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Patent code US8835464

Compile Data Set for Download or QSAR
Found 53 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-beta


(Homo sapiens (Human))
BDBM131811
PNG
(US8835464, 13b | US9206162, 13b)
Show SMILES CC(C)c1cc(-c2nn(COC(=O)C(N)Cc3ccccc3)c(=O)n2-c2ccc3n(C)ccc3c2)c(O)cc1O
Show InChI InChI=1S/C30H31N5O5/c1-18(2)22-15-23(27(37)16-26(22)36)28-32-34(17-40-29(38)24(31)13-19-7-5-4-6-8-19)30(39)35(28)21-9-10-25-20(14-21)11-12-33(25)3/h4-12,14-16,18,24,36-37H,13,17,31H2,1-3H3
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n/an/a 27n/an/an/an/an/an/a



Synta Pharmaceuticals Corp.

US Patent


Assay Description
Hsp90 protein is obtained from Stressgen (Cat#SPP-770). Assay buffer: 100 mM Tris-HCl, Ph7.4, 20 mM KCl, 6 mM MgCl2. Malachite green (0.0812% w/v) (M...


US Patent US8835464 (2014)


BindingDB Entry DOI: 10.7270/Q2J38R7W
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-beta


(Homo sapiens (Human))
BDBM131810
PNG
(US8835464, 12b | US9206162, 12b)
Show SMILES CC(C)C(N)C(=O)OCn1nc(-c2cc(C(C)C)c(O)cc2O)n(-c2ccc3n(C)ccc3c2)c1=O
Show InChI InChI=1S/C26H31N5O5/c1-14(2)18-11-19(22(33)12-21(18)32)24-28-30(13-36-25(34)23(27)15(3)4)26(35)31(24)17-6-7-20-16(10-17)8-9-29(20)5/h6-12,14-15,23,32-33H,13,27H2,1-5H3
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n/an/a 29n/an/an/an/an/an/a



Synta Pharmaceuticals Corp.

US Patent


Assay Description
Hsp90 protein is obtained from Stressgen (Cat#SPP-770). Assay buffer: 100 mM Tris-HCl, Ph7.4, 20 mM KCl, 6 mM MgCl2. Malachite green (0.0812% w/v) (M...


US Patent US8835464 (2014)


BindingDB Entry DOI: 10.7270/Q2J38R7W
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-beta


(Homo sapiens (Human))
BDBM131817
PNG
(US8835464, 1d | US9206162, 1d)
Show SMILES COCCN(C)c1ccc(cn1)-n1c(O)nnc1-c1cc(C(C)C)c(O)cc1O
Show InChI InChI=1S/C20H25N5O4/c1-12(2)14-9-15(17(27)10-16(14)26)19-22-23-20(28)25(19)13-5-6-18(21-11-13)24(3)7-8-29-4/h5-6,9-12,26-27H,7-8H2,1-4H3,(H,23,28)
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n/an/a 30n/an/an/an/an/an/a



Synta Pharmaceuticals Corp.

US Patent


Assay Description
Hsp90 protein is obtained from Stressgen (Cat#SPP-770). Assay buffer: 100 mM Tris-HCl, Ph7.4, 20 mM KCl, 6 mM MgCl2. Malachite green (0.0812% w/v) (M...


US Patent US8835464 (2014)


BindingDB Entry DOI: 10.7270/Q2J38R7W
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-beta


(Homo sapiens (Human))
BDBM131812
PNG
(US8835464, 14b | US9206162, 14b)
Show SMILES CC(C)C(NC(=O)OC(C)(C)C)C(=O)OCn1nc(-c2cc(C(C)C)c(O)cc2O)n(-c2ccc3n(C)ccc3c2)c1=O
Show InChI InChI=1S/C31H39N5O7/c1-17(2)21-14-22(25(38)15-24(21)37)27-33-35(16-42-28(39)26(18(3)4)32-29(40)43-31(5,6)7)30(41)36(27)20-9-10-23-19(13-20)11-12-34(23)8/h9-15,17-18,26,37-38H,16H2,1-8H3,(H,32,40)
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n/an/a 38n/an/an/an/an/an/a



Synta Pharmaceuticals Corp.

US Patent


Assay Description
Hsp90 protein is obtained from Stressgen (Cat#SPP-770). Assay buffer: 100 mM Tris-HCl, Ph7.4, 20 mM KCl, 6 mM MgCl2. Malachite green (0.0812% w/v) (M...


US Patent US8835464 (2014)


BindingDB Entry DOI: 10.7270/Q2J38R7W
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-beta


(Homo sapiens (Human))
BDBM131807
PNG
(BDBM194680 | US8835464, 9b)
Show SMILES CC(C)c1cc(-c2nnc(O)n2-c2ccc3n(ccc3c2)C(C)=O)c(O)cc1O
Show InChI InChI=1S/C21H20N4O4/c1-11(2)15-9-16(19(28)10-18(15)27)20-22-23-21(29)25(20)14-4-5-17-13(8-14)6-7-24(17)12(3)26/h4-11,27-28H,1-3H3,(H,23,29)
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n/an/a 40n/an/an/an/an/an/a



Synta Pharmaceuticals Corp.

US Patent


Assay Description
Hsp90 protein is obtained from Stressgen (Cat#SPP-770). Assay buffer: 100 mM Tris-HCl, Ph7.4, 20 mM KCl, 6 mM MgCl2. Malachite green (0.0812% w/v) (M...


US Patent US8835464 (2014)


BindingDB Entry DOI: 10.7270/Q2J38R7W
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-beta


(Homo sapiens (Human))
BDBM131815
PNG
(US8835464, 17b | US9206162, 17b)
Show SMILES CC(C)c1cc(-c2nn(C(=O)C(N)Cc3ccccc3)c(=O)n2-c2ccc3n(C)ccc3c2)c(OC(=O)C(N)Cc2ccccc2)cc1OC(=O)C(N)Cc1ccccc1
Show InChI InChI=1S/C47H47N7O6/c1-29(2)35-27-36(42(60-46(57)39(50)25-32-17-11-6-12-18-32)28-41(35)59-45(56)38(49)24-31-15-9-5-10-16-31)43-51-54(44(55)37(48)23-30-13-7-4-8-14-30)47(58)53(43)34-19-20-40-33(26-34)21-22-52(40)3/h4-22,26-29,37-39H,23-25,48-50H2,1-3H3
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n/an/a 46n/an/an/an/an/an/a



Synta Pharmaceuticals Corp.

US Patent


Assay Description
Hsp90 protein is obtained from Stressgen (Cat#SPP-770). Assay buffer: 100 mM Tris-HCl, Ph7.4, 20 mM KCl, 6 mM MgCl2. Malachite green (0.0812% w/v) (M...


US Patent US8835464 (2014)


BindingDB Entry DOI: 10.7270/Q2J38R7W
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-beta


(Homo sapiens (Human))
BDBM131822
PNG
(US8835464, 6d | US8835464, 7d | US9206162, 7d)
Show SMILES CC(C)c1cc(-c2nnc(O)n2-c2ccc(nc2)N(C)C)c(O)cc1O
Show InChI InChI=1S/C18H21N5O3/c1-10(2)12-7-13(15(25)8-14(12)24)17-20-21-18(26)23(17)11-5-6-16(19-9-11)22(3)4/h5-10,24-25H,1-4H3,(H,21,26)
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n/an/a 47n/an/an/an/an/an/a



Synta Pharmaceuticals Corp.

