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Compile Data Set for Download or QSAR

Found 19769 hits of ic50 data for polymerid = 1846,50006599   
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))		BDBM50589205
PNG
(CHEMBL5174021)
Show SMILES CC(C)(N)\C=C(\C#N)C(=O)N1CCC[C@@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |r|
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n/an/a 0n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01170
BindingDB Entry DOI: 10.7270/Q2W099WG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM281761
PNG
(4-(2-acryloyl-1,2,3,4- tetrahydroisoquinolin- 5-yl...)
Show SMILES NC(=O)c1cc(F)c(-c2cccc3CN(CCc23)C(=O)C=C)c2c3cc(Cl)ccc3[nH]c12 |(.26,5.77,;-1.07,5,;-2.4,5.77,;-1.07,3.46,;.26,2.69,;.26,1.15,;1.6,.38,;-1.07,.38,;-1.07,-1.16,;-2.4,-1.92,;-2.4,-3.46,;-1.07,-4.23,;.26,-3.46,;1.6,-4.23,;2.93,-3.46,;2.93,-1.92,;1.6,-1.16,;.26,-1.92,;4.26,-4.23,;4.26,-5.77,;5.6,-3.46,;6.93,-4.23,;-2.4,1.15,;-3.87,.68,;-4.49,-.73,;-6.03,-.89,;-6.8,-2.22,;-6.93,.36,;-6.31,1.76,;-4.77,1.92,;-3.87,3.17,;-2.4,2.69,)|
Show InChI InChI=1S/C25H19ClFN3O2/c1-2-21(31)30-9-8-15-13(12-30)4-3-5-16(15)22-19(27)11-18(25(28)32)24-23(22)17-10-14(26)6-7-20(17)29-24/h2-7,10-11,29H,1,8-9,12H2,(H2,28,32)
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n/an/a 0.000260n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...

US Patent US10023534 (2018)


BindingDB Entry DOI: 10.7270/Q2WW7KQR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM281762
PNG
(4-(2-acryloyl-1,2,3,4- tetrahydroisoquinolin- 5-yl...)
Show SMILES NC(=O)c1cc(Cl)c(-c2cccc3CN(CCc23)C(=O)C=C)c2c3ccccc3[nH]c12 |(.26,5.77,;-1.07,5,;-2.4,5.77,;-1.07,3.46,;.26,2.69,;.26,1.15,;1.6,.38,;-1.07,.38,;-1.07,-1.16,;-2.4,-1.92,;-2.4,-3.46,;-1.07,-4.23,;.26,-3.46,;1.6,-4.23,;2.93,-3.46,;2.93,-1.92,;1.6,-1.16,;.26,-1.92,;4.26,-4.23,;4.26,-5.77,;5.6,-3.46,;6.93,-4.23,;-2.4,1.15,;-3.87,.68,;-4.49,-.73,;-6.03,-.89,;-6.93,.36,;-6.31,1.76,;-4.77,1.92,;-3.87,3.17,;-2.4,2.69,)|
Show InChI InChI=1S/C25H20ClN3O2/c1-2-21(30)29-11-10-15-14(13-29)6-5-8-16(15)22-19(26)12-18(25(27)31)24-23(22)17-7-3-4-9-20(17)28-24/h2-9,12,28H,1,10-11,13H2,(H2,27,31)
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n/an/a 0.000300n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...

US Patent US10023534 (2018)


BindingDB Entry DOI: 10.7270/Q2WW7KQR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM281763
PNG
(9-(2-acryloyl-1,2,3,4- tetrahydroisoquinolin- 5-yl...)
Show SMILES NC(=O)c1cc(F)c(-c2cccc3CN(CCc23)C(=O)C=C)c2c3cnccc3[nH]c12 |(.26,5.77,;-1.07,5,;-2.4,5.77,;-1.07,3.46,;.26,2.69,;.26,1.15,;1.6,.38,;-1.07,.38,;-1.07,-1.16,;-2.4,-1.92,;-2.4,-3.46,;-1.07,-4.23,;.26,-3.46,;1.6,-4.23,;2.93,-3.46,;2.93,-1.92,;1.6,-1.16,;.26,-1.92,;4.26,-4.23,;4.26,-5.77,;5.6,-3.46,;6.93,-4.23,;-2.4,1.15,;-3.87,.68,;-4.49,-.73,;-6.03,-.89,;-6.93,.36,;-6.31,1.76,;-4.77,1.92,;-3.87,3.17,;-2.4,2.69,)|
Show InChI InChI=1S/C24H19FN4O2/c1-2-20(30)29-9-7-14-13(12-29)4-3-5-15(14)21-18(25)10-16(24(26)31)23-22(21)17-11-27-8-6-19(17)28-23/h2-6,8,10-11,28H,1,7,9,12H2,(H2,26,31)
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n/an/a 0.000300n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...

