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Patent code US9156836

Compile Data Set for Download or QSAR
Found 5 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/90-beta


(Homo sapiens (Human))
BDBM185365
PNG
(US9156836, 2)
Show SMILES NC(=O)C(=N)N1CCCCc2cc(O)cc(O)c2C1=N
Show InChI InChI=1S/C13H16N4O3/c14-11-10-7(5-8(18)6-9(10)19)3-1-2-4-17(11)12(15)13(16)20/h5-6,14-15,18-19H,1-4H2,(H2,16,20)
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US Patent
n/an/a 1.22E+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 US9156836 (2015)


BindingDB Entry DOI: 10.7270/Q2J38RB7
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta


(Homo sapiens (Human))
BDBM185366
PNG
(US9156836, 3)
Show SMILES NC(=O)c1nnc2-c3c(O)cc(O)cc3C\C=C/Cn12 |c:17|
Show InChI InChI=1S/C13H12N4O3/c14-11(20)13-16-15-12-10-7(3-1-2-4-17(12)13)5-8(18)6-9(10)19/h1-2,5-6,18-19H,3-4H2,(H2,14,20)/b2-1-
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n/an/a 1.70E+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 US9156836 (2015)


BindingDB Entry DOI: 10.7270/Q2J38RB7
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta


(Homo sapiens (Human))
BDBM185368
PNG
(US9156836, 5)
Show SMILES NC(=O)c1nnc2-c3c(O)cc(O)cc3CC(Br)C(Br)Cn12
Show InChI InChI=1S/C13H12Br2N4O3/c14-7-2-5-1-6(20)3-9(21)10(5)12-17-18-13(11(16)22)19(12)4-8(7)15/h1,3,7-8,20-21H,2,4H2,(H2,16,22)
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n/an/a 2.34E+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 US9156836 (2015)


BindingDB Entry DOI: 10.7270/Q2J38RB7
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta


(Homo sapiens (Human))
BDBM185367
PNG
(US9156836, 4)
Show SMILES NC(=O)c1nnc2-c3c(O)cc(O)cc3CC(O)C(O)Cn12
Show InChI InChI=1S/C13H14N4O5/c14-11(22)13-16-15-12-10-5(1-6(18)3-8(10)20)2-7(19)9(21)4-17(12)13/h1,3,7,9,18-21H,2,4H2,(H2,14,22)
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n/an/a 2.43E+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 US9156836 (2015)


BindingDB Entry DOI: 10.7270/Q2J38RB7
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta


(Homo sapiens (Human))
BDBM185369
PNG
(US9156836, 12)
Show SMILES NC(=O)c1nnc2-c3c(O)cc(O)cc3CCCn12
Show InChI InChI=1S/C12H12N4O3/c13-10(19)12-15-14-11-9-6(2-1-3-16(11)12)4-7(17)5-8(9)18/h4-5,17-18H,1-3H2,(H2,13,19)
PDB

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US Patent
n/an/a 8.72E+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 US9156836 (2015)


BindingDB Entry DOI: 10.7270/Q2J38RB7
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%