US Patent


Assay Description
Hsp90 protein is obtained from Stressgen (Cat#SPP-770). Assay buffer: 100 mM Tris-HCl, Ph7.4, 20 mM KCl, 6 mM MgCl2. Malachite green (0.0812% w/v) (M...


US Patent US8835464 (2014)


BindingDB Entry DOI: 10.7270/Q2J38R7W
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-beta


(Homo sapiens (Human))
BDBM131833
PNG
(US8835464, 19d | US9206162, 19d)
Show SMILES CC(C)c1cc(-c2nnc(O)n2-c2ccc(nc2)N2CCOCC2)c(O)cc1O
Show InChI InChI=1S/C20H23N5O4/c1-12(2)14-9-15(17(27)10-16(14)26)19-22-23-20(28)25(19)13-3-4-18(21-11-13)24-5-7-29-8-6-24/h3-4,9-12,26-27H,5-8H2,1-2H3,(H,23,28)
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n/an/a 49n/an/an/an/an/an/a



Synta Pharmaceuticals Corp.

US Patent


Assay Description
Hsp90 protein is obtained from Stressgen (Cat#SPP-770). Assay buffer: 100 mM Tris-HCl, Ph7.4, 20 mM KCl, 6 mM MgCl2. Malachite green (0.0812% w/v) (M...


US Patent US8835464 (2014)


BindingDB Entry DOI: 10.7270/Q2J38R7W
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-beta


(Homo sapiens (Human))
BDBM131814
PNG
(US8835464, 16b | US9206162, 16b)
Show SMILES CC(N)C(=O)Oc1cc(OC(=O)C(C)N)c(cc1C(C)C)-c1nn(C(=O)C(C)N)c(=O)n1-c1ccc2n(C)ccc2c1
Show InChI InChI=1S/C29H35N7O6/c1-14(2)20-12-21(24(42-28(39)17(5)32)13-23(20)41-27(38)16(4)31)25-33-36(26(37)15(3)30)29(40)35(25)19-7-8-22-18(11-19)9-10-34(22)6/h7-17H,30-32H2,1-6H3
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n/an/a 56n/an/an/an/an/an/a



Synta Pharmaceuticals Corp.

US Patent


Assay Description
Hsp90 protein is obtained from Stressgen (Cat#SPP-770). Assay buffer: 100 mM Tris-HCl, Ph7.4, 20 mM KCl, 6 mM MgCl2. Malachite green (0.0812% w/v) (M...


US Patent US8835464 (2014)


BindingDB Entry DOI: 10.7270/Q2J38R7W
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-beta


(Homo sapiens (Human))
BDBM131806
PNG
(BDBM194677 | US8835464, 7b)
Show SMILES CC(C)c1cc(-c2nnc(SSc3nnc(-c4cc(C(C)C)c(O)cc4O)n3-c3ccc(cc3)N(C)C)n2-c2ccc(cc2)N(C)C)c(O)cc1O
Show InChI InChI=1S/C38H42N8O4S2/c1-21(2)27-17-29(33(49)19-31(27)47)35-39-41-37(45(35)25-13-9-23(10-14-25)43(5)6)51-52-38-42-40-36(30-18-28(22(3)4)32(48)20-34(30)50)46(38)26-15-11-24(12-16-26)44(7)8/h9-22,47-50H,1-8H3
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n/an/a 58n/an/an/an/an/an/a



Synta Pharmaceuticals Corp.

US Patent


Assay Description
Hsp90 protein is obtained from Stressgen (Cat#SPP-770). Assay buffer: 100 mM Tris-HCl, Ph7.4, 20 mM KCl, 6 mM MgCl2. Malachite green (0.0812% w/v) (M...


US Patent US8835464 (2014)


BindingDB Entry DOI: 10.7270/Q2J38R7W
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-beta


(Homo sapiens (Human))
BDBM131822
PNG
(US8835464, 6d | US8835464, 7d | US9206162, 7d)
Show SMILES CC(C)c1cc(-c2nnc(O)n2-c2ccc(nc2)N(C)C)c(O)cc1O
Show InChI InChI=1S/C18H21N5O3/c1-10(2)12-7-13(15(25)8-14(12)24)17-20-21-18(26)23(17)11-5-6-16(19-9-11)22(3)4/h5-10,24-25H,1-4H3,(H,21,26)
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n/an/a 58n/an/an/an/an/an/a



Synta Pharmaceuticals Corp.

US Patent


Assay Description
Hsp90 protein is obtained from Stressgen (Cat#SPP-770). Assay buffer: 100 mM Tris-HCl, Ph7.4, 20 mM KCl, 6 mM MgCl2. Malachite green (0.0812% w/v) (M...


US Patent US8835464 (2014)


BindingDB Entry DOI: 10.7270/Q2J38R7W
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-beta


(Homo sapiens (Human))
BDBM131813
PNG
(US8835464, 15b | US9206162, 15b)
Show SMILES CC(C)c1cc(-c2nn(C(=O)CN)c(=O)n2-c2ccc3n(C)ccc3c2)c(OC(=O)CN)cc1OC(=O)CN
Show InChI InChI=1S/C26H29N7O6/c1-14(2)17-9-18(21(39-24(36)13-29)10-20(17)38-23(35)12-28)25-30-33(22(34)11-27)26(37)32(25)16-4-5-19-15(8-16)6-7-31(19)3/h4-10,14H,11-13,27-29H2,1-3H3
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n/an/a 79n/an/an/an/an/an/a



Synta Pharmaceuticals Corp.

US Patent


Assay Description
Hsp90 protein is obtained from Stressgen (Cat#SPP-770). Assay buffer: 100 mM Tris-HCl, Ph7.4, 20 mM KCl, 6 mM MgCl2. Malachite green (0.0812% w/v) (M...


US Patent US8835464 (2014)


BindingDB Entry DOI: 10.7270/Q2J38R7W
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-beta


(Homo sapiens (Human))
BDBM131832
PNG
(US8835464, 17d | US9206162, 17d)
Show SMILES CC(C)c1cc(-c2nnc(O)n2-c2ccc(cc2)N(C)S(C)(=O)=O)c(O)cc1O
Show InChI InChI=1S/C19H22N4O5S/c1-11(2)14-9-15(17(25)10-16(14)24)18-20-21-19(26)23(18)13-7-5-12(6-8-13)22(3)29(4,27)28/h5-11,24-25H,1-4H3,(H,21,26)
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n/an/a 85n/an/an/an/an/an/a



Synta Pharmaceuticals Corp.

US Patent


Assay Description
Hsp90 protein is obtained from Stressgen (Cat#SPP-770). Assay buffer: 100 mM Tris-HCl, Ph7.4, 20 mM KCl, 6 mM MgCl2. Malachite green (0.0812% w/v) (M...


US Patent US8835464 (2014)


BindingDB Entry DOI: 10.7270/Q2J38R7W
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-beta


(Homo sapiens (Human))
BDBM131827
PNG
(US8835464, 11d | US9206162, 11d)
Show SMILES CC(C)c1cc(-c2nnc(O)n2-c2ccc(C)c(c2)S(=O)(=O)N(C)C)c(O)cc1O
Show InChI InChI=1S/C20H24N4O5S/c1-11(2)14-9-15(17(26)10-16(14)25)19-21-22-20(27)24(19)13-7-6-12(3)18(8-13)30(28,29)23(4)5/h6-11,25-26H,1-5H3,(H,22,27)
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n/an/a 93n/an/an/an/an/an/a



Synta Pharmaceuticals Corp.