US Patent US10023534 (2018)


BindingDB Entry DOI: 10.7270/Q2WW7KQR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM281764
PNG
(5-(2-acryloyl-1,2,3,4- tetrahydroisoquinolin- 5-yl...)
Show SMILES NC(=O)c1cc(Cl)c(-c2cccc3CN(CCc23)C(=O)C=C)c2c3CCCCc3[nH]c12 |(.26,5.77,;-1.07,5,;-2.4,5.77,;-1.07,3.46,;.26,2.69,;.26,1.15,;1.6,.38,;-1.07,.38,;-1.07,-1.16,;-2.4,-1.92,;-2.4,-3.46,;-1.07,-4.23,;.26,-3.46,;1.6,-4.23,;2.93,-3.46,;2.93,-1.92,;1.6,-1.16,;.26,-1.92,;4.26,-4.23,;4.26,-5.77,;5.6,-3.46,;6.93,-4.23,;-2.4,1.15,;-3.87,.68,;-4.49,-.73,;-6.03,-.89,;-6.93,.36,;-6.31,1.76,;-4.77,1.92,;-3.87,3.17,;-2.4,2.69,)|
Show InChI InChI=1S/C25H24ClN3O2/c1-2-21(30)29-11-10-15-14(13-29)6-5-8-16(15)22-19(26)12-18(25(27)31)24-23(22)17-7-3-4-9-20(17)28-24/h2,5-6,8,12,28H,1,3-4,7,9-11,13H2,(H2,27,31)
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n/an/a 0.000600n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...

US Patent US10023534 (2018)


BindingDB Entry DOI: 10.7270/Q2WW7KQR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM50546172
PNG
(CHEMBL4762397)
Show SMILES CN(Cc1c[nH]c2ncnc(-c3cccc(NC(=O)c4ccc(cc4)C(C)(C)C)c3C)c12)C(=O)C=C
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n/an/a 0.0140n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length human unphosphorylated BTK using FITC-Ahx-TSELKKVVALYDYMPMNAND-NH2 as substrate incubated for 60 mins in presence of ATP at...

Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00317
BindingDB Entry DOI: 10.7270/Q20K2D40
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM281758
PNG
(4-(2-acryloyl-1,2,3,4- tetrahydroisoquinolin- 5-yl...)
Show SMILES NC(=O)c1cc(F)c(-c2cccc3CN(CCc23)C(=O)C=C)c2c3ccc(CCF)cc3[nH]c12 |(1.95,5.77,;.62,5,;-.72,5.77,;.62,3.46,;1.95,2.69,;1.95,1.15,;3.28,.38,;.62,.38,;.62,-1.16,;-.72,-1.92,;-.72,-3.46,;.62,-4.23,;1.95,-3.46,;3.28,-4.23,;4.62,-3.46,;4.62,-1.92,;3.28,-1.16,;1.95,-1.92,;5.95,-4.23,;5.95,-5.77,;7.28,-3.46,;8.62,-4.23,;-.72,1.15,;-2.18,.68,;-2.81,-.73,;-4.34,-.89,;-5.24,.36,;-6.73,-.04,;-7.13,-1.53,;-8.62,-1.93,;-4.62,1.76,;-3.09,1.92,;-2.18,3.17,;-.72,2.69,)|
Show InChI InChI=1S/C27H23F2N3O2/c1-2-23(33)32-11-9-17-16(14-32)4-3-5-18(17)24-21(29)13-20(27(30)34)26-25(24)19-7-6-15(8-10-28)12-22(19)31-26/h2-7,12-13,31H,1,8-11,14H2,(H2,30,34)
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n/an/a 0.0290n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...

US Patent US10023534 (2018)


BindingDB Entry DOI: 10.7270/Q2WW7KQR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM165511
PNG
(US10604504, Example 168 | US11623921, Example 168 ...)
Show SMILES Cc1[nH]c2c(cc(F)c(N3CC4CCN(C4C3)C(=O)C=C)c2c1C)C(N)=O
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TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2X06C0T
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM165960
PNG
(US10604504, Example 206 | US11623921, Example 206 ...)
Show SMILES Cc1[nH]c2c(cc(F)c(-c3cccc4CCN(Cc34)C(=O)C=C)c2c1C)C(N)=O |(-6.62,1.15,;-5.08,1.15,;-4.18,2.4,;-2.71,1.93,;-1.38,2.69,;-.05,1.93,;-.05,.38,;1.29,-.38,;-1.38,-.38,;-1.38,-1.93,;-2.71,-2.69,;-2.71,-4.23,;-1.38,-5,;-.05,-4.23,;1.29,-5,;2.62,-4.23,;2.62,-2.69,;1.29,-1.93,;-.05,-2.69,;3.96,-1.93,;3.96,-.38,;5.29,-2.69,;6.62,-1.93,;-2.71,.38,;-4.18,-.09,;-4.63,-1.42,;-1.38,4.23,;-.05,5,;-2.71,5,)|
Show InChI InChI=1S/C23H22FN3O2/c1-4-19(28)27-9-8-14-6-5-7-15(17(14)11-27)21-18(24)10-16(23(25)29)22-20(21)12(2)13(3)26-22/h4-7,10,26H,1,8-9,11H2,2-3H3,(H2,25,29)
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n/an/a 0.0400n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...

