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Patent code US9120745

Compile Data Set for Download or QSAR
Found 4 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))		BDBM176684
PNG
(US9120745, 3)
Show SMILES CC(C)c1cc(-c2nnc(O)n2-c2ccc3n(C)ccc3c2)c(O)cc1OP(O)(O)=O
Show InChI InChI=1S/C20H21N4O6P/c1-11(2)14-9-15(17(25)10-18(14)30-31(27,28)29)19-21-22-20(26)24(19)13-4-5-16-12(8-13)6-7-23(16)3/h4-11,25H,1-3H3,(H,22,26)(H2,27,28,29)
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US Patent
n/an/a 88n/an/an/an/an/a37



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 US9120745 (2015)


BindingDB Entry DOI: 10.7270/Q2KP80ZC
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta


(Homo sapiens (Human))		BDBM176682
PNG
(US9120745, 2)
Show SMILES CC(C)c1cc(-c2nnc(O)n2-c2ccc(nc2)N2CCOCC2)c(O)cc1OP(O)(O)=O
Show InChI InChI=1S/C20H24N5O7P/c1-12(2)14-9-15(16(26)10-17(14)32-33(28,29)30)19-22-23-20(27)25(19)13-3-4-18(21-11-13)24-5-7-31-8-6-24/h3-4,9-12,26H,5-8H2,1-2H3,(H,23,27)(H2,28,29,30)
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n/an/a 90n/an/an/an/an/a37



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 US9120745 (2015)


BindingDB Entry DOI: 10.7270/Q2KP80ZC
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta


(Homo sapiens (Human))		BDBM176686
PNG
(US9120745, 4)
Show SMILES CC(C)c1cc(-c2nnc(O)n2-c2ccc3n(C)ccc3c2)c(O)cc1OP([O-])([O-])=O
Show InChI InChI=1S/C20H19N4O4P.2Na.2H2O/c1-11(2)14-9-15(17(25)10-18(14)28-29-27)19-21-22-20(26)24(19)13-4-5-16-12(8-13)6-7-23(16)3;;;;/h4-11,25H,1-3H3,(H,22,26);;;2*1H2/q;2*+1;;/p-2
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n/an/a 182n/an/an/an/an/a37



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 US9120745 (2015)


BindingDB Entry DOI: 10.7270/Q2KP80ZC
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta


(Homo sapiens (Human))		BDBM176680
PNG
(US9120745, 1)
Show SMILES CC(C)c1cc(-c2nnc(O)n2-c2ccc3CCCc3c2)c(O)cc1OP(O)(O)=O
Show InChI InChI=1S/C20H22N3O6P/c1-11(2)15-9-16(17(24)10-18(15)29-30(26,27)28)19-21-22-20(25)23(19)14-7-6-12-4-3-5-13(12)8-14/h6-11,24H,3-5H2,1-2H3,(H,22,25)(H2,26,27,28)
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US Patent
n/an/a 228n/an/an/an/an/a37



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 US9120745 (2015)


BindingDB Entry DOI: 10.7270/Q2KP80ZC
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%