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Patent code US9522910

Compile Data Set for Download or QSAR
Found 16 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
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))		BDBM260151
PNG
(US9522910, Table 1 Compound 1: 4-methyl-N-{4-[(4-m...)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3nnc4ccccn34)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C29H27F3N6O/c1-20-6-7-22(17-21(20)9-11-27-35-34-26-5-3-4-12-38(26)27)28(39)33-24-10-8-23(25(18-24)29(30,31)32)19-37-15-13-36(2)14-16-37/h3-8,10,12,17-18H,13-16,19H2,1-2H3,(H,33,39)
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n/an/a<20n/an/an/an/an/an/a



OBSHCHESTVO S OGRANICHENNOY OTVETSTVENNOSTYOU “FUSION PHARMA”

US Patent


Assay Description
Kinase activity and inhibition was measured by established protocols (see e.g. Braunwalder et al., A Solid-Phase Assay for the Determination of Prote...

US Patent US9522910 (2016)


BindingDB Entry DOI: 10.7270/Q2542MHG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1 [T315I]


(Homo sapiens (Human))		BDBM260158
PNG
(US9522910, Table 1 Compound 7: 3-{2-[2-methyl-5-({...)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cn3cnc4cc(ccc34)C(O)=O)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C31H28F3N5O3/c1-20-3-4-22(15-21(20)9-10-39-19-35-27-16-23(30(41)42)6-8-28(27)39)29(40)36-25-7-5-24(26(17-25)31(32,33)34)18-38-13-11-37(2)12-14-38/h3-8,15-17,19H,11-14,18H2,1-2H3,(H,36,40)(H,41,42)
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n/an/a<20n/an/an/an/an/an/a



OBSHCHESTVO S OGRANICHENNOY OTVETSTVENNOSTYOU “FUSION PHARMA”

US Patent


Assay Description
Kinase activity and inhibition was measured by established protocols (see e.g. Braunwalder et al., A Solid-Phase Assay for the Determination of Prote...

US Patent US9522910 (2016)


BindingDB Entry DOI: 10.7270/Q2542MHG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1 [T315I]


(Homo sapiens (Human))		BDBM260152
PNG
(US9522910, Table 1 Compound 2: 3-[2-(1H-1,3-benzod...)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cn3cnc4ccccc34)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C30H28F3N5O/c1-21-7-8-23(17-22(21)11-12-38-20-34-27-5-3-4-6-28(27)38)29(39)35-25-10-9-24(26(18-25)30(31,32)33)19-37-15-13-36(2)14-16-37/h3-10,17-18,20H,13-16,19H2,1-2H3,(H,35,39)
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OBSHCHESTVO S OGRANICHENNOY OTVETSTVENNOSTYOU “FUSION PHARMA”

US Patent


Assay Description
Kinase activity and inhibition was measured by established protocols (see e.g. Braunwalder et al., A Solid-Phase Assay for the Determination of Prote...

US Patent US9522910 (2016)


BindingDB Entry DOI: 10.7270/Q2542MHG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1 [T315I]


(Homo sapiens (Human))		BDBM260157
PNG
(US9522910, Table 1 Compound 8: 4-fluoro-N-{4-[(4-m...)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(F)c(c3)C#Cc3nnc4ccccn34)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C28H24F4N6O/c1-36-12-14-37(15-13-36)18-21-5-8-22(17-23(21)28(30,31)32)33-27(39)20-6-9-24(29)19(16-20)7-10-26-35-34-25-4-2-3-11-38(25)26/h2-6,8-9,11,16-17H,12-15,18H2,1H3,(H,33,39)
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n/an/a<20n/an/an/an/an/an/a



OBSHCHESTVO S OGRANICHENNOY OTVETSTVENNOSTYOU “FUSION PHARMA”

US Patent


Assay Description
Kinase activity and inhibition was measured by established protocols (see e.g. Braunwalder et al., A Solid-Phase Assay for the Determination of Prote...