US Patent US9688629 (2017)


BindingDB Entry DOI: 10.7270/Q20863G5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM165960
PNG
(US10604504, Example 206 | US11623921, Example 206 ...)
Show SMILES Cc1[nH]c2c(cc(F)c(-c3cccc4CCN(Cc34)C(=O)C=C)c2c1C)C(N)=O |(-6.62,1.15,;-5.08,1.15,;-4.18,2.4,;-2.71,1.93,;-1.38,2.69,;-.05,1.93,;-.05,.38,;1.29,-.38,;-1.38,-.38,;-1.38,-1.93,;-2.71,-2.69,;-2.71,-4.23,;-1.38,-5,;-.05,-4.23,;1.29,-5,;2.62,-4.23,;2.62,-2.69,;1.29,-1.93,;-.05,-2.69,;3.96,-1.93,;3.96,-.38,;5.29,-2.69,;6.62,-1.93,;-2.71,.38,;-4.18,-.09,;-4.63,-1.42,;-1.38,4.23,;-.05,5,;-2.71,5,)|
Show InChI InChI=1S/C23H22FN3O2/c1-4-19(28)27-9-8-14-6-5-7-15(17(14)11-27)21-18(24)10-16(23(25)29)22-20(21)12(2)13(3)26-22/h4-7,10,26H,1,8-9,11H2,2-3H3,(H2,25,29)
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TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2X06C0T
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM165511
PNG
(US10604504, Example 168 | US11623921, Example 168 ...)
Show SMILES Cc1[nH]c2c(cc(F)c(N3CC4CCN(C4C3)C(=O)C=C)c2c1C)C(N)=O
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n/an/a 0.0400n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...

US Patent US9688629 (2017)


BindingDB Entry DOI: 10.7270/Q20863G5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM165960
PNG
(US10604504, Example 206 | US11623921, Example 206 ...)
Show SMILES Cc1[nH]c2c(cc(F)c(-c3cccc4CCN(Cc34)C(=O)C=C)c2c1C)C(N)=O |(-6.62,1.15,;-5.08,1.15,;-4.18,2.4,;-2.71,1.93,;-1.38,2.69,;-.05,1.93,;-.05,.38,;1.29,-.38,;-1.38,-.38,;-1.38,-1.93,;-2.71,-2.69,;-2.71,-4.23,;-1.38,-5,;-.05,-4.23,;1.29,-5,;2.62,-4.23,;2.62,-2.69,;1.29,-1.93,;-.05,-2.69,;3.96,-1.93,;3.96,-.38,;5.29,-2.69,;6.62,-1.93,;-2.71,.38,;-4.18,-.09,;-4.63,-1.42,;-1.38,4.23,;-.05,5,;-2.71,5,)|
Show InChI InChI=1S/C23H22FN3O2/c1-4-19(28)27-9-8-14-6-5-7-15(17(14)11-27)21-18(24)10-16(23(25)29)22-20(21)12(2)13(3)26-22/h4-7,10,26H,1,8-9,11H2,2-3H3,(H2,25,29)
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Bristol-Myers Squibb Company

US Patent


Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...

US Patent US9802915 (2017)


BindingDB Entry DOI: 10.7270/Q2JW8H17
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM165511
PNG
(US10604504, Example 168 | US11623921, Example 168 ...)
Show SMILES Cc1[nH]c2c(cc(F)c(N3CC4CCN(C4C3)C(=O)C=C)c2c1C)C(N)=O
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Bristol-Myers Squibb Company

US Patent


Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...

US Patent US9802915 (2017)


BindingDB Entry DOI: 10.7270/Q2JW8H17
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM165960
PNG
(US10604504, Example 206 | US11623921, Example 206 ...)
Show SMILES Cc1[nH]c2c(cc(F)c(-c3cccc4CCN(Cc34)C(=O)C=C)c2c1C)C(N)=O |(-6.62,1.15,;-5.08,1.15,;-4.18,2.4,;-2.71,1.93,;-1.38,2.69,;-.05,1.93,;-.05,.38,;1.29,-.38,;-1.38,-.38,;-1.38,-1.93,;-2.71,-2.69,;-2.71,-4.23,;-1.38,-5,;-.05,-4.23,;1.29,-5,;2.62,-4.23,;2.62,-2.69,;1.29,-1.93,;-.05,-2.69,;3.96,-1.93,;3.96,-.38,;5.29,-2.69,;6.62,-1.93,;-2.71,.38,;-4.18,-.09,;-4.63,-1.42,;-1.38,4.23,;-.05,5,;-2.71,5,)|
Show InChI InChI=1S/C23H22FN3O2/c1-4-19(28)27-9-8-14-6-5-7-15(17(14)11-27)21-18(24)10-16(23(25)29)22-20(21)12(2)13(3)26-22/h4-7,10,26H,1,8-9,11H2,2-3H3,(H2,25,29)
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n/an/a 0.0400n/an/an/an/an/an/a



Montana State University



Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...

