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Patent code US9029356

Compile Data Set for Download or QSAR
Found 12 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
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM158154
PNG
(US10081622, Compound 11 | US10370379, Entrectinib ...)
Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1
Show InChI InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)
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n/an/a 55n/an/an/an/a7.5n/a



Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
ALK enzyme needs pre-activation in order to linearize reaction kinetics.Kinase Buffer (KB) for ALKKinase buffer was composed of 50 mM HEPES pH 7.5 co...

US Patent US9029356 (2015)


BindingDB Entry DOI: 10.7270/Q29C6W5G
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM158155
PNG
(US10081622, Compound 4 | US9029356, 4 | US9255087,...)
Show SMILES CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1n[nH]c2ccc(Cc3cc(F)cc(F)c3)cc12
Show InChI InChI=1S/C26H25F2N5O/c1-32-8-10-33(11-9-32)22-5-3-19(4-6-22)26(34)29-25-23-15-17(2-7-24(23)30-31-25)12-18-13-20(27)16-21(28)14-18/h2-7,13-16H,8-12H2,1H3,(H2,29,30,31,34)
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n/an/a 207n/an/an/an/a7.5n/a



Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
ALK enzyme needs pre-activation in order to linearize reaction kinetics.Kinase Buffer (KB) for ALKKinase buffer was composed of 50 mM HEPES pH 7.5 co...

US Patent US9029356 (2015)


BindingDB Entry DOI: 10.7270/Q29C6W5G
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))		BDBM158154
PNG
(US10081622, Compound 11 | US10370379, Entrectinib ...)
Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1
Show InChI InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)
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n/an/a 263n/an/an/an/an/an/a



Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay.A spe...

US Patent US9029356 (2015)


BindingDB Entry DOI: 10.7270/Q29C6W5G
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))		BDBM158154
PNG
(US10081622, Compound 11 | US10370379, Entrectinib ...)
Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1
Show InChI InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)
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n/an/a 338n/an/an/an/an/an/a



Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay.A spe...

US Patent US9029356 (2015)


BindingDB Entry DOI: 10.7270/Q29C6W5G
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM158156
PNG
(US10081622, Compound 26 | US9029356, 26 | US925508...)
Show SMILES COCCNc1cc(ccc1C(=O)Nc1n[nH]c2ccc(Cc3cc(F)cc(F)c3)cc12)N1CCN(C)CC1
Show InChI InChI=1S/C29H32F2N6O2/c1-36-8-10-37(11-9-36)23-4-5-24(27(18-23)32-7-12-39-2)29(38)33-28-25-16-19(3-6-26(25)34-35-28)13-20-14-21(30)17-22(31)15-20/h3-6,14-18,32H,7-13H2,1-2H3,(H2,33,34,35,38)
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n/an/a 411n/an/an/an/a7.5n/a



Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
ALK enzyme needs pre-activation in order to linearize reaction kinetics.Kinase Buffer (KB) for ALKKinase buffer was composed of 50 mM HEPES pH 7.5 co...

US Patent US9029356 (2015)


BindingDB Entry DOI: 10.7270/Q29C6W5G
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))		BDBM158155
PNG
(US10081622, Compound 4 | US9029356, 4 | US9255087,...)
Show SMILES CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1n[nH]c2ccc(Cc3cc(F)cc(F)c3)cc12
Show InChI InChI=1S/C26H25F2N5O/c1-32-8-10-33(11-9-32)22-5-3-19(4-6-22)26(34)29-25-23-15-17(2-7-24(23)30-31-25)12-18-13-20(27)16-21(28)14-18/h2-7,13-16H,8-12H2,1H3,(H2,29,30,31,34)
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n/an/a 484n/an/an/an/an/an/a



Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay.A spe...

US Patent US9029356 (2015)


BindingDB Entry DOI: 10.7270/Q29C6W5G
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))		BDBM158156
PNG
(US10081622, Compound 26 | US9029356, 26 | US925508...)
Show SMILES COCCNc1cc(ccc1C(=O)Nc1n[nH]c2ccc(Cc3cc(F)cc(F)c3)cc12)N1CCN(C)CC1
Show InChI InChI=1S/C29H32F2N6O2/c1-36-8-10-37(11-9-36)23-4-5-24(27(18-23)32-7-12-39-2)29(38)33-28-25-16-19(3-6-26(25)34-35-28)13-20-14-21(30)17-22(31)15-20/h3-6,14-18,32H,7-13H2,1-2H3,(H2,33,34,35,38)
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n/an/a 568n/an/an/an/an/an/a



Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay.A spe...

