polarization {also known as fluorescence anisotropy} measures the rotation of a fluorescing species in solution, where the larger molecu...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM265179
PNG
(US9718793, 63)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(F)c(CN2CCN(CC2)C(C)=O)c1)-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C25H26ClFN4O5/c1-3-28-25(35)23-22(24(36-29-23)17-11-18(26)21(34)12-20(17)33)15-4-5-19(27)16(10-15)13-30-6-8-31(9-7-30)14(2)32/h4-5,10-12,33-34H,3,6-9,13H2,1-2H3,(H,28,35)
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Fluorescence polarization {also known as fluorescence anisotropy} measures the rotation of a fluorescing species in solution, where the larger molecu...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM265194
PNG
(US9718793, 41e)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(F)cc1F)-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C18H13ClF2N2O4/c1-2-22-18(26)16-15(9-4-3-8(20)5-12(9)21)17(27-23-16)10-6-11(19)14(25)7-13(10)24/h3-7,24-25H,2H2,1H3,(H,22,26)
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Fluorescence polarization {also known as fluorescence anisotropy} measures the rotation of a fluorescing species in solution, where the larger molecu...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM265200
PNG
(US9718793, 41g)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)c(F)c1)-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C23H23ClFN3O5/c1-2-26-23(31)21-20(22(33-27-21)15-10-16(24)19(30)11-18(15)29)13-3-4-14(17(25)9-13)12-28-5-7-32-8-6-28/h3-4,9-11,29-30H,2,5-8,12H2,1H3,(H,26,31)
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Fluorescence polarization {also known as fluorescence anisotropy} measures the rotation of a fluorescing species in solution, where the larger molecu...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM265203
PNG
(US9718793, 41h)
Show SMILES NC(=O)c1noc(c1-c1ccc(CN2CCCCC2)cc1)-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C22H22ClN3O4/c23-16-10-15(17(27)11-18(16)28)21-19(20(22(24)29)25-30-21)14-6-4-13(5-7-14)12-26-8-2-1-3-9-26/h4-7,10-11,27-28H,1-3,8-9,12H2,(H2,24,29)
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Fluorescence polarization {also known as fluorescence anisotropy} measures the rotation of a fluorescing species in solution, where the larger molecu...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM265212
PNG
(US9718793, 41k)
Show SMILES CCNC(=O)c1noc(c1-c1ccccc1CNCCN1CCOCC1)-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C25H29ClN4O5/c1-2-28-25(33)23-22(24(35-29-23)18-13-19(26)21(32)14-20(18)31)17-6-4-3-5-16(17)15-27-7-8-30-9-11-34-12-10-30/h3-6,13-14,27,31-32H,2,7-12,15H2,1H3,(H,28,33)
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Fluorescence polarization {also known as fluorescence anisotropy} measures the rotation of a fluorescing species in solution, where the larger molecu...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM265269
PNG
(US9718793, 75c)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(CCc2cccc(C)c2)c(O)cc1O
Show InChI InChI=1S/C32H35N3O5/c1-3-33-32(38)30-29(24-10-8-23(9-11-24)20-35-13-15-39-16-14-35)31(40-34-30)26-18-25(27(36)19-28(26)37)12-7-22-6-4-5-21(2)17-22/h4-6,8-11,17-19,36-37H,3,7,12-16,20H2,1-2H3,(H,33,38)
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM265290
PNG
(US9718793, 75i)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCCCC2)cc1)-c1cc(CCc2ccccc2)c(O)cc1O
Show InChI InChI=1S/C32H35N3O4/c1-2-33-32(38)30-29(24-14-12-23(13-15-24)21-35-17-7-4-8-18-35)31(39-34-30)26-19-25(27(36)20-28(26)37)16-11-22-9-5-3-6-10-22/h3,5-6,9-10,12-15,19-20,36-37H,2,4,7-8,11,16-18,21H2,1H3,(H,33,38)