US Patent US9522910 (2016)


BindingDB Entry DOI: 10.7270/Q2542MHG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1 [T315I]


(Homo sapiens (Human))		BDBM260154
PNG
(US9522910, Table 1 Compound 4: 3-{2-[2-methyl-5-({...)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3nnc4cc(ccn34)C(N)=O)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C30H28F3N7O2/c1-19-3-4-22(15-20(19)6-8-26-36-37-27-16-21(28(34)41)9-10-40(26)27)29(42)35-24-7-5-23(25(17-24)30(31,32)33)18-39-13-11-38(2)12-14-39/h3-5,7,9-10,15-17H,11-14,18H2,1-2H3,(H2,34,41)(H,35,42)
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n/an/a<20n/an/an/an/an/an/a



OBSHCHESTVO S OGRANICHENNOY OTVETSTVENNOSTYOU “FUSION PHARMA”

US Patent


Assay Description
Kinase activity and inhibition was measured by established protocols (see e.g. Braunwalder et al., A Solid-Phase Assay for the Determination of Prote...

US Patent US9522910 (2016)


BindingDB Entry DOI: 10.7270/Q2542MHG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1 [T315I]


(Homo sapiens (Human))		BDBM260155
PNG
(US9522910, Table 1 Compound 5: 4-methyl-N-{4-[(4-m...)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3nnc4cccnn34)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C28H26F3N7O/c1-19-5-6-21(16-20(19)8-10-26-35-34-25-4-3-11-32-38(25)26)27(39)33-23-9-7-22(24(17-23)28(29,30)31)18-37-14-12-36(2)13-15-37/h3-7,9,11,16-17H,12-15,18H2,1-2H3,(H,33,39)
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n/an/a<20n/an/an/an/an/an/a



OBSHCHESTVO S OGRANICHENNOY OTVETSTVENNOSTYOU “FUSION PHARMA”

US Patent


Assay Description
Kinase activity and inhibition was measured by established protocols (see e.g. Braunwalder et al., A Solid-Phase Assay for the Determination of Prote...

US Patent US9522910 (2016)


BindingDB Entry DOI: 10.7270/Q2542MHG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))		BDBM260158
PNG
(US9522910, Table 1 Compound 7: 3-{2-[2-methyl-5-({...)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cn3cnc4cc(ccc34)C(O)=O)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C31H28F3N5O3/c1-20-3-4-22(15-21(20)9-10-39-19-35-27-16-23(30(41)42)6-8-28(27)39)29(40)36-25-7-5-24(26(17-25)31(32,33)34)18-38-13-11-37(2)12-14-38/h3-8,15-17,19H,11-14,18H2,1-2H3,(H,36,40)(H,41,42)
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n/an/a<20n/an/an/an/an/an/a



OBSHCHESTVO S OGRANICHENNOY OTVETSTVENNOSTYOU “FUSION PHARMA”

US Patent


Assay Description
Kinase activity and inhibition was measured by established protocols (see e.g. Braunwalder et al., A Solid-Phase Assay for the Determination of Prote...

US Patent US9522910 (2016)


BindingDB Entry DOI: 10.7270/Q2542MHG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))		BDBM260157
PNG
(US9522910, Table 1 Compound 8: 4-fluoro-N-{4-[(4-m...)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(F)c(c3)C#Cc3nnc4ccccn34)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C28H24F4N6O/c1-36-12-14-37(15-13-36)18-21-5-8-22(17-23(21)28(30,31)32)33-27(39)20-6-9-24(29)19(16-20)7-10-26-35-34-25-4-2-3-11-38(25)26/h2-6,8-9,11,16-17H,12-15,18H2,1H3,(H,33,39)
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n/an/a<20n/an/an/an/an/an/a



OBSHCHESTVO S OGRANICHENNOY OTVETSTVENNOSTYOU “FUSION PHARMA”

US Patent


Assay Description
Kinase activity and inhibition was measured by established protocols (see e.g. Braunwalder et al., A Solid-Phase Assay for the Determination of Prote...

