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USPatent US9556147

Compile data set for download or QSAR
Found 7 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 BTK


(Homo sapiens (Human))		BDBM205093
PNG
(US9556147, 2)
Show SMILES CN1CCC[C@H]1c1ccc(Nc2cc-3c(CC(O)Cc4c-3cccc4-n3ncc4cc(cc(F)c4c3=O)C(C)(C)C)n(C)c2=O)nc1 |r|
Show InChI InChI=1S/C37H39FN6O3/c1-37(2,3)23-14-22-20-40-44(36(47)34(22)28(38)15-23)31-9-6-8-25-26(31)16-24(45)17-32-27(25)18-29(35(46)43(32)5)41-33-12-11-21(19-39-33)30-10-7-13-42(30)4/h6,8-9,11-12,14-15,18-20,24,30,45H,7,10,13,16-17H2,1-5H3,(H,39,41)/t24?,30-/m0/s1
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n/an/a 0.820n/an/an/an/a7.2n/a



HOFFMANN-LA INC.

US Patent


Assay Description
The assay is a capture of radioactive 33P phosphorylated product through filtration. The interactions of BTK, biotinylated SH2 peptide substrate (Src...

US Patent US9556147 (2017)


BindingDB Entry DOI: 10.7270/Q2HX1FP9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM205094
PNG
(US9556147, 3)
Show SMILES Cn1c2C[C@@H](O)Cc3c(cccc3-n3ncc4cc(cc(F)c4c3=O)C(C)(C)C)-c2cc(Nc2ccc(cn2)C(=O)N2CCOCC2)c1=O |r|
Show InChI InChI=1S/C37H37FN6O5/c1-37(2,3)23-14-22-20-40-44(36(48)33(22)28(38)15-23)30-7-5-6-25-26(30)16-24(45)17-31-27(25)18-29(35(47)42(31)4)41-32-9-8-21(19-39-32)34(46)43-10-12-49-13-11-43/h5-9,14-15,18-20,24,45H,10-13,16-17H2,1-4H3,(H,39,41)/t24-/m0/s1
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n/an/a 0.910n/an/an/an/a7.2n/a



HOFFMANN-LA INC.

US Patent


Assay Description
The assay is a capture of radioactive 33P phosphorylated product through filtration. The interactions of BTK, biotinylated SH2 peptide substrate (Src...

US Patent US9556147 (2017)


BindingDB Entry DOI: 10.7270/Q2HX1FP9
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM205082
PNG
(US9556147, 1)
Show SMILES Cn1c2CC(O)Cc3c(cccc3-n3ncc4cc(cc(F)c4c3=O)C(C)(C)C)-c2cc(Nc2ccc(cn2)C(=O)N2CCOCC2)c1=O
Show InChI InChI=1S/C37H37FN6O5/c1-37(2,3)23-14-22-20-40-44(36(48)33(22)28(38)15-23)30-7-5-6-25-26(30)16-24(45)17-31-27(25)18-29(35(47)42(31)4)41-32-9-8-21(19-39-32)34(46)43-10-12-49-13-11-43/h5-9,14-15,18-20,24,45H,10-13,16-17H2,1-4H3,(H,39,41)
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n/an/a 0.920n/an/an/an/a7.2n/a



HOFFMANN-LA INC.

US Patent


Assay Description
The assay is a capture of radioactive 33P phosphorylated product through filtration. The interactions of BTK, biotinylated SH2 peptide substrate (Src...

US Patent US9556147 (2017)


BindingDB Entry DOI: 10.7270/Q2HX1FP9
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM205095
PNG
(US9556147, 4)
Show SMILES Cn1c2C[C@H](O)Cc3c(cccc3-n3ncc4cc(cc(F)c4c3=O)C(C)(C)C)-c2cc(Nc2ccc(cn2)C(=O)N2CCOCC2)c1=O |r|
Show InChI InChI=1S/C37H37FN6O5/c1-37(2,3)23-14-22-20-40-44(36(48)33(22)28(38)15-23)30-7-5-6-25-26(30)16-24(45)17-31-27(25)18-29(35(47)42(31)4)41-32-9-8-21(19-39-32)34(46)43-10-12-49-13-11-43/h5-9,14-15,18-20,24,45H,10-13,16-17H2,1-4H3,(H,39,41)/t24-/m1/s1
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n/an/a 1.30n/an/an/an/a7.2n/a



HOFFMANN-LA INC.