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM265302
PNG
(US9718793, 75p)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN(CC)CC)cc1)-c1cc(c(O)cc1O)-c1ccccc1
Show InChI InChI=1S/C29H31N3O4/c1-4-30-29(35)27-26(21-14-12-19(13-15-21)18-32(5-2)6-3)28(36-31-27)23-16-22(24(33)17-25(23)34)20-10-8-7-9-11-20/h7-17,33-34H,4-6,18H2,1-3H3,(H,30,35)
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM265356
PNG
(US9718793, 78d)
Show SMILES CCNCc1ccc(cc1)-c1c(noc1-c1cc(C(C)C)c(O)cc1O)C(=O)NCC
Show InChI InChI=1S/C24H29N3O4/c1-5-25-13-15-7-9-16(10-8-15)21-22(24(30)26-6-2)27-31-23(21)18-11-17(14(3)4)19(28)12-20(18)29/h7-12,14,25,28-29H,5-6,13H2,1-4H3,(H,26,30)
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM265381
PNG
(US9718793, 78m)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CNCCOC)cc1)-c1cc(C(C)C)c(O)cc1O
Show InChI InChI=1S/C25H31N3O5/c1-5-27-25(31)23-22(17-8-6-16(7-9-17)14-26-10-11-32-4)24(33-28-23)19-12-18(15(2)3)20(29)13-21(19)30/h6-9,12-13,15,26,29-30H,5,10-11,14H2,1-4H3,(H,27,31)
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM265434
PNG
(US9718793, 78ah)
Show SMILES CCNC(=O)CNCc1ccc(cc1)-c1c(noc1-c1cc(C(C)C)c(O)cc1O)C(=O)NCC
Show InChI InChI=1S/C26H32N4O5/c1-5-28-22(33)14-27-13-16-7-9-17(10-8-16)23-24(26(34)29-6-2)30-35-25(23)19-11-18(15(3)4)20(31)12-21(19)32/h7-12,15,27,31-32H,5-6,13-14H2,1-4H3,(H,28,33)(H,29,34)
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n/an/a<1.00E+4n/an/an/an/an/an/a



Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM265068
PNG
(US9718793, 18)
Show SMILES COc1ccc(cc1)-c1c(C)noc1-c1cc(C(=S)Nc2ccccc2)c(O)cc1O
Show InChI InChI=1S/C24H20N2O4S/c1-14-22(15-8-10-17(29-2)11-9-15)23(30-26-14)18-12-19(21(28)13-20(18)27)24(31)25-16-6-4-3-5-7-16/h3-13,27-28H,1-2H3,(H,25,31)
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM265071
PNG
(US9718793, 19)
Show SMILES COc1ccc(cc1)-c1c(C)noc1-c1cc(C(=O)Nc2ccccc2OC)c(O)cc1O
Show InChI InChI=1S/C25H22N2O6/c1-14-23(15-8-10-16(31-2)11-9-15)24(33-27-14)17-12-18(21(29)13-20(17)28)25(30)26-19-6-4-5-7-22(19)32-3/h4-13,28-29H,1-3H3,(H,26,30)
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM265077
PNG
(US9718793, 21)
Show SMILES CCCCCc1noc(c1-c1ccc(OC)cc1)-c1ccc(O)cc1O
Show InChI InChI=1S/C21H23NO4/c1-3-4-5-6-18-20(14-7-10-16(25-2)11-8-14)21(26-22-18)17-12-9-15(23)13-19(17)24/h7-13,23-24H,3-6H2,1-2H3
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM265086
PNG
(US9718793, 27a)
Show SMILES CCNC(=O)c1noc(c1Br)-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C12H10BrClN2O4/c1-2-15-12(19)10-9(13)11(20-16-10)5-3-6(14)8(18)4-7(5)17/h3-4,17-18H,2H2,1H3,(H,15,19)
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Fluorescence polarization {also known as fluorescence anisotropy} measures the rotation of a fluorescing species in solution, where the larger molecu...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM265104
PNG
(US9718793, 36 | US9718793, 66)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(cc1)N1CCN(C)CC1)-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C23H25ClN4O4/c1-3-25-23(31)21-20(22(32-26-21)16-12-17(24)19(30)13-18(16)29)14-4-6-15(7-5-14)28-10-8-27(2)9-11-28/h4-7,12-13,29-30H,3,8-11H2,1-2H3,(H,25,31)
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Fluorescence polarization {also known as fluorescence anisotropy} measures the rotation of a fluorescing species in solution, where the larger molecu...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM20910
PNG
(5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-{3-[(4-...)