US Patent US9522910 (2016)


BindingDB Entry DOI: 10.7270/Q2542MHG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))		BDBM260152
PNG
(US9522910, Table 1 Compound 2: 3-[2-(1H-1,3-benzod...)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cn3cnc4ccccc34)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C30H28F3N5O/c1-21-7-8-23(17-22(21)11-12-38-20-34-27-5-3-4-6-28(27)38)29(39)35-25-10-9-24(26(18-25)30(31,32)33)19-37-15-13-36(2)14-16-37/h3-10,17-18,20H,13-16,19H2,1-2H3,(H,35,39)
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n/an/a<20n/an/an/an/an/an/a



OBSHCHESTVO S OGRANICHENNOY OTVETSTVENNOSTYOU “FUSION PHARMA”

US Patent


Assay Description
Kinase activity and inhibition was measured by established protocols (see e.g. Braunwalder et al., A Solid-Phase Assay for the Determination of Prote...

US Patent US9522910 (2016)


BindingDB Entry DOI: 10.7270/Q2542MHG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))		BDBM260156
PNG
(US9522910, Table 1 Compound 6: 3-{2-[2-methyl-5-({...)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3nnc4cc(cnn34)C(O)=O)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C29H26F3N7O3/c1-18-3-4-20(13-19(18)6-8-25-35-36-26-14-22(28(41)42)16-33-39(25)26)27(40)34-23-7-5-21(24(15-23)29(30,31)32)17-38-11-9-37(2)10-12-38/h3-5,7,13-16H,9-12,17H2,1-2H3,(H,34,40)(H,41,42)
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OBSHCHESTVO S OGRANICHENNOY OTVETSTVENNOSTYOU “FUSION PHARMA”

US Patent


Assay Description
Kinase activity and inhibition was measured by established protocols (see e.g. Braunwalder et al., A Solid-Phase Assay for the Determination of Prote...

US Patent US9522910 (2016)


BindingDB Entry DOI: 10.7270/Q2542MHG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1 [T315I]


(Homo sapiens (Human))		BDBM260153
PNG
(US9522910, Table 1 Compound 3: 3-{2-[2-methyl-5-({...)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3nnc4cc(ccn34)C(O)=O)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C30H27F3N6O3/c1-19-3-4-21(15-20(19)6-8-26-35-36-27-16-22(29(41)42)9-10-39(26)27)28(40)34-24-7-5-23(25(17-24)30(31,32)33)18-38-13-11-37(2)12-14-38/h3-5,7,9-10,15-17H,11-14,18H2,1-2H3,(H,34,40)(H,41,42)
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OBSHCHESTVO S OGRANICHENNOY OTVETSTVENNOSTYOU “FUSION PHARMA”

US Patent


Assay Description
Kinase activity and inhibition was measured by established protocols (see e.g. Braunwalder et al., A Solid-Phase Assay for the Determination of Prote...

US Patent US9522910 (2016)


BindingDB Entry DOI: 10.7270/Q2542MHG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1 [T315I]


(Homo sapiens (Human))		BDBM260156
PNG
(US9522910, Table 1 Compound 6: 3-{2-[2-methyl-5-({...)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3nnc4cc(cnn34)C(O)=O)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C29H26F3N7O3/c1-18-3-4-20(13-19(18)6-8-25-35-36-26-14-22(28(41)42)16-33-39(25)26)27(40)34-23-7-5-21(24(15-23)29(30,31)32)17-38-11-9-37(2)10-12-38/h3-5,7,13-16H,9-12,17H2,1-2H3,(H,34,40)(H,41,42)
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OBSHCHESTVO S OGRANICHENNOY OTVETSTVENNOSTYOU “FUSION PHARMA”

US Patent


Assay Description
Kinase activity and inhibition was measured by established protocols (see e.g. Braunwalder et al., A Solid-Phase Assay for the Determination of Prote...