US Patent


Assay Description
Hsp90 protein is obtained from Stressgen (Cat#SPP-770). Assay buffer: 100 mM Tris-HCl, Ph7.4, 20 mM KCl, 6 mM MgCl2. Malachite green (0.0812% w/v) (M...


US Patent US8835464 (2014)


BindingDB Entry DOI: 10.7270/Q2J38R7W
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-beta


(Homo sapiens (Human))
BDBM131809
PNG
(BDBM194684 | US8835464, 11b)
Show SMILES COCCC(=O)n1ccc2cc(ccc12)-n1c(O)nnc1-c1cc(C(C)C)c(O)cc1O
Show InChI InChI=1S/C23H24N4O5/c1-13(2)16-11-17(20(29)12-19(16)28)22-24-25-23(31)27(22)15-4-5-18-14(10-15)6-8-26(18)21(30)7-9-32-3/h4-6,8,10-13,28-29H,7,9H2,1-3H3,(H,25,31)
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n/an/a 100n/an/an/an/an/an/a



Synta Pharmaceuticals Corp.

US Patent


Assay Description
Hsp90 protein is obtained from Stressgen (Cat#SPP-770). Assay buffer: 100 mM Tris-HCl, Ph7.4, 20 mM KCl, 6 mM MgCl2. Malachite green (0.0812% w/v) (M...


US Patent US8835464 (2014)


BindingDB Entry DOI: 10.7270/Q2J38R7W
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-beta


(Homo sapiens (Human))
BDBM131816
PNG
(US8835464, 18b | US9206162, 18b)
Show SMILES COCCC(=O)Oc1nnc(-c2cc(C(C)C)c(OC(=O)CCOC)cc2O)n1-c1ccc2n(C)ccc2c1
Show InChI InChI=1S/C28H32N4O7/c1-17(2)20-15-21(23(33)16-24(20)38-25(34)9-12-36-4)27-29-30-28(39-26(35)10-13-37-5)32(27)19-6-7-22-18(14-19)8-11-31(22)3/h6-8,11,14-17,33H,9-10,12-13H2,1-5H3
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n/an/a<100n/an/an/an/an/an/a



Synta Pharmaceuticals Corp.

US Patent


Assay Description
Hsp90 protein is obtained from Stressgen (Cat#SPP-770). Assay buffer: 100 mM Tris-HCl, Ph7.4, 20 mM KCl, 6 mM MgCl2. Malachite green (0.0812% w/v) (M...


US Patent US8835464 (2014)


BindingDB Entry DOI: 10.7270/Q2J38R7W
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-beta


(Homo sapiens (Human))
BDBM131818
PNG
(US8835464, 2d | US9206162, 2d)
Show SMILES COC(CN(C)c1ccc(cn1)-n1c(O)nnc1-c1cc(C(C)C)c(O)cc1O)OC
Show InChI InChI=1S/C21H27N5O5/c1-12(2)14-8-15(17(28)9-16(14)27)20-23-24-21(29)26(20)13-6-7-18(22-10-13)25(3)11-19(30-4)31-5/h6-10,12,19,27-28H,11H2,1-5H3,(H,24,29)
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n/an/a 107n/an/an/an/an/an/a



Synta Pharmaceuticals Corp.

US Patent


Assay Description
Hsp90 protein is obtained from Stressgen (Cat#SPP-770). Assay buffer: 100 mM Tris-HCl, Ph7.4, 20 mM KCl, 6 mM MgCl2. Malachite green (0.0812% w/v) (M...


US Patent US8835464 (2014)


BindingDB Entry DOI: 10.7270/Q2J38R7W
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-beta


(Homo sapiens (Human))
BDBM131808
PNG
(BDBM194682 | US8835464, 10b)
Show SMILES CC(C)c1cc(-c2nnc(O)n2-c2ccc3n(ccc3c2)C(=O)CCNC(=O)OC(C)(C)C)c(O)cc1O
Show InChI InChI=1S/C27H31N5O6/c1-15(2)18-13-19(22(34)14-21(18)33)24-29-30-25(36)32(24)17-6-7-20-16(12-17)9-11-31(20)23(35)8-10-28-26(37)38-27(3,4)5/h6-7,9,11-15,33-34H,8,10H2,1-5H3,(H,28,37)(H,30,36)
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n/an/a 110n/an/an/an/an/an/a



Synta Pharmaceuticals Corp.

US Patent


Assay Description
Hsp90 protein is obtained from Stressgen (Cat#SPP-770). Assay buffer: 100 mM Tris-HCl, Ph7.4, 20 mM KCl, 6 mM MgCl2. Malachite green (0.0812% w/v) (M...


US Patent US8835464 (2014)


BindingDB Entry DOI: 10.7270/Q2J38R7W
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-beta


(Homo sapiens (Human))
BDBM131834
PNG
(US8835464, 20d | US9206162, 20d)
Show SMILES CC(C)c1cc(-c2nnc(O)n2-c2ccc(OCCN3CCOCC3)nc2)c(O)cc1O
Show InChI InChI=1S/C22H27N5O5/c1-14(2)16-11-17(19(29)12-18(16)28)21-24-25-22(30)27(21)15-3-4-20(23-13-15)32-10-7-26-5-8-31-9-6-26/h3-4,11-14,28-29H,5-10H2,1-2H3,(H,25,30)
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n/an/a 114n/an/an/an/an/an/a



Synta Pharmaceuticals Corp.

US Patent


Assay Description
Hsp90 protein is obtained from Stressgen (Cat#SPP-770). Assay buffer: 100 mM Tris-HCl, Ph7.4, 20 mM KCl, 6 mM MgCl2. Malachite green (0.0812% w/v) (M...


US Patent US8835464 (2014)


BindingDB Entry DOI: 10.7270/Q2J38R7W
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-beta


(Homo sapiens (Human))
BDBM131819
PNG
(US8835464, 3d | US9206162, 3d)
Show SMILES COCCN(C)c1ccc(c[n+]1[O-])-n1c(O)nnc1-c1cc(C(C)C)c(O)cc1O
Show InChI InChI=1S/C20H25N5O5/c1-12(2)14-9-15(17(27)10-16(14)26)19-21-22-20(28)25(19)13-5-6-18(24(29)11-13)23(3)7-8-30-4/h5-6,9-12,26-27H,7-8H2,1-4H3,(H,22,28)
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n/an/a 180n/an/an/an/an/an/a



Synta Pharmaceuticals Corp.

US Patent


Assay Description
Hsp90 protein is obtained from Stressgen (Cat#SPP-770). Assay buffer: 100 mM Tris-HCl, Ph7.4, 20 mM KCl, 6 mM MgCl2. Malachite green (0.0812% w/v) (M...


US Patent US8835464 (2014)


BindingDB Entry DOI: 10.7270/Q2J38R7W
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-beta


(Homo sapiens (Human))
BDBM131828
PNG
(US8835464, 12d | US8835464, 13d | US9206162, 13d)
Show SMILES CC(C)c1cc(-c2nnc(O)n2-c2ccc(N(C)C)c(c2)S(N)(=O)=O)c(O)cc1O
Show InChI InChI=1S/C19H23N5O5S/c1-10(2)12-8-13(16(26)9-15(12)25)18-21-22-19(27)24(18)11-5-6-14(23(3)4)17(7-11)30(20,28)29/h5-10,25-26H,1-4H3,(H,22,27)(H2,20,28,29)
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n/an/a 207n/an/an/an/an/an/a



Synta Pharmaceuticals Corp.