Show SMILES CCNC(=O)c1noc(c1-c1cccc(CN2CCN(C)CC2)c1)-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C24H27ClN4O4/c1-3-26-24(32)22-21(23(33-27-22)17-12-18(25)20(31)13-19(17)30)16-6-4-5-15(11-16)14-29-9-7-28(2)8-10-29/h4-6,11-13,30-31H,3,7-10,14H2,1-2H3,(H,26,32)
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Fluorescence polarization {also known as fluorescence anisotropy} measures the rotation of a fluorescing species in solution, where the larger molecu...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM20913
PNG
(Isoxazole, 40d | N-ethyl-5-(5-ethyl-2,4-dihydroxyp...)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(CC)c(O)cc1O
Show InChI InChI=1S/C25H29N3O5/c1-3-17-13-19(21(30)14-20(17)29)24-22(23(27-33-24)25(31)26-4-2)18-7-5-16(6-8-18)15-28-9-11-32-12-10-28/h5-8,13-14,29-30H,3-4,9-12,15H2,1-2H3,(H,26,31)
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Fluorescence polarization {also known as fluorescence anisotropy} measures the rotation of a fluorescing species in solution, where the larger molecu...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM265206
PNG
(US9718793, 41i)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCCCC2)cc1C)-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C25H28ClN3O4/c1-3-27-25(32)23-22(24(33-28-23)18-12-19(26)21(31)13-20(18)30)17-8-7-16(11-15(17)2)14-29-9-5-4-6-10-29/h7-8,11-13,30-31H,3-6,9-10,14H2,1-2H3,(H,27,32)
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Fluorescence polarization {also known as fluorescence anisotropy} measures the rotation of a fluorescing species in solution, where the larger molecu...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM265227
PNG
(US9718793, 41r)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCCCC2)c2ccccc12)-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C28H28ClN3O4/c1-2-30-28(35)26-25(27(36-31-26)21-14-22(29)24(34)15-23(21)33)20-11-10-17(16-32-12-6-3-7-13-32)18-8-4-5-9-19(18)20/h4-5,8-11,14-15,33-34H,2-3,6-7,12-13,16H2,1H3,(H,30,35)
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Fluorescence polarization {also known as fluorescence anisotropy} measures the rotation of a fluorescing species in solution, where the larger molecu...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM265263
PNG
(US9718793, 75a)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCCCC2)cc1)-c1cc(CCc2cccc(C)c2)c(O)cc1O
Show InChI InChI=1S/C33H37N3O4/c1-3-34-33(39)31-30(25-13-11-24(12-14-25)21-36-16-5-4-6-17-36)32(40-35-31)27-19-26(28(37)20-29(27)38)15-10-23-9-7-8-22(2)18-23/h7-9,11-14,18-20,37-38H,3-6,10,15-17,21H2,1-2H3,(H,34,39)
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM265287
PNG
(US9718793, 75h)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN(CC)CC)cc1)-c1cc(CCc2cccc(F)c2)c(O)cc1O
Show InChI InChI=1S/C31H34FN3O4/c1-4-33-31(38)29-28(22-13-11-21(12-14-22)19-35(5-2)6-3)30(39-34-29)25-17-23(26(36)18-27(25)37)15-10-20-8-7-9-24(32)16-20/h7-9,11-14,16-18,36-37H,4-6,10,15,19H2,1-3H3,(H,33,38)
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM265293
PNG
(US9718793, 75k)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCCC2)cc1)-c1cc(c(O)cc1O)-c1ccccc1F
Show InChI InChI=1S/C29H28FN3O4/c1-2-31-29(36)27-26(19-11-9-18(10-12-19)17-33-13-5-6-14-33)28(37-32-27)22-15-21(24(34)16-25(22)35)20-7-3-4-8-23(20)30/h3-4,7-12,15-16,34-35H,2,5-6,13-14,17H2,1H3,(H,31,36)
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM265341
PNG
(US9718793, 77e)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(F)cc1)-c1cc(c(O)cc1O)C(C)(C)C
Show InChI InChI=1S/C22H23FN2O4/c1-5-24-21(28)19-18(12-6-8-13(23)9-7-12)20(29-25-19)14-10-15(22(2,3)4)17(27)11-16(14)26/h6-11,26-27H,5H2,1-4H3,(H,24,28)
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM265344
PNG
(US9718793, 77f)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(OC)cc1)-c1cc(c(O)cc1O)C(C)(C)C
Show InChI InChI=1S/C23H26N2O5/c1-6-24-22(28)20-19(13-7-9-14(29-5)10-8-13)21(30-25-20)15-11-16(23(2,3)4)18(27)12-17(15)26/h7-12,26-27H,6H2,1-5H3,(H,24,28)