J Med Chem 50: 4928-38 (2007)


BindingDB Entry DOI: 10.7270/Q2474D50
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM165511
PNG
(US10604504, Example 168 | US11623921, Example 168 ...)
Show SMILES Cc1[nH]c2c(cc(F)c(N3CC4CCN(C4C3)C(=O)C=C)c2c1C)C(N)=O
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n/an/a 0.0400n/an/an/an/an/an/a



Montana State University



Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...

J Med Chem 50: 4928-38 (2007)


BindingDB Entry DOI: 10.7270/Q2474D50
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM165960
PNG
(US10604504, Example 206 | US11623921, Example 206 ...)
Show SMILES Cc1[nH]c2c(cc(F)c(-c3cccc4CCN(Cc34)C(=O)C=C)c2c1C)C(N)=O |(-6.62,1.15,;-5.08,1.15,;-4.18,2.4,;-2.71,1.93,;-1.38,2.69,;-.05,1.93,;-.05,.38,;1.29,-.38,;-1.38,-.38,;-1.38,-1.93,;-2.71,-2.69,;-2.71,-4.23,;-1.38,-5,;-.05,-4.23,;1.29,-5,;2.62,-4.23,;2.62,-2.69,;1.29,-1.93,;-.05,-2.69,;3.96,-1.93,;3.96,-.38,;5.29,-2.69,;6.62,-1.93,;-2.71,.38,;-4.18,-.09,;-4.63,-1.42,;-1.38,4.23,;-.05,5,;-2.71,5,)|
Show InChI InChI=1S/C23H22FN3O2/c1-4-19(28)27-9-8-14-6-5-7-15(17(14)11-27)21-18(24)10-16(23(25)29)22-20(21)12(2)13(3)26-22/h4-7,10,26H,1,8-9,11H2,2-3H3,(H2,25,29)
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Bristol-Myers Squibb Company

US Patent


Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...

US Patent US10604504 (2020)


BindingDB Entry DOI: 10.7270/Q2H70JT2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM165511
PNG
(US10604504, Example 168 | US11623921, Example 168 ...)
Show SMILES Cc1[nH]c2c(cc(F)c(N3CC4CCN(C4C3)C(=O)C=C)c2c1C)C(N)=O
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Bristol-Myers Squibb Company

US Patent


Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...

US Patent US10604504 (2020)


BindingDB Entry DOI: 10.7270/Q2H70JT2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM281750
PNG
(5-(2-Acryloyl-1,2,3,4-tetrahydroisoquinolin-5-yl)-...)
Show SMILES CC(C)(O)[C@H]1CCc2c(C1)[nH]c1c(cc(F)c(-c3cccc4CN(CCc34)C(=O)C=C)c21)C(N)=O |r,wD:4.3,(-6.93,-1.58,;-6.93,-.04,;-8.42,-.44,;-8.02,1.05,;-5.44,.36,;-4.54,-.89,;-3.01,-.73,;-2.38,.68,;-3.29,1.92,;-4.82,1.76,;-2.38,3.17,;-.92,2.69,;.42,3.46,;1.75,2.69,;1.75,1.15,;3.08,.38,;.42,.38,;.42,-1.16,;-.92,-1.93,;-.92,-3.47,;.42,-4.24,;1.75,-3.47,;3.08,-4.24,;4.42,-3.47,;4.42,-1.93,;3.08,-1.16,;1.75,-1.93,;5.75,-4.24,;5.75,-5.78,;7.09,-3.47,;8.42,-4.24,;-.92,1.15,;.42,5,;1.75,5.78,;-.92,5.77,)|
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Bristol-Myers Squibb Company

US Patent


Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...

US Patent US10023534 (2018)


BindingDB Entry DOI: 10.7270/Q2WW7KQR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM377365
PNG
(US10266491, Example 33 | US10676434, Example 33 | ...)
Show SMILES CC(C)(O)c1ccc2c(c1)[nH]c1c(ccc(-c3cccc(NS(=O)(=O)C=C)c3)c21)C(N)=O
Show InChI InChI=1S/C24H23N3O4S/c1-4-32(30,31)27-16-7-5-6-14(12-16)17-10-11-19(23(25)28)22-21(17)18-9-8-15(24(2,3)29)13-20(18)26-22/h4-13,26-27,29H,1H2,2-3H3,(H2,25,28)
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Bristol-Myers Squibb Company

US Patent


Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...