US Patent


Assay Description
The assay is a capture of radioactive 33P phosphorylated product through filtration. The interactions of BTK, biotinylated SH2 peptide substrate (Src...

US Patent US9556147 (2017)


BindingDB Entry DOI: 10.7270/Q2HX1FP9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM205097
PNG
(US9556147, 6)
Show SMILES Cn1c2C[C@@H](O)Cc3c(cccc3-n3ncc4cccc(F)c4c3=O)-c2cc(Nc2ccc(cn2)C(=O)N2CCOCC2)c1=O |r|
Show InChI InChI=1S/C33H29FN6O5/c1-38-28-15-21(41)14-23-22(5-3-7-27(23)40-33(44)30-19(18-36-40)4-2-6-25(30)34)24(28)16-26(32(38)43)37-29-9-8-20(17-35-29)31(42)39-10-12-45-13-11-39/h2-9,16-18,21,41H,10-15H2,1H3,(H,35,37)/t21-/m0/s1
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n/an/a 235n/an/an/an/a7.2n/a



HOFFMANN-LA INC.

US Patent


Assay Description
The assay is a capture of radioactive 33P phosphorylated product through filtration. The interactions of BTK, biotinylated SH2 peptide substrate (Src...

US Patent US9556147 (2017)


BindingDB Entry DOI: 10.7270/Q2HX1FP9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM205096
PNG
(US9556147, 5)
Show SMILES Cn1c2CC(O)Cc3c(cccc3-n3ncc4cccc(F)c4c3=O)-c2cc(Nc2ccc(cn2)C(=O)N2CCOCC2)c1=O
Show InChI InChI=1S/C33H29FN6O5/c1-38-28-15-21(41)14-23-22(5-3-7-27(23)40-33(44)30-19(18-36-40)4-2-6-25(30)34)24(28)16-26(32(38)43)37-29-9-8-20(17-35-29)31(42)39-10-12-45-13-11-39/h2-9,16-18,21,41H,10-15H2,1H3,(H,35,37)
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n/an/a 414n/an/an/an/a7.2n/a



HOFFMANN-LA INC.

US Patent


Assay Description
The assay is a capture of radioactive 33P phosphorylated product through filtration. The interactions of BTK, biotinylated SH2 peptide substrate (Src...

US Patent US9556147 (2017)


BindingDB Entry DOI: 10.7270/Q2HX1FP9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM205098
PNG
(US9556147, 7)
Show SMILES Cn1c2C[C@H](O)Cc3c(cccc3-n3ncc4cccc(F)c4c3=O)-c2cc(Nc2ccc(cn2)C(=O)N2CCOCC2)c1=O |r|
Show InChI InChI=1S/C33H29FN6O5/c1-38-28-15-21(41)14-23-22(5-3-7-27(23)40-33(44)30-19(18-36-40)4-2-6-25(30)34)24(28)16-26(32(38)43)37-29-9-8-20(17-35-29)31(42)39-10-12-45-13-11-39/h2-9,16-18,21,41H,10-15H2,1H3,(H,35,37)/t21-/m1/s1
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n/an/a 3.09E+3n/an/an/an/a7.2n/a



HOFFMANN-LA INC.

US Patent


Assay Description
The assay is a capture of radioactive 33P phosphorylated product through filtration. The interactions of BTK, biotinylated SH2 peptide substrate (Src...

US Patent US9556147 (2017)


BindingDB Entry DOI: 10.7270/Q2HX1FP9
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%