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM265353
PNG
(US9718793, 78c)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCN(C)CC2)cc1)-c1cc(C(C)C)c(O)cc1O
Show InChI InChI=1S/C27H34N4O4/c1-5-28-27(34)25-24(19-8-6-18(7-9-19)16-31-12-10-30(4)11-13-31)26(35-29-25)21-14-20(17(2)3)22(32)15-23(21)33/h6-9,14-15,17,32-33H,5,10-13,16H2,1-4H3,(H,28,34)
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM265373
PNG
(US9718793, 78j)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CNC2CCCC2)cc1)-c1cc(C(C)C)c(O)cc1O
Show InChI InChI=1S/C27H33N3O4/c1-4-28-27(33)25-24(18-11-9-17(10-12-18)15-29-19-7-5-6-8-19)26(34-30-25)21-13-20(16(2)3)22(31)14-23(21)32/h9-14,16,19,29,31-32H,4-8,15H2,1-3H3,(H,28,33)
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM265398
PNG
(US9718793, 78t)
Show SMILES CC(C)NC(=O)c1noc(c1-c1ccc(CN2CCN(C)CC2)cc1)-c1cc(C(C)C)c(O)cc1O
Show InChI InChI=1S/C28H36N4O4/c1-17(2)21-14-22(24(34)15-23(21)33)27-25(26(30-36-27)28(35)29-18(3)4)20-8-6-19(7-9-20)16-32-12-10-31(5)11-13-32/h6-9,14-15,17-18,33-34H,10-13,16H2,1-5H3,(H,29,35)
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM265431
PNG
(US9718793, 78ag)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CNCC(=O)N(C)C)cc1)-c1cc(C(C)C)c(O)cc1O
Show InChI InChI=1S/C26H32N4O5/c1-6-28-26(34)24-23(17-9-7-16(8-10-17)13-27-14-22(33)30(4)5)25(35-29-24)19-11-18(15(2)3)20(31)12-21(19)32/h7-12,15,27,31-32H,6,13-14H2,1-5H3,(H,28,34)
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM265038
PNG
(US9718793, 8)
Show SMILES COc1ccc(cc1OC)-c1cnoc1-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C17H14ClNO5/c1-22-15-4-3-9(5-16(15)23-2)11-8-19-24-17(11)10-6-12(18)14(21)7-13(10)20/h3-8,20-21H,1-2H3
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM265050
PNG
(US9718793, 12)
Show SMILES COc1ccc(cc1)-c1c(C)noc1-c1cc(c(O)cc1O)-c1cccnc1
Show InChI InChI=1S/C22H18N2O4/c1-13-21(14-5-7-16(27-2)8-6-14)22(28-24-13)18-10-17(19(25)11-20(18)26)15-4-3-9-23-12-15/h3-12,25-26H,1-2H3
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM265080
PNG
(US9718793, 26)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(cc1)N1CCNCC1)-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C22H23ClN4O4/c1-2-25-22(30)20-19(13-3-5-14(6-4-13)27-9-7-24-8-10-27)21(31-26-20)15-11-16(23)18(29)12-17(15)28/h3-6,11-12,24,28-29H,2,7-10H2,1H3,(H,25,30)
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Fluorescence polarization {also known as fluorescence anisotropy} measures the rotation of a fluorescing species in solution, where the larger molecu...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM265089
PNG
(US9718793, 30)
Show SMILES CC(=O)Nc1cccc(c1)-c1c(C)noc1-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C18H15ClN2O4/c1-9-17(11-4-3-5-12(6-11)20-10(2)22)18(25-21-9)13-7-14(19)16(24)8-15(13)23/h3-8,23-24H,1-2H3,(H,20,22)
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM265092
PNG
(US9718793, 32)
Show SMILES CCNC(=O)c1noc(c1-c1ccc2ccccc2c1)-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C22H17ClN2O4/c1-2-24-22(28)20-19(14-8-7-12-5-3-4-6-13(12)9-14)21(29-25-20)15-10-16(23)18(27)11-17(15)26/h3-11,26-27H,2H2,1H3,(H,24,28)
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Fluorescence polarization {also known as fluorescence anisotropy} measures the rotation of a fluorescing species in solution, where the larger molecu...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM265170
PNG
(US9718793, 60)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN(C)CCO)cc1)-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C22H24ClN3O5/c1-3-24-22(30)20-19(14-6-4-13(5-7-14)12-26(2)8-9-27)21(31-25-20)15-10-16(23)18(29)11-17(15)28/h4-7,10-11,27-29H,3,8-9,12H2,1-2H3,(H,24,30)
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Fluorescence polarization {also known as fluorescence anisotropy} measures the rotation of a fluorescing species in solution, where the larger molecu...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM20911
PNG
(5-(5-chloro-2,4-dihydroxyphenyl)-4-{3-[(4-acetylpi...)