US Patent US10676434 (2020)


BindingDB Entry DOI: 10.7270/Q2CN76Z8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM377365
PNG
(US10266491, Example 33 | US10676434, Example 33 | ...)
Show SMILES CC(C)(O)c1ccc2c(c1)[nH]c1c(ccc(-c3cccc(NS(=O)(=O)C=C)c3)c21)C(N)=O
Show InChI InChI=1S/C24H23N3O4S/c1-4-32(30,31)27-16-7-5-6-14(12-16)17-10-11-19(23(25)28)22-21(17)18-9-8-15(24(2,3)29)13-20(18)26-22/h4-13,26-27,29H,1H2,2-3H3,(H2,25,28)
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Curacyte Chemistry GmbH



Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...

J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q26112M3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM377365
PNG
(US10266491, Example 33 | US10676434, Example 33 | ...)
Show SMILES CC(C)(O)c1ccc2c(c1)[nH]c1c(ccc(-c3cccc(NS(=O)(=O)C=C)c3)c21)C(N)=O
Show InChI InChI=1S/C24H23N3O4S/c1-4-32(30,31)27-16-7-5-6-14(12-16)17-10-11-19(23(25)28)22-21(17)18-9-8-15(24(2,3)29)13-20(18)26-22/h4-13,26-27,29H,1H2,2-3H3,(H2,25,28)
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TBA

Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 ATP (20 and...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2HT2SG3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM377392
PNG
(US10266491, Example 60)
Show SMILES Cc1c(NC(=O)C=C)cccc1-c1c(Cl)cc(C(N)=O)c2[nH]c3CC(CCc3c12)C(C)(C)O |(3.75,-1.93,;2.42,-2.69,;2.42,-4.23,;3.75,-5,;5.09,-4.23,;5.09,-2.69,;6.42,-5,;7.75,-4.23,;1.08,-5,;-.25,-4.23,;-.25,-2.69,;1.08,-1.93,;1.08,-.38,;2.42,.38,;3.75,-.38,;2.42,1.93,;1.08,2.69,;1.08,4.23,;2.42,5,;-.25,5,;-.25,1.93,;-1.71,2.4,;-2.62,1.15,;-4.15,.99,;-4.78,-.41,;-3.87,-1.66,;-2.34,-1.5,;-1.71,-.09,;-.25,.38,;-6.26,-.81,;-7.75,-.41,;-6.73,.73,;-6.66,-2.3,)|
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Curacyte Chemistry GmbH



Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...

J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q26112M3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM377391
PNG
(US10266491, Example 59 | US10676434, Example 60 | ...)
Show SMILES Cc1c(NC(=O)C=C)cccc1-c1c(Cl)cc(C(N)=O)c2[nH]c3CC(CCc3c12)C(C)(C)O |(3.75,-1.93,;2.42,-2.69,;2.42,-4.23,;3.75,-5,;5.09,-4.23,;5.09,-2.69,;6.42,-5,;7.75,-4.23,;1.08,-5,;-.25,-4.23,;-.25,-2.69,;1.08,-1.93,;1.08,-.38,;2.42,.38,;3.75,-.38,;2.42,1.93,;1.08,2.69,;1.08,4.23,;2.42,5,;-.25,5,;-.25,1.93,;-1.71,2.4,;-2.62,1.15,;-4.15,.99,;-4.78,-.41,;-3.87,-1.66,;-2.34,-1.5,;-1.71,-.09,;-.25,.38,;-6.26,-.81,;-6.26,.73,;-7.75,-.41,;-6.66,-2.3,)|
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Bristol-Myers Squibb Company

US Patent


Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...

US Patent US10676434 (2020)


BindingDB Entry DOI: 10.7270/Q2CN76Z8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM377391
PNG
(US10266491, Example 59 | US10676434, Example 60 | ...)
Show SMILES Cc1c(NC(=O)C=C)cccc1-c1c(Cl)cc(C(N)=O)c2[nH]c3CC(CCc3c12)C(C)(C)O |(3.75,-1.93,;2.42,-2.69,;2.42,-4.23,;3.75,-5,;5.09,-4.23,;5.09,-2.69,;6.42,-5,;7.75,-4.23,;1.08,-5,;-.25,-4.23,;-.25,-2.69,;1.08,-1.93,;1.08,-.38,;2.42,.38,;3.75,-.38,;2.42,1.93,;1.08,2.69,;1.08,4.23,;2.42,5,;-.25,5,;-.25,1.93,;-1.71,2.4,;-2.62,1.15,;-4.15,.99,;-4.78,-.41,;-3.87,-1.66,;-2.34,-1.5,;-1.71,-.09,;-.25,.38,;-6.26,-.81,;-6.26,.73,;-7.75,-.41,;-6.66,-2.3,)|
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TBA

Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 ATP (20 and...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2HT2SG3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM377413
PNG
(US10266491, Example 95 | US10676434, Example 95 | ...)
Show SMILES NC(=O)c1cc(F)c(-c2ccc3CCN(C(=O)C=C)c3c2)c2c3ccccc3[nH]c12
Show InChI InChI=1S/C24H18FN3O2/c1-2-20(29)28-10-9-13-7-8-14(11-19(13)28)21-17(25)12-16(24(26)30)23-22(21)15-5-3-4-6-18(15)27-23/h2-8,11-12,27H,1,9-10H2,(H2,26,30)
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Curacyte Chemistry GmbH



Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...

J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q26112M3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM377413
PNG
(US10266491, Example 95 | US10676434, Example 95 | ...)
Show SMILES NC(=O)c1cc(F)c(-c2ccc3CCN(C(=O)C=C)c3c2)c2c3ccccc3[nH]c12
Show InChI InChI=1S/C24H18FN3O2/c1-2-20(29)28-10-9-13-7-8-14(11-19(13)28)21-17(25)12-16(24(26)30)23-22(21)15-5-3-4-6-18(15)27-23/h2-8,11-12,27H,1,9-10H2,(H2,26,30)
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Bristol-Myers Squibb Company

US Patent


Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...

US Patent US10676434 (2020)


BindingDB Entry DOI: 10.7270/Q2CN76Z8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM377413
PNG
(US10266491, Example 95 | US10676434, Example 95 | ...)
Show SMILES NC(=O)c1cc(F)c(-c2ccc3CCN(C(=O)C=C)c3c2)c2c3ccccc3[nH]c12
Show InChI InChI=1S/C24H18FN3O2/c1-2-20(29)28-10-9-13-7-8-14(11-19(13)28)21-17(25)12-16(24(26)30)23-22(21)15-5-3-4-6-18(15)27-23/h2-8,11-12,27H,1,9-10H2,(H2,26,30)
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TBA

Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 ATP (20 and...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2HT2SG3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM165458
PNG
(US10604504, Example 136 | US11623921, Example 136 ...)
Show SMILES Cc1[nH]c2c(cc(F)c(N3CCC[C@@H](C3)NC(=O)C#CC3CC3)c2c1C)C(N)=O |r|
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TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2X06C0T
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM165458
PNG
(US10604504, Example 136 | US11623921, Example 136 ...)
Show SMILES Cc1[nH]c2c(cc(F)c(N3CCC[C@@H](C3)NC(=O)C#CC3CC3)c2c1C)C(N)=O |r|
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Bristol-Myers Squibb Company

US Patent


Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...

US Patent US9688629 (2017)


BindingDB Entry DOI: 10.7270/Q20863G5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM166569
PNG
(US10604504, Example 219 | US11623921, Example 219 ...)
Show SMILES Cc1[nH]c2c(cc(F)c(C3CCCN(C3)C(=O)C=C)c2c1C)C(N)=O
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Bristol-Myers Squibb Company

US Patent


Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...

US Patent US9688629 (2017)


BindingDB Entry DOI: 10.7270/Q20863G5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM340036
PNG
(1-(3-chloro-2,6-difluorophenyl)-3-(3-fluoro- 4-(7-...)
Show SMILES Cc1cnc([nH]1)-c1ccc(c2CNC(=O)c12)-c1ccc(NC(=O)Nc2c(F)ccc(Cl)c2F)cc1F
Show InChI InChI=1S/C25H17ClF3N5O2/c1-11-9-30-23(32-11)15-5-4-13(16-10-31-24(35)20(15)16)14-3-2-12(8-19(14)28)33-25(36)34-22-18(27)7-6-17(26)21(22)29/h2-9H,10H2,1H3,(H,30,32)(H,31,35)(H2,33,34,36)
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CrystalGenomics, Inc.

US Patent


Assay Description
In order to evaluate the activity of the compounds of the present invention as a BTK inhibitor, commercially available BTK (Promega) was used for thi...

US Patent US9758508 (2017)


BindingDB Entry DOI: 10.7270/Q2W37ZDB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM165458
PNG
(US10604504, Example 136 | US11623921, Example 136 ...)
Show SMILES Cc1[nH]c2c(cc(F)c(N3CCC[C@@H](C3)NC(=O)C#CC3CC3)c2c1C)C(N)=O |r|
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Bristol-Myers Squibb Company

US Patent


Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...