US Patent US9029356 (2015)


BindingDB Entry DOI: 10.7270/Q29C6W5G
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))		BDBM158156
PNG
(US10081622, Compound 26 | US9029356, 26 | US925508...)
Show SMILES COCCNc1cc(ccc1C(=O)Nc1n[nH]c2ccc(Cc3cc(F)cc(F)c3)cc12)N1CCN(C)CC1
Show InChI InChI=1S/C29H32F2N6O2/c1-36-8-10-37(11-9-36)23-4-5-24(27(18-23)32-7-12-39-2)29(38)33-28-25-16-19(3-6-26(25)34-35-28)13-20-14-21(30)17-22(31)15-20/h3-6,14-18,32H,7-13H2,1-2H3,(H2,33,34,35,38)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay.A spe...

US Patent US9029356 (2015)


BindingDB Entry DOI: 10.7270/Q29C6W5G
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM158157
PNG
(US10081622, Compound 18 | US9029356, 18 | US925508...)
Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCCCC2)c1
Show InChI InChI=1S/C32H36F2N6O/c1-39-11-13-40(14-12-39)26-8-9-27(30(20-26)35-25-5-3-2-4-6-25)32(41)36-31-28-18-21(7-10-29(28)37-38-31)15-22-16-23(33)19-24(34)17-22/h7-10,16-20,25,35H,2-6,11-15H2,1H3,(H2,36,37,38,41)
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n/an/a 1.77E+3n/an/an/an/a7.5n/a



Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
ALK enzyme needs pre-activation in order to linearize reaction kinetics.Kinase Buffer (KB) for ALKKinase buffer was composed of 50 mM HEPES pH 7.5 co...

US Patent US9029356 (2015)


BindingDB Entry DOI: 10.7270/Q29C6W5G
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))		BDBM158155
PNG
(US10081622, Compound 4 | US9029356, 4 | US9255087,...)
Show SMILES CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1n[nH]c2ccc(Cc3cc(F)cc(F)c3)cc12
Show InChI InChI=1S/C26H25F2N5O/c1-32-8-10-33(11-9-32)22-5-3-19(4-6-22)26(34)29-25-23-15-17(2-7-24(23)30-31-25)12-18-13-20(27)16-21(28)14-18/h2-7,13-16H,8-12H2,1H3,(H2,29,30,31,34)
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n/an/a 2.35E+3n/an/an/an/an/an/a



Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay.A spe...

US Patent US9029356 (2015)


BindingDB Entry DOI: 10.7270/Q29C6W5G
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))		BDBM158157
PNG
(US10081622, Compound 18 | US9029356, 18 | US925508...)
Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCCCC2)c1
Show InChI InChI=1S/C32H36F2N6O/c1-39-11-13-40(14-12-39)26-8-9-27(30(20-26)35-25-5-3-2-4-6-25)32(41)36-31-28-18-21(7-10-29(28)37-38-31)15-22-16-23(33)19-24(34)17-22/h7-10,16-20,25,35H,2-6,11-15H2,1H3,(H2,36,37,38,41)
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n/an/a 3.23E+3n/an/an/an/an/an/a



Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay.A spe...

US Patent US9029356 (2015)


BindingDB Entry DOI: 10.7270/Q29C6W5G
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))		BDBM158157
PNG
(US10081622, Compound 18 | US9029356, 18 | US925508...)
Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCCCC2)c1
Show InChI InChI=1S/C32H36F2N6O/c1-39-11-13-40(14-12-39)26-8-9-27(30(20-26)35-25-5-3-2-4-6-25)32(41)36-31-28-18-21(7-10-29(28)37-38-31)15-22-16-23(33)19-24(34)17-22/h7-10,16-20,25,35H,2-6,11-15H2,1H3,(H2,36,37,38,41)
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n/an/a 6.07E+3n/an/an/an/an/an/a



Nerviano Medical Sciences S.R.L.

US Patent


Assay Description
The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay.A spe...

US Patent US9029356 (2015)


BindingDB Entry DOI: 10.7270/Q29C6W5G
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%