US Patent


Assay Description
Hsp90 protein is obtained from Stressgen (Cat#SPP-770). Assay buffer: 100 mM Tris-HCl, Ph7.4, 20 mM KCl, 6 mM MgCl2. Malachite green (0.0812% w/v) (M...


US Patent US8835464 (2014)


BindingDB Entry DOI: 10.7270/Q2J38R7W
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-beta


(Homo sapiens (Human))
BDBM131824
PNG
(US8835464, 8d | US8835464, 9d | US9206162, 9d)
Show SMILES CC(C)c1cc(-c2nnc(O)n2-c2ccc(nc2)N2CCN(C)CC2)c(O)cc1O
Show InChI InChI=1S/C21H26N6O3/c1-13(2)15-10-16(18(29)11-17(15)28)20-23-24-21(30)27(20)14-4-5-19(22-12-14)26-8-6-25(3)7-9-26/h4-5,10-13,28-29H,6-9H2,1-3H3,(H,24,30)
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n/an/a 220n/an/an/an/an/an/a



Synta Pharmaceuticals Corp.

US Patent


Assay Description
Hsp90 protein is obtained from Stressgen (Cat#SPP-770). Assay buffer: 100 mM Tris-HCl, Ph7.4, 20 mM KCl, 6 mM MgCl2. Malachite green (0.0812% w/v) (M...


US Patent US8835464 (2014)


BindingDB Entry DOI: 10.7270/Q2J38R7W
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-beta


(Homo sapiens (Human))
BDBM131821
PNG
(US8835464, 5d | US9206162, 5d)
Show SMILES CC(C)c1cc(-c2nnc(O)n2-c2ccc(nc2)N(C)CCN(C)C)c(O)cc1O
Show InChI InChI=1S/C21H28N6O3/c1-13(2)15-10-16(18(29)11-17(15)28)20-23-24-21(30)27(20)14-6-7-19(22-12-14)26(5)9-8-25(3)4/h6-7,10-13,28-29H,8-9H2,1-5H3,(H,24,30)
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n/an/a 220n/an/an/an/an/an/a



Synta Pharmaceuticals Corp.

US Patent


Assay Description
Hsp90 protein is obtained from Stressgen (Cat#SPP-770). Assay buffer: 100 mM Tris-HCl, Ph7.4, 20 mM KCl, 6 mM MgCl2. Malachite green (0.0812% w/v) (M...


US Patent US8835464 (2014)


BindingDB Entry DOI: 10.7270/Q2J38R7W
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-beta


(Homo sapiens (Human))
BDBM131824
PNG
(US8835464, 8d | US8835464, 9d | US9206162, 9d)
Show SMILES CC(C)c1cc(-c2nnc(O)n2-c2ccc(nc2)N2CCN(C)CC2)c(O)cc1O
Show InChI InChI=1S/C21H26N6O3/c1-13(2)15-10-16(18(29)11-17(15)28)20-23-24-21(30)27(20)14-4-5-19(22-12-14)26-8-6-25(3)7-9-26/h4-5,10-13,28-29H,6-9H2,1-3H3,(H,24,30)
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n/an/a 243n/an/an/an/an/an/a



Synta Pharmaceuticals Corp.

US Patent


Assay Description
Hsp90 protein is obtained from Stressgen (Cat#SPP-770). Assay buffer: 100 mM Tris-HCl, Ph7.4, 20 mM KCl, 6 mM MgCl2. Malachite green (0.0812% w/v) (M...


US Patent US8835464 (2014)


BindingDB Entry DOI: 10.7270/Q2J38R7W
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-beta


(Homo sapiens (Human))
BDBM131831
PNG
(US8835464, 15d | US9206162, 15d)
Show SMILES CC(C)c1cc(-c2nnc(O)n2-c2cccc(c2)S(=O)(=O)N2CCOCC2)c(O)cc1O
Show InChI InChI=1S/C21H24N4O6S/c1-13(2)16-11-17(19(27)12-18(16)26)20-22-23-21(28)25(20)14-4-3-5-15(10-14)32(29,30)24-6-8-31-9-7-24/h3-5,10-13,26-27H,6-9H2,1-2H3,(H,23,28)
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n/an/a 330n/an/an/an/an/an/a



Synta Pharmaceuticals Corp.

US Patent


Assay Description
Hsp90 protein is obtained from Stressgen (Cat#SPP-770). Assay buffer: 100 mM Tris-HCl, Ph7.4, 20 mM KCl, 6 mM MgCl2. Malachite green (0.0812% w/v) (M...


US Patent US8835464 (2014)


BindingDB Entry DOI: 10.7270/Q2J38R7W
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-beta


(Homo sapiens (Human))
BDBM131826
PNG
(US8835464, 10d | US9206162, 10d)
Show SMILES CC(C)c1cc(-c2nnc(O)n2-c2cccc(c2)S(=O)(=O)N(C)CCN(C)C)c(O)cc1O
Show InChI InChI=1S/C22H29N5O5S/c1-14(2)17-12-18(20(29)13-19(17)28)21-23-24-22(30)27(21)15-7-6-8-16(11-15)33(31,32)26(5)10-9-25(3)4/h6-8,11-14,28-29H,9-10H2,1-5H3,(H,24,30)
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n/an/a>330n/an/an/an/an/an/a



Synta Pharmaceuticals Corp.

US Patent


Assay Description
Hsp90 protein is obtained from Stressgen (Cat#SPP-770). Assay buffer: 100 mM Tris-HCl, Ph7.4, 20 mM KCl, 6 mM MgCl2. Malachite green (0.0812% w/v) (M...


US Patent US8835464 (2014)


BindingDB Entry DOI: 10.7270/Q2J38R7W
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-beta


(Homo sapiens (Human))
BDBM131820
PNG
(US8835464, 4d | US9206162, 4d)
Show SMILES CC(C)c1cc(-c2nnc(O)n2-c2ccc(nc2)N(C)CC(O)=O)c(O)cc1O
Show InChI InChI=1S/C19H21N5O5/c1-10(2)12-6-13(15(26)7-14(12)25)18-21-22-19(29)24(18)11-4-5-16(20-8-11)23(3)9-17(27)28/h4-8,10,25-26H,9H2,1-3H3,(H,22,29)(H,27,28)
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n/an/a 330n/an/an/an/an/an/a



Synta Pharmaceuticals Corp.

US Patent


Assay Description
Hsp90 protein is obtained from Stressgen (Cat#SPP-770). Assay buffer: 100 mM Tris-HCl, Ph7.4, 20 mM KCl, 6 mM MgCl2. Malachite green (0.0812% w/v) (M...


US Patent US8835464 (2014)


BindingDB Entry DOI: 10.7270/Q2J38R7W
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-beta


(Homo sapiens (Human))
BDBM131828
PNG
(US8835464, 12d | US8835464, 13d | US9206162, 13d)
Show SMILES CC(C)c1cc(-c2nnc(O)n2-c2ccc(N(C)C)c(c2)S(N)(=O)=O)c(O)cc1O
Show InChI InChI=1S/C19H23N5O5S/c1-10(2)12-8-13(16(26)9-15(12)25)18-21-22-19(27)24(18)11-5-6-14(23(3)4)17(7-11)30(20,28)29/h5-10,25-26H,1-4H3,(H,22,27)(H2,20,28,29)
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n/an/a 336n/an/an/an/an/an/a



Synta Pharmaceuticals Corp.

US Patent


Assay Description
Hsp90 protein is obtained from Stressgen (Cat#SPP-770). Assay buffer: 100 mM Tris-HCl, Ph7.4, 20 mM KCl, 6 mM MgCl2. Malachite green (0.0812% w/v) (M...