Show SMILES CCNC(=O)c1noc(c1-c1cccc(CN2CCN(CC2)C(C)=O)c1)-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C25H27ClN4O5/c1-3-27-25(34)23-22(24(35-28-23)18-12-19(26)21(33)13-20(18)32)17-6-4-5-16(11-17)14-29-7-9-30(10-8-29)15(2)31/h4-6,11-13,32-33H,3,7-10,14H2,1-2H3,(H,27,34)
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Fluorescence polarization {also known as fluorescence anisotropy} measures the rotation of a fluorescing species in solution, where the larger molecu...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM265209
PNG
(US9718793, 41j)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1C)-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C24H26ClN3O5/c1-3-26-24(31)22-21(23(33-27-22)17-11-18(25)20(30)12-19(17)29)16-5-4-15(10-14(16)2)13-28-6-8-32-9-7-28/h4-5,10-12,29-30H,3,6-9,13H2,1-2H3,(H,26,31)
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Fluorescence polarization {also known as fluorescence anisotropy} measures the rotation of a fluorescing species in solution, where the larger molecu...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM265254
PNG
(US9718793, 73)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(C[NH+]2CCOCC2)cc1)-c1cc(c(O)cc1O)-c1ccc(F)cc1
Show InChI InChI=1S/C29H28FN3O5/c1-2-31-29(36)27-26(20-5-3-18(4-6-20)17-33-11-13-37-14-12-33)28(38-32-27)23-15-22(24(34)16-25(23)35)19-7-9-21(30)10-8-19/h3-10,15-16,34-35H,2,11-14,17H2,1H3,(H,31,36)/p+1
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Fluorescence polarization {also known as fluorescence anisotropy} measures the rotation of a fluorescing species in solution, where the larger molecu...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM20918
PNG
(5-(2,4-dihydroxy-5-phenylphenyl)-N-ethyl-4-[4-(mor...)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(c(O)cc1O)-c1ccccc1
Show InChI InChI=1S/C29H29N3O5/c1-2-30-29(35)27-26(21-10-8-19(9-11-21)18-32-12-14-36-15-13-32)28(37-31-27)23-16-22(24(33)17-25(23)34)20-6-4-3-5-7-20/h3-11,16-17,33-34H,2,12-15,18H2,1H3,(H,30,35)
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Fluorescence polarization {also known as fluorescence anisotropy} measures the rotation of a fluorescing species in solution, where the larger molecu...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM265272
PNG
(US9718793, 75d)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(C[NH+]2CCCCC2)cc1)-c1cc(c(O)cc1O)-c1ccccc1F
Show InChI InChI=1S/C30H30FN3O4/c1-2-32-30(37)28-27(20-12-10-19(11-13-20)18-34-14-6-3-7-15-34)29(38-33-28)23-16-22(25(35)17-26(23)36)21-8-4-5-9-24(21)31/h4-5,8-13,16-17,35-36H,2-3,6-7,14-15,18H2,1H3,(H,32,37)/p+1
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM265281
PNG
(US9718793, 75f)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(C[NH+]2CCOCC2)cc1)-c1cc(c(O)cc1O)-c1ccccc1F
Show InChI InChI=1S/C29H28FN3O5/c1-2-31-29(36)27-26(19-9-7-18(8-10-19)17-33-11-13-37-14-12-33)28(38-32-27)22-15-21(24(34)16-25(22)35)20-5-3-4-6-23(20)30/h3-10,15-16,34-35H,2,11-14,17H2,1H3,(H,31,36)/p+1
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM265284
PNG
(US9718793, 75g)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCN(C)CC2)cc1)-c1cc(c(O)cc1O)-c1ccccc1F
Show InChI InChI=1S/C30H31FN4O4/c1-3-32-30(38)28-27(20-10-8-19(9-11-20)18-35-14-12-34(2)13-15-35)29(39-33-28)23-16-22(25(36)17-26(23)37)21-6-4-5-7-24(21)31/h4-11,16-17,36-37H,3,12-15,18H2,1-2H3,(H,32,38)
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM20921
PNG