US Patent US9522910 (2016)


BindingDB Entry DOI: 10.7270/Q2542MHG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))		BDBM260153
PNG
(US9522910, Table 1 Compound 3: 3-{2-[2-methyl-5-({...)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3nnc4cc(ccn34)C(O)=O)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C30H27F3N6O3/c1-19-3-4-21(15-20(19)6-8-26-35-36-27-16-22(29(41)42)9-10-39(26)27)28(40)34-24-7-5-23(25(17-24)30(31,32)33)18-38-13-11-37(2)12-14-38/h3-5,7,9-10,15-17H,11-14,18H2,1-2H3,(H,34,40)(H,41,42)
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OBSHCHESTVO S OGRANICHENNOY OTVETSTVENNOSTYOU “FUSION PHARMA”

US Patent


Assay Description
Kinase activity and inhibition was measured by established protocols (see e.g. Braunwalder et al., A Solid-Phase Assay for the Determination of Prote...

US Patent US9522910 (2016)


BindingDB Entry DOI: 10.7270/Q2542MHG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))		BDBM260155
PNG
(US9522910, Table 1 Compound 5: 4-methyl-N-{4-[(4-m...)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3nnc4cccnn34)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C28H26F3N7O/c1-19-5-6-21(16-20(19)8-10-26-35-34-25-4-3-11-32-38(25)26)27(39)33-23-9-7-22(24(17-23)28(29,30)31)18-37-14-12-36(2)13-15-37/h3-7,9,11,16-17H,12-15,18H2,1-2H3,(H,33,39)
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OBSHCHESTVO S OGRANICHENNOY OTVETSTVENNOSTYOU “FUSION PHARMA”

US Patent


Assay Description
Kinase activity and inhibition was measured by established protocols (see e.g. Braunwalder et al., A Solid-Phase Assay for the Determination of Prote...

US Patent US9522910 (2016)


BindingDB Entry DOI: 10.7270/Q2542MHG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1 [T315I]


(Homo sapiens (Human))		BDBM260151
PNG
(US9522910, Table 1 Compound 1: 4-methyl-N-{4-[(4-m...)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3nnc4ccccn34)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C29H27F3N6O/c1-20-6-7-22(17-21(20)9-11-27-35-34-26-5-3-4-12-38(26)27)28(39)33-24-10-8-23(25(18-24)29(30,31)32)19-37-15-13-36(2)14-16-37/h3-8,10,12,17-18H,13-16,19H2,1-2H3,(H,33,39)
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n/an/a<20n/an/an/an/an/an/a



OBSHCHESTVO S OGRANICHENNOY OTVETSTVENNOSTYOU “FUSION PHARMA”

US Patent


Assay Description
Kinase activity and inhibition was measured by established protocols (see e.g. Braunwalder et al., A Solid-Phase Assay for the Determination of Prote...

US Patent US9522910 (2016)


BindingDB Entry DOI: 10.7270/Q2542MHG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))		BDBM260154
PNG
(US9522910, Table 1 Compound 4: 3-{2-[2-methyl-5-({...)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3nnc4cc(ccn34)C(N)=O)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C30H28F3N7O2/c1-19-3-4-22(15-20(19)6-8-26-36-37-27-16-21(28(34)41)9-10-40(26)27)29(42)35-24-7-5-23(25(17-24)30(31,32)33)18-39-13-11-38(2)12-14-39/h3-5,7,9-10,15-17H,11-14,18H2,1-2H3,(H2,34,41)(H,35,42)
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n/an/a<20n/an/an/an/an/an/a



OBSHCHESTVO S OGRANICHENNOY OTVETSTVENNOSTYOU “FUSION PHARMA”

US Patent


Assay Description
Kinase activity and inhibition was measured by established protocols (see e.g. Braunwalder et al., A Solid-Phase Assay for the Determination of Prote...

US Patent US9522910 (2016)


BindingDB Entry DOI: 10.7270/Q2542MHG
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%