US Patent US8835464 (2014)


BindingDB Entry DOI: 10.7270/Q2J38R7W
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-beta


(Homo sapiens (Human))
BDBM131830
PNG
(US8835464, 14d | US9206162, 14d)
Show SMILES CC(C)c1cc(-c2nnc(S)n2-c2cccc(c2)S(N)(=O)=O)c(O)cc1O
Show InChI InChI=1S/C17H18N4O4S2/c1-9(2)12-7-13(15(23)8-14(12)22)16-19-20-17(26)21(16)10-4-3-5-11(6-10)27(18,24)25/h3-9,22-23H,1-2H3,(H,20,26)(H2,18,24,25)
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n/an/a 336n/an/an/an/an/an/a



Synta Pharmaceuticals Corp.

US Patent


Assay Description
Hsp90 protein is obtained from Stressgen (Cat#SPP-770). Assay buffer: 100 mM Tris-HCl, Ph7.4, 20 mM KCl, 6 mM MgCl2. Malachite green (0.0812% w/v) (M...


US Patent US8835464 (2014)


BindingDB Entry DOI: 10.7270/Q2J38R7W
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-beta


(Homo sapiens (Human))
BDBM131792
PNG
(BDBM194658 | US8835464, 11a)
Show SMILES CC(C)c1cc(-c2nnc(NC(C)=O)n2-c2ccc3n(C)ccc3c2)c(O)cc1O
Show InChI InChI=1S/C22H23N5O3/c1-12(2)16-10-17(20(30)11-19(16)29)21-24-25-22(23-13(3)28)27(21)15-5-6-18-14(9-15)7-8-26(18)4/h5-12,29-30H,1-4H3,(H,23,25,28)
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n/an/a 382n/an/an/an/an/an/a



Synta Pharmaceuticals Corp.

US Patent


Assay Description
Hsp90 protein is obtained from Stressgen (Cat#SPP-770). Assay buffer: 100 mM Tris-HCl, Ph7.4, 20 mM KCl, 6 mM MgCl2. Malachite green (0.0812% w/v) (M...


US Patent US8835464 (2014)


BindingDB Entry DOI: 10.7270/Q2J38R7W
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-beta


(Homo sapiens (Human))
BDBM131786
PNG
(BDBM194652 | US8835464, 5a)
Show SMILES CC(C)c1cc(-c2nnc(Nc3ccc4ncccc4c3)n2-c2ccc3n(C)ccc3c2)c(O)cc1O
Show InChI InChI=1S/C29H26N6O2/c1-17(2)22-15-23(27(37)16-26(22)36)28-32-33-29(31-20-6-8-24-18(13-20)5-4-11-30-24)35(28)21-7-9-25-19(14-21)10-12-34(25)3/h4-17,36-37H,1-3H3,(H,31,33)
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n/an/a 680n/an/an/an/an/an/a



Synta Pharmaceuticals Corp.

US Patent


Assay Description
Hsp90 protein is obtained from Stressgen (Cat#SPP-770). Assay buffer: 100 mM Tris-HCl, Ph7.4, 20 mM KCl, 6 mM MgCl2. Malachite green (0.0812% w/v) (M...


US Patent US8835464 (2014)


BindingDB Entry DOI: 10.7270/Q2J38R7W
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-beta


(Homo sapiens (Human))
BDBM131796
PNG
(BDBM194662 | US8835464, 15a)
Show SMILES CC(C)c1cc(-c2nnc(NC(=O)c3ccco3)n2-c2ccc3n(C)ccc3c2)c(O)cc1O
Show InChI InChI=1S/C25H23N5O4/c1-14(2)17-12-18(21(32)13-20(17)31)23-27-28-25(26-24(33)22-5-4-10-34-22)30(23)16-6-7-19-15(11-16)8-9-29(19)3/h4-14,31-32H,1-3H3,(H,26,28,33)
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n/an/a 1.04E+3n/an/an/an/an/an/a



Synta Pharmaceuticals Corp.

US Patent


Assay Description
Hsp90 protein is obtained from Stressgen (Cat#SPP-770). Assay buffer: 100 mM Tris-HCl, Ph7.4, 20 mM KCl, 6 mM MgCl2. Malachite green (0.0812% w/v) (M...


US Patent US8835464 (2014)


BindingDB Entry DOI: 10.7270/Q2J38R7W
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-beta


(Homo sapiens (Human))
BDBM131783
PNG
(BDBM194648 | US8835464, 1a)
Show SMILES CC(C)c1cc(-c2nnc(Nc3ccccc3)n2-c2ccc3n(C)ccc3c2)c(O)cc1O
Show InChI InChI=1S/C26H25N5O2/c1-16(2)20-14-21(24(33)15-23(20)32)25-28-29-26(27-18-7-5-4-6-8-18)31(25)19-9-10-22-17(13-19)11-12-30(22)3/h4-16,32-33H,1-3H3,(H,27,29)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Synta Pharmaceuticals Corp.

US Patent


Assay Description
Hsp90 protein is obtained from Stressgen (Cat#SPP-770). Assay buffer: 100 mM Tris-HCl, Ph7.4, 20 mM KCl, 6 mM MgCl2. Malachite green (0.0812% w/v) (M...


US Patent US8835464 (2014)


BindingDB Entry DOI: 10.7270/Q2J38R7W
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-beta


(Homo sapiens (Human))
BDBM131793
PNG
(BDBM194659 | US8835464, 12a)
Show SMILES CCCC(=O)Nc1nnc(-c2cc(C(C)C)c(O)cc2O)n1-c1ccc2n(C)ccc2c1
Show InChI InChI=1S/C24H27N5O3/c1-5-6-22(32)25-24-27-26-23(18-12-17(14(2)3)20(30)13-21(18)31)29(24)16-7-8-19-15(11-16)9-10-28(19)4/h7-14,30-31H,5-6H2,1-4H3,(H,25,27,32)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Synta Pharmaceuticals Corp.

US Patent


Assay Description
Hsp90 protein is obtained from Stressgen (Cat#SPP-770). Assay buffer: 100 mM Tris-HCl, Ph7.4, 20 mM KCl, 6 mM MgCl2. Malachite green (0.0812% w/v) (M...


US Patent US8835464 (2014)


BindingDB Entry DOI: 10.7270/Q2J38R7W
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-beta


(Homo sapiens (Human))
BDBM131797
PNG
(BDBM194663 | US8835464, 16a)
Show SMILES CC(C)c1cc(-c2nnc(NC(=O)Cc3ccccc3)n2-c2ccc3n(C)ccc3c2)c(O)cc1O
Show InChI InChI=1S/C28H27N5O3/c1-17(2)21-15-22(25(35)16-24(21)34)27-30-31-28(29-26(36)13-18-7-5-4-6-8-18)33(27)20-9-10-23-19(14-20)11-12-32(23)3/h4-12,14-17,34-35H,13H2,1-3H3,(H,29,31,36)
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n/an/a 1.46E+3n/an/an/an/an/an/a



Synta Pharmaceuticals Corp.

US Patent


Assay Description
Hsp90 protein is obtained from Stressgen (Cat#SPP-770). Assay buffer: 100 mM Tris-HCl, Ph7.4, 20 mM KCl, 6 mM MgCl2. Malachite green (0.0812% w/v) (M...