(5-[2,4-dihydroxy-5-(2-methylphenyl)phenyl]-N-ethyl...)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCCCC2)cc1)-c1cc(c(O)cc1O)-c1ccccc1C
Show InChI InChI=1S/C31H33N3O4/c1-3-32-31(37)29-28(22-13-11-21(12-14-22)19-34-15-7-4-8-16-34)30(38-33-29)25-17-24(26(35)18-27(25)36)23-10-6-5-9-20(23)2/h5-6,9-14,17-18,35-36H,3-4,7-8,15-16,19H2,1-2H3,(H,32,37)
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM265311
PNG
(US9718793, 75s)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCN(C)CC2)cc1)-c1cc(c(O)cc1O)-c1ccccc1C
Show InChI InChI=1S/C31H34N4O4/c1-4-32-31(38)29-28(22-11-9-21(10-12-22)19-35-15-13-34(3)14-16-35)30(39-33-29)25-17-24(26(36)18-27(25)37)23-8-6-5-7-20(23)2/h5-12,17-18,36-37H,4,13-16,19H2,1-3H3,(H,32,38)
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM20924
PNG
(5-(5-tert-butyl-2,4-dihydroxyphenyl)-N-ethyl-4-[4-...)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(c(O)cc1O)C(C)(C)C
Show InChI InChI=1S/C27H33N3O5/c1-5-28-26(33)24-23(18-8-6-17(7-9-18)16-30-10-12-34-13-11-30)25(35-29-24)19-14-20(27(2,3)4)22(32)15-21(19)31/h6-9,14-15,31-32H,5,10-13,16H2,1-4H3,(H,28,33)
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM265387
PNG
(US9718793, 78p)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCNCC2)cc1)-c1cc(C(C)C)c(O)cc1O
Show InChI InChI=1S/C26H32N4O4/c1-4-28-26(33)24-23(18-7-5-17(6-8-18)15-30-11-9-27-10-12-30)25(34-29-24)20-13-19(16(2)3)21(31)14-22(20)32/h5-8,13-14,16,27,31-32H,4,9-12,15H2,1-3H3,(H,28,33)
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM265392
PNG
(US9718793, 78r)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(C(C)C)c(OC(=O)N(C)C)cc1OC(=O)N(C)C
Show InChI InChI=1S/C32H41N5O7/c1-8-33-30(38)28-27(22-11-9-21(10-12-22)19-37-13-15-41-16-14-37)29(44-34-28)24-17-23(20(2)3)25(42-31(39)35(4)5)18-26(24)43-32(40)36(6)7/h9-12,17-18,20H,8,13-16,19H2,1-7H3,(H,33,38)
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM265364
PNG
(US9718793, 78g)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(C(C)C)c(OC(=O)NC(C)C)cc1OC(=O)NC(C)C
Show InChI InChI=1S/C34H45N5O7/c1-8-35-32(40)30-29(24-11-9-23(10-12-24)19-39-13-15-43-16-14-39)31(46-38-30)26-17-25(20(2)3)27(44-33(41)36-21(4)5)18-28(26)45-34(42)37-22(6)7/h9-12,17-18,20-22H,8,13-16,19H2,1-7H3,(H,35,40)(H,36,41)(H,37,42)
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM265437
PNG
(US9718793, 78ai)
Show SMILES CCNC(=O)Oc1cc(OC(=O)NCC)c(cc1C(C)C)-c1onc(C(=O)NCC)c1-c1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C32H41N5O7/c1-6-33-30(38)28-27(22-11-9-21(10-12-22)19-37-13-15-41-16-14-37)29(44-36-28)24-17-23(20(4)5)25(42-31(39)34-7-2)18-26(24)43-32(40)35-8-3/h9-12,17-18,20H,6-8,13-16,19H2,1-5H3,(H,33,38)(H,34,39)(H,35,40)
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...


US Patent US9718793 (2017)

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


(Homo sapiens (human))
BDBM265367
PNG
(US9718793, 78h)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(C(C)C)c(OC(C)=O)cc1OC(C)=O
Show InChI InChI=1S/C30H35N3O7/c1-6-31-30(36)28-27(22-9-7-21(8-10-22)17-33-11-13-37-14-12-33)29(40-32-28)24-15-23(18(2)3)25(38-19(4)34)16-26(24)39-20(5)35/h7-10,15-16,18H,6,11-14,17H2,1-5H3,(H,31,36)
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Vernalis (R&D) Ltd.; Cancer Research Technology Limited; The Institute of Cancer Research

US Patent


Assay Description
Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...


US Patent US9718793 (2017)

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Ligand-Target Pair
* indicates data uncertainty>20%