US Patent US9802915 (2017)


BindingDB Entry DOI: 10.7270/Q2JW8H17
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM377467
PNG
(4-(1-acryloyl-1,2,5,6- tetrahydropyridin-3-yl)-3- ...)
Show SMILES NC(=O)c1cc(F)c(C2=CCCN(C2)C(=O)C=C)c2c3ccc(cc3[nH]c12)C(F)(F)F |t:8|
Show InChI InChI=1S/C22H17F4N3O2/c1-2-17(30)29-7-3-4-11(10-29)18-15(23)9-14(21(27)31)20-19(18)13-6-5-12(22(24,25)26)8-16(13)28-20/h2,4-6,8-9,28H,1,3,7,10H2,(H2,27,31)
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Curacyte Chemistry GmbH



Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...

J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q26112M3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM377415
PNG
(US10266491, Example 97 | US10266491, Example 98 | ...)
Show SMILES NC(=O)c1cc(F)c(C2CCCN(C2)C(=O)C=C)c2c3ccccc3[nH]c12
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Curacyte Chemistry GmbH



Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...

J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q26112M3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM165458
PNG
(US10604504, Example 136 | US11623921, Example 136 ...)
Show SMILES Cc1[nH]c2c(cc(F)c(N3CCC[C@@H](C3)NC(=O)C#CC3CC3)c2c1C)C(N)=O |r|
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Montana State University



Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...

J Med Chem 50: 4928-38 (2007)


BindingDB Entry DOI: 10.7270/Q2474D50
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM165458
PNG
(US10604504, Example 136 | US11623921, Example 136 ...)
Show SMILES Cc1[nH]c2c(cc(F)c(N3CCC[C@@H](C3)NC(=O)C#CC3CC3)c2c1C)C(N)=O |r|
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Bristol-Myers Squibb Company

US Patent


Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...

US Patent US10604504 (2020)


BindingDB Entry DOI: 10.7270/Q2H70JT2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM340036
PNG
(1-(3-chloro-2,6-difluorophenyl)-3-(3-fluoro- 4-(7-...)
Show SMILES Cc1cnc([nH]1)-c1ccc(c2CNC(=O)c12)-c1ccc(NC(=O)Nc2c(F)ccc(Cl)c2F)cc1F
Show InChI InChI=1S/C25H17ClF3N5O2/c1-11-9-30-23(32-11)15-5-4-13(16-10-31-24(35)20(15)16)14-3-2-12(8-19(14)28)33-25(36)34-22-18(27)7-6-17(26)21(22)29/h2-9H,10H2,1H3,(H,30,32)(H,31,35)(H2,33,34,36)
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CrystalGenomics, Inc.

US Patent


Assay Description
In order to evaluate the activity of the compounds of the present invention as a BTK inhibitor, commercially available BTK (Promega) was used for thi...

US Patent US10604508 (2020)


BindingDB Entry DOI: 10.7270/Q2CF9T4N
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM377467
PNG
(4-(1-acryloyl-1,2,5,6- tetrahydropyridin-3-yl)-3- ...)
Show SMILES NC(=O)c1cc(F)c(C2=CCCN(C2)C(=O)C=C)c2c3ccc(cc3[nH]c12)C(F)(F)F |t:8|
Show InChI InChI=1S/C22H17F4N3O2/c1-2-17(30)29-7-3-4-11(10-29)18-15(23)9-14(21(27)31)20-19(18)13-6-5-12(22(24,25)26)8-16(13)28-20/h2,4-6,8-9,28H,1,3,7,10H2,(H2,27,31)
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Bristol-Myers Squibb Company

US Patent


Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...

US Patent US10676434 (2020)


BindingDB Entry DOI: 10.7270/Q2CN76Z8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM340036
PNG
(1-(3-chloro-2,6-difluorophenyl)-3-(3-fluoro- 4-(7-...)
Show SMILES Cc1cnc([nH]1)-c1ccc(c2CNC(=O)c12)-c1ccc(NC(=O)Nc2c(F)ccc(Cl)c2F)cc1F
Show InChI InChI=1S/C25H17ClF3N5O2/c1-11-9-30-23(32-11)15-5-4-13(16-10-31-24(35)20(15)16)14-3-2-12(8-19(14)28)33-25(36)34-22-18(27)7-6-17(26)21(22)29/h2-9H,10H2,1H3,(H,30,32)(H,31,35)(H2,33,34,36)
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TBA

Assay Description
In order to evaluate the activity of the compounds of the present invention as a BTK inhibitor, commercially available BTK (Promega) was used for thi...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2PV6PJ5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM377415
PNG
(US10266491, Example 97 | US10266491, Example 98 | ...)
Show SMILES NC(=O)c1cc(F)c(C2CCCN(C2)C(=O)C=C)c2c3ccccc3[nH]c12
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TBA

Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 ATP (20 and...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2HT2SG3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM377467
PNG
(4-(1-acryloyl-1,2,5,6- tetrahydropyridin-3-yl)-3- ...)
Show SMILES NC(=O)c1cc(F)c(C2=CCCN(C2)C(=O)C=C)c2c3ccc(cc3[nH]c12)C(F)(F)F |t:8|
Show InChI InChI=1S/C22H17F4N3O2/c1-2-17(30)29-7-3-4-11(10-29)18-15(23)9-14(21(27)31)20-19(18)13-6-5-12(22(24,25)26)8-16(13)28-20/h2,4-6,8-9,28H,1,3,7,10H2,(H2,27,31)
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TBA

Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 ATP (20 and...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2HT2SG3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM377415
PNG
(US10266491, Example 97 | US10266491, Example 98 | ...)
Show SMILES NC(=O)c1cc(F)c(C2CCCN(C2)C(=O)C=C)c2c3ccccc3[nH]c12
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Bristol-Myers Squibb Company

US Patent


Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...

US Patent US10676434 (2020)


BindingDB Entry DOI: 10.7270/Q2CN76Z8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM377366
PNG
(US10266491, Example 34 | US10676434, Example 34 | ...)
Show SMILES CC(C)(O)c1ccc2c(c1)[nH]c1c(cc(F)c(-c3cccc(NS(=O)(=O)C=C)c3)c21)C(N)=O
Show InChI InChI=1S/C24H22FN3O4S/c1-4-33(31,32)28-15-7-5-6-13(10-15)20-18(25)12-17(23(26)29)22-21(20)16-9-8-14(24(2,3)30)11-19(16)27-22/h4-12,27-28,30H,1H2,2-3H3,(H2,26,29)
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Bristol-Myers Squibb Company

US Patent


Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...

US Patent US10676434 (2020)


BindingDB Entry DOI: 10.7270/Q2CN76Z8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM377366
PNG
(US10266491, Example 34 | US10676434, Example 34 | ...)
Show SMILES CC(C)(O)c1ccc2c(c1)[nH]c1c(cc(F)c(-c3cccc(NS(=O)(=O)C=C)c3)c21)C(N)=O
Show InChI InChI=1S/C24H22FN3O4S/c1-4-33(31,32)28-15-7-5-6-13(10-15)20-18(25)12-17(23(26)29)22-21(20)16-9-8-14(24(2,3)30)11-19(16)27-22/h4-12,27-28,30H,1H2,2-3H3,(H2,26,29)
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Curacyte Chemistry GmbH



Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...

J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q26112M3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM377366
PNG
(US10266491, Example 34 | US10676434, Example 34 | ...)
Show SMILES CC(C)(O)c1ccc2c(c1)[nH]c1c(cc(F)c(-c3cccc(NS(=O)(=O)C=C)c3)c21)C(N)=O
Show InChI InChI=1S/C24H22FN3O4S/c1-4-33(31,32)28-15-7-5-6-13(10-15)20-18(25)12-17(23(26)29)22-21(20)16-9-8-14(24(2,3)30)11-19(16)27-22/h4-12,27-28,30H,1H2,2-3H3,(H2,26,29)
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TBA

Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 ATP (20 and...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2HT2SG3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM377404
PNG
(US10266491, Example 76 | US10676434, Example 76 | ...)
Show SMILES NC(=O)c1cc(F)c(N2CCC[C@@H](C2)NC(=O)C#CC2CC2)c2c3ccccc3[nH]c12 |r|
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Bristol-Myers Squibb Company

US Patent


Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...

US Patent US10676434 (2020)


BindingDB Entry DOI: 10.7270/Q2CN76Z8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM166569
PNG
(US10604504, Example 219 | US11623921, Example 219 ...)
Show SMILES Cc1[nH]c2c(cc(F)c(C3CCCN(C3)C(=O)C=C)c2c1C)C(N)=O
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TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2X06C0T
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM377404
PNG
(US10266491, Example 76 | US10676434, Example 76 | ...)
Show SMILES NC(=O)c1cc(F)c(N2CCC[C@@H](C2)NC(=O)C#CC2CC2)c2c3ccccc3[nH]c12 |r|
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Curacyte Chemistry GmbH



Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...

J Med Chem 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q26112M3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM377404
PNG
(US10266491, Example 76 | US10676434, Example 76 | ...)
Show SMILES NC(=O)c1cc(F)c(N2CCC[C@@H](C2)NC(=O)C#CC2CC2)c2c3ccccc3[nH]c12 |r|
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TBA

Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 ATP (20 and...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2HT2SG3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM166569
PNG
(US10604504, Example 219 | US11623921, Example 219 ...)
Show SMILES Cc1[nH]c2c(cc(F)c(C3CCCN(C3)C(=O)C=C)c2c1C)C(N)=O
PDB
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Bristol-Myers Squibb Company

US Patent


Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...

US Patent US10604504 (2020)


BindingDB Entry DOI: 10.7270/Q2H70JT2
More data for this
Ligand-Target Pair
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