US Patent US8835464 (2014)


BindingDB Entry DOI: 10.7270/Q2J38R7W
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-beta


(Homo sapiens (Human))
BDBM131795
PNG
(BDBM194661 | US8835464, 14a)
Show SMILES CC(C)C(=O)Nc1nnc(-c2cc(C(C)C)c(O)cc2O)n1-c1ccc2n(C)ccc2c1
Show InChI InChI=1S/C24H27N5O3/c1-13(2)17-11-18(21(31)12-20(17)30)22-26-27-24(25-23(32)14(3)4)29(22)16-6-7-19-15(10-16)8-9-28(19)5/h6-14,30-31H,1-5H3,(H,25,27,32)
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n/an/a 1.56E+3n/an/an/an/an/an/a



Synta Pharmaceuticals Corp.

US Patent


Assay Description
Hsp90 protein is obtained from Stressgen (Cat#SPP-770). Assay buffer: 100 mM Tris-HCl, Ph7.4, 20 mM KCl, 6 mM MgCl2. Malachite green (0.0812% w/v) (M...


US Patent US8835464 (2014)


BindingDB Entry DOI: 10.7270/Q2J38R7W
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-beta


(Homo sapiens (Human))
BDBM131798
PNG
(BDBM194664 | US8835464, 17a)
Show SMILES CC(C)c1cc(-c2nnc(NC(=O)c3ccc(F)c(F)c3)n2-c2ccc3n(C)ccc3c2)c(O)cc1O
Show InChI InChI=1S/C27H23F2N5O3/c1-14(2)18-12-19(24(36)13-23(18)35)25-31-32-27(30-26(37)16-4-6-20(28)21(29)11-16)34(25)17-5-7-22-15(10-17)8-9-33(22)3/h4-14,35-36H,1-3H3,(H,30,32,37)
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n/an/a 1.68E+3n/an/an/an/an/an/a



Synta Pharmaceuticals Corp.

US Patent


Assay Description
Hsp90 protein is obtained from Stressgen (Cat#SPP-770). Assay buffer: 100 mM Tris-HCl, Ph7.4, 20 mM KCl, 6 mM MgCl2. Malachite green (0.0812% w/v) (M...


US Patent US8835464 (2014)


BindingDB Entry DOI: 10.7270/Q2J38R7W
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-beta


(Homo sapiens (Human))
BDBM131789
PNG
(BDBM194655 | US8835464, 8a)
Show SMILES COc1cccc(Nc2nnc(-c3cc(C(C)C)c(O)cc3O)n2-c2ccc3n(C)ccc3c2)c1
Show InChI InChI=1S/C27H27N5O3/c1-16(2)21-14-22(25(34)15-24(21)33)26-29-30-27(28-18-6-5-7-20(13-18)35-4)32(26)19-8-9-23-17(12-19)10-11-31(23)3/h5-16,33-34H,1-4H3,(H,28,30)
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n/an/a 1.80E+3n/an/an/an/an/an/a



Synta Pharmaceuticals Corp.

US Patent


Assay Description
Hsp90 protein is obtained from Stressgen (Cat#SPP-770). Assay buffer: 100 mM Tris-HCl, Ph7.4, 20 mM KCl, 6 mM MgCl2. Malachite green (0.0812% w/v) (M...


US Patent US8835464 (2014)


BindingDB Entry DOI: 10.7270/Q2J38R7W
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-beta


(Homo sapiens (Human))
BDBM131794
PNG
(BDBM194660 | US8835464, 13a)
Show SMILES COCC(=O)Nc1nnc(-c2cc(C(C)C)c(O)cc2O)n1-c1ccc2n(C)ccc2c1
Show InChI InChI=1S/C23H25N5O4/c1-13(2)16-10-17(20(30)11-19(16)29)22-25-26-23(24-21(31)12-32-4)28(22)15-5-6-18-14(9-15)7-8-27(18)3/h5-11,13,29-30H,12H2,1-4H3,(H,24,26,31)
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n/an/a 1.80E+3n/an/an/an/an/an/a



Synta Pharmaceuticals Corp.

US Patent


Assay Description
Hsp90 protein is obtained from Stressgen (Cat#SPP-770). Assay buffer: 100 mM Tris-HCl, Ph7.4, 20 mM KCl, 6 mM MgCl2. Malachite green (0.0812% w/v) (M...


US Patent US8835464 (2014)


BindingDB Entry DOI: 10.7270/Q2J38R7W
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-beta


(Homo sapiens (Human))
BDBM131802
PNG
(US8835464, 3b)
Show SMILES CCc1cc(-c2nnc(S)n2-c2cccc3ccccc23)c(OC(=O)C(C)(C)C)cc1OC(=O)C(C)(C)C |(-1.96,4.55,;-.62,3.78,;-.62,2.24,;.71,1.47,;.71,-.07,;2.04,-.84,;2.52,-2.3,;4.06,-2.3,;4.54,-.84,;5.87,-.07,;3.29,.07,;3.29,1.61,;1.96,2.38,;1.96,3.92,;3.29,4.69,;4.62,3.92,;5.96,4.69,;7.29,3.92,;7.29,2.38,;5.96,1.61,;4.62,2.38,;-.62,-.84,;-.62,-2.38,;-1.96,-3.15,;-1.96,-4.69,;-3.29,-2.38,;-4.62,-3.15,;-3.29,-.84,;-1.96,-1.61,;-1.96,-.07,;-1.96,1.47,;-3.29,2.24,;-4.62,1.47,;-4.62,-.07,;-5.96,2.24,;-5.96,3.78,;-7.29,1.47,;-4.62,3.01,)|
Show InChI InChI=1S/C30H33N3O4S/c1-8-18-16-21(24(37-27(35)30(5,6)7)17-23(18)36-26(34)29(2,3)4)25-31-32-28(38)33(25)22-15-11-13-19-12-9-10-14-20(19)22/h9-17H,8H2,1-7H3,(H,32,38)
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n/an/a>2.00E+3n/an/an/an/an/an/a



Synta Pharmaceuticals Corp.

US Patent


Assay Description
Hsp90 protein is obtained from Stressgen (Cat#SPP-770). Assay buffer: 100 mM Tris-HCl, Ph7.4, 20 mM KCl, 6 mM MgCl2. Malachite green (0.0812% w/v) (M...


US Patent US8835464 (2014)


BindingDB Entry DOI: 10.7270/Q2J38R7W
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-beta


(Homo sapiens (Human))
BDBM131803
PNG
(BDBM194672 | US8835464, 4b)
Show SMILES CCc1cc(-c2nnc(S)n2-c2cccc3ccccc23)c(OC(=O)c2ccccc2)cc1OC(=O)c1ccccc1 |(-1.34,4.49,;-0,3.72,;-0,2.18,;1.33,1.41,;1.33,-.13,;2.67,-.9,;3.14,-2.37,;4.68,-2.37,;5.16,-.9,;6.49,-.13,;3.91,0,;3.91,1.54,;2.58,2.31,;2.58,3.85,;3.91,4.62,;5.25,3.85,;6.58,4.62,;7.91,3.85,;7.91,2.31,;6.58,1.54,;5.25,2.31,;-0,-.9,;-0,-2.44,;-1.34,-3.21,;-1.34,-4.75,;-2.67,-2.44,;-3.76,-1.35,;-5.25,-1.75,;-5.64,-3.24,;-4.56,-4.33,;-3.07,-3.93,;-1.34,-.13,;-1.34,1.41,;-2.67,2.18,;-4,1.41,;-4,-.13,;-5.34,2.18,;-4.94,3.66,;-6.03,4.75,;-7.51,4.35,;-7.91,2.87,;-6.82,1.78,)|
Show InChI InChI=1S/C34H25N3O4S/c1-2-22-20-27(31-35-36-34(42)37(31)28-19-11-17-23-12-9-10-18-26(23)28)30(41-33(39)25-15-7-4-8-16-25)21-29(22)40-32(38)24-13-5-3-6-14-24/h3-21H,2H2,1H3,(H,36,42)
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n/an/a>2.00E+3n/an/an/an/an/an/a



Synta Pharmaceuticals Corp.

US Patent


Assay Description
Hsp90 protein is obtained from Stressgen (Cat#SPP-770). Assay buffer: 100 mM Tris-HCl, Ph7.4, 20 mM KCl, 6 mM MgCl2. Malachite green (0.0812% w/v) (M...


US Patent US8835464 (2014)


BindingDB Entry DOI: 10.7270/Q2J38R7W
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-beta


(Homo sapiens (Human))
BDBM131790
PNG
(BDBM194656 | US8835464, 9a)
Show SMILES CC(C)c1cc(-c2nnc(NC(=O)c3ccccc3)n2-c2ccc3n(C)ccc3c2)c(O)cc1O
Show InChI InChI=1S/C27H25N5O3/c1-16(2)20-14-21(24(34)15-23(20)33)25-29-30-27(28-26(35)17-7-5-4-6-8-17)32(25)19-9-10-22-18(13-19)11-12-31(22)3/h4-16,33-34H,1-3H3,(H,28,30,35)
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n/an/a 2.60E+3n/an/an/an/an/an/a



Synta Pharmaceuticals Corp.

US Patent


Assay Description
Hsp90 protein is obtained from Stressgen (Cat#SPP-770). Assay buffer: 100 mM Tris-HCl, Ph7.4, 20 mM KCl, 6 mM MgCl2. Malachite green (0.0812% w/v) (M...


US Patent US8835464 (2014)


BindingDB Entry DOI: 10.7270/Q2J38R7W
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-beta


(Homo sapiens (Human))
BDBM131800
PNG
(BDBM194666 | US8835464, 19a)
Show SMILES CC(C)c1cc(-c2nnc(NC(=O)COc3ccc(Cl)cc3)n2-c2ccc3n(C)ccc3c2)c(O)cc1O
Show InChI InChI=1S/C28H26ClN5O4/c1-16(2)21-13-22(25(36)14-24(21)35)27-31-32-28(30-26(37)15-38-20-7-4-18(29)5-8-20)34(27)19-6-9-23-17(12-19)10-11-33(23)3/h4-14,16,35-36H,15H2,1-3H3,(H,30,32,37)
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n/an/a 2.74E+3n/an/an/an/an/an/a



Synta Pharmaceuticals Corp.

US Patent


Assay Description
Hsp90 protein is obtained from Stressgen (Cat#SPP-770). Assay buffer: 100 mM Tris-HCl, Ph7.4, 20 mM KCl, 6 mM MgCl2. Malachite green (0.0812% w/v) (M...


US Patent US8835464 (2014)


BindingDB Entry DOI: 10.7270/Q2J38R7W
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-beta


(Homo sapiens (Human))
BDBM131787
PNG
(BDBM194653 | US8835464, 6a)
Show SMILES CC(C)c1cc(-c2nnc(Nc3cccc(N)c3)n2-c2ccc3n(C)ccc3c2)c(O)cc1O
Show InChI InChI=1S/C26H26N6O2/c1-15(2)20-13-21(24(34)14-23(20)33)25-29-30-26(28-18-6-4-5-17(27)12-18)32(25)19-7-8-22-16(11-19)9-10-31(22)3/h4-15,33-34H,27H2,1-3H3,(H,28,30)
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n/an/a 2.90E+3n/an/an/an/an/an/a



Synta Pharmaceuticals Corp.

US Patent


Assay Description
Hsp90 protein is obtained from Stressgen (Cat#SPP-770). Assay buffer: 100 mM Tris-HCl, Ph7.4, 20 mM KCl, 6 mM MgCl2. Malachite green (0.0812% w/v) (M...


US Patent US8835464 (2014)


BindingDB Entry DOI: 10.7270/Q2J38R7W
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-beta


(Homo sapiens (Human))
BDBM131799
PNG
(BDBM194665 | US8835464, 18a)
Show SMILES CC(C)c1cc(-c2nnc(NC(=O)C(F)(F)F)n2-c2ccc3n(C)ccc3c2)c(O)cc1O
Show InChI InChI=1S/C22H20F3N5O3/c1-11(2)14-9-15(18(32)10-17(14)31)19-27-28-21(26-20(33)22(23,24)25)30(19)13-4-5-16-12(8-13)6-7-29(16)3/h4-11,31-32H,1-3H3,(H,26,28,33)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Synta Pharmaceuticals Corp.

US Patent


Assay Description
Hsp90 protein is obtained from Stressgen (Cat#SPP-770). Assay buffer: 100 mM Tris-HCl, Ph7.4, 20 mM KCl, 6 mM MgCl2. Malachite green (0.0812% w/v) (M...


US Patent US8835464 (2014)


BindingDB Entry DOI: 10.7270/Q2J38R7W
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-beta


(Homo sapiens (Human))
BDBM131784
PNG
(BDBM194649 | US8835464, 2a)
Show SMILES CNc1nnc(-c2cc(C(C)C)c(O)cc2O)n1-c1ccc2n(C)ccc2c1
Show InChI InChI=1S/C21H23N5O2/c1-12(2)15-10-16(19(28)11-18(15)27)20-23-24-21(22-3)26(20)14-5-6-17-13(9-14)7-8-25(17)4/h5-12,27-28H,1-4H3,(H,22,24)
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n/an/a 3.50E+3n/an/an/an/an/an/a



Synta Pharmaceuticals Corp.

US Patent


Assay Description
Hsp90 protein is obtained from Stressgen (Cat#SPP-770). Assay buffer: 100 mM Tris-HCl, Ph7.4, 20 mM KCl, 6 mM MgCl2. Malachite green (0.0812% w/v) (M...


US Patent US8835464 (2014)


BindingDB Entry DOI: 10.7270/Q2J38R7W
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-beta


(Homo sapiens (Human))
BDBM131782
PNG
(BDBM194647 | US8835464, 1)
Show SMILES CCc1nc(-c2nnc(S)n2-c2ccc3n(C)ccc3c2)c(O)cc1O
Show InChI InChI=1S/C18H17N5O2S/c1-3-12-14(24)9-15(25)16(19-12)17-20-21-18(26)23(17)11-4-5-13-10(8-11)6-7-22(13)2/h4-9,24-25H,3H2,1-2H3,(H,21,26)
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n/an/a 4.75E+3n/an/an/an/an/an/a



Synta Pharmaceuticals Corp.

US Patent


Assay Description
Hsp90 protein is obtained from Stressgen (Cat#SPP-770). Assay buffer: 100 mM Tris-HCl, Ph7.4, 20 mM KCl, 6 mM MgCl2. Malachite green (0.0812% w/v) (M...


US Patent US8835464 (2014)


BindingDB Entry DOI: 10.7270/Q2J38R7W
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-beta


(Homo sapiens (Human))
BDBM131788
PNG
(BDBM194654 | US8835464, 7a)
Show SMILES CC(C)c1cc(-c2nnc(Nc3cccc(c3)C(F)(F)F)n2-c2ccc3n(C)ccc3c2)c(O)cc1O
Show InChI InChI=1S/C27H24F3N5O2/c1-15(2)20-13-21(24(37)14-23(20)36)25-32-33-26(31-18-6-4-5-17(12-18)27(28,29)30)35(25)19-7-8-22-16(11-19)9-10-34(22)3/h4-15,36-37H,1-3H3,(H,31,33)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Synta Pharmaceuticals Corp.

US Patent


Assay Description
Hsp90 protein is obtained from Stressgen (Cat#SPP-770). Assay buffer: 100 mM Tris-HCl, Ph7.4, 20 mM KCl, 6 mM MgCl2. Malachite green (0.0812% w/v) (M...


US Patent US8835464 (2014)


BindingDB Entry DOI: 10.7270/Q2J38R7W
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-beta


(Homo sapiens (Human))
BDBM131801
PNG
(BDBM194667 | US8835464, 20a)
Show SMILES CC(C)c1cc(-c2nnc(NC(=O)C3CCCC3)n2-c2ccc3n(C)ccc3c2)c(O)cc1O
Show InChI InChI=1S/C26H29N5O3/c1-15(2)19-13-20(23(33)14-22(19)32)24-28-29-26(27-25(34)16-6-4-5-7-16)31(24)18-8-9-21-17(12-18)10-11-30(21)3/h8-16,32-33H,4-7H2,1-3H3,(H,27,29,34)
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n/an/a 5.92E+3n/an/an/an/an/an/a



Synta Pharmaceuticals Corp.

US Patent


Assay Description
Hsp90 protein is obtained from Stressgen (Cat#SPP-770). Assay buffer: 100 mM Tris-HCl, Ph7.4, 20 mM KCl, 6 mM MgCl2. Malachite green (0.0812% w/v) (M...


US Patent US8835464 (2014)


BindingDB Entry DOI: 10.7270/Q2J38R7W
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-beta


(Homo sapiens (Human))
BDBM131791
PNG
(BDBM194657 | US8835464, 10a)
Show SMILES CC(C)c1cc(-c2nnc(NC(=O)c3cc(C)on3)n2-c2ccc3n(C)ccc3c2)c(O)cc1O
Show InChI InChI=1S/C25H24N6O4/c1-13(2)17-11-18(22(33)12-21(17)32)23-27-28-25(26-24(34)19-9-14(3)35-29-19)31(23)16-5-6-20-15(10-16)7-8-30(20)4/h5-13,32-33H,1-4H3,(H,26,28,34)
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n/an/a 7.86E+3n/an/an/an/an/an/a



Synta Pharmaceuticals Corp.

US Patent


Assay Description
Hsp90 protein is obtained from Stressgen (Cat#SPP-770). Assay buffer: 100 mM Tris-HCl, Ph7.4, 20 mM KCl, 6 mM MgCl2. Malachite green (0.0812% w/v) (M...


US Patent US8835464 (2014)


BindingDB Entry DOI: 10.7270/Q2J38R7W
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-beta


(Homo sapiens (Human))
BDBM131804
PNG
(BDBM194674 | US8835464, 5b)
Show SMILES COCCOc1ccc(-c2nnc(S)n2-c2cccc3ccccc23)c(O)c1 |(-7.96,1.09,;-6.62,.32,;-5.29,1.09,;-3.96,.32,;-2.62,1.09,;-1.29,.32,;.04,1.09,;1.38,.32,;1.38,-1.22,;2.71,-1.99,;3.19,-3.46,;4.73,-3.46,;5.2,-1.99,;6.54,-1.22,;3.96,-1.09,;3.96,.45,;2.62,1.22,;2.62,2.76,;3.96,3.53,;5.29,2.76,;6.62,3.53,;7.96,2.76,;7.96,1.22,;6.62,.45,;5.29,1.22,;.04,-1.99,;.04,-3.53,;-1.29,-1.22,)|
Show InChI InChI=1S/C21H19N3O3S/c1-26-11-12-27-15-9-10-17(19(25)13-15)20-22-23-21(28)24(20)18-8-4-6-14-5-2-3-7-16(14)18/h2-10,13,25H,11-12H2,1H3,(H,23,28)
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n/an/a 3.00E+4n/an/an/an/an/an/a



Synta Pharmaceuticals Corp.

US Patent


Assay Description
Hsp90 protein is obtained from Stressgen (Cat#SPP-770). Assay buffer: 100 mM Tris-HCl, Ph7.4, 20 mM KCl, 6 mM MgCl2. Malachite green (0.0812% w/v) (M...


US Patent US8835464 (2014)


BindingDB Entry DOI: 10.7270/Q2J38R7W
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-beta


(Homo sapiens (Human))
BDBM131785
PNG
(BDBM194650 | US8835464, 3a)
Show SMILES CC(C)c1cc(-c2nnc(NCc3ccccc3)n2-c2ccc3n(C)ccc3c2)c(O)cc1O
Show InChI InChI=1S/C27H27N5O2/c1-17(2)21-14-22(25(34)15-24(21)33)26-29-30-27(28-16-18-7-5-4-6-8-18)32(26)20-9-10-23-19(13-20)11-12-31(23)3/h4-15,17,33-34H,16H2,1-3H3,(H,28,30)
PDB
MMDB

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Similars

US Patent
n/an/a 3.50E+4n/an/an/an/an/an/a



Synta Pharmaceuticals Corp.

US Patent


Assay Description
Hsp90 protein is obtained from Stressgen (Cat#SPP-770). Assay buffer: 100 mM Tris-HCl, Ph7.4, 20 mM KCl, 6 mM MgCl2. Malachite green (0.0812% w/v) (M...


US Patent US8835464 (2014)


BindingDB Entry DOI: 10.7270/Q2J38R7W
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-beta


(Homo sapiens (Human))
BDBM131805
PNG
(US8835464, 6b)
Show SMILES CCNC(=O)Sc1nnc(-c2ccc(OC(=O)N(C)C)cc2OC(=O)N(C)C)n1-c1cccc2ccccc12 |(9.23,-1.82,;7.75,-2.22,;6.66,-1.13,;5.17,-1.53,;4.77,-3.02,;4.08,-.44,;2.59,-.84,;2.12,-2.3,;.58,-2.3,;.1,-.84,;-1.23,-.07,;-1.23,1.47,;-2.57,2.24,;-3.9,1.47,;-5.23,2.24,;-6.57,1.47,;-6.57,-.07,;-7.9,2.24,;-9.23,1.47,;-7.9,3.78,;-3.9,-.07,;-2.57,-.84,;-2.57,-2.38,;-3.9,-3.15,;-3.9,-4.69,;-5.23,-2.38,;-5.23,-.84,;-6.57,-3.15,;1.35,.07,;1.35,1.61,;.01,2.38,;.01,3.92,;1.35,4.69,;2.68,3.92,;4.02,4.69,;5.35,3.92,;5.35,2.38,;4.02,1.61,;2.68,2.38,)|
Show InChI InChI=1S/C27H28N6O5S/c1-6-28-25(34)39-24-30-29-23(33(24)21-13-9-11-17-10-7-8-12-19(17)21)20-15-14-18(37-26(35)31(2)3)16-22(20)38-27(36)32(4)5/h7-16H,6H2,1-5H3,(H,28,34)
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MMDB

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US Patent
n/an/a>1.00E+5n/an/an/an/an/an/a



Synta Pharmaceuticals Corp.

US Patent


Assay Description
Hsp90 protein is obtained from Stressgen (Cat#SPP-770). Assay buffer: 100 mM Tris-HCl, Ph7.4, 20 mM KCl, 6 mM MgCl2. Malachite green (0.0812% w/v) (M...


US Patent US8835464 (2014)


BindingDB Entry DOI: 10.7270/Q2J38R7W
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%