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Patent code US9688629

Compile Data Set for Download or QSAR

Found 262 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM164814
PNG
(US10604504, Example 8 | US11623921, Example 8 | US...)
Show SMILES C\C=C\C(=O)Nc1cccc(c1C)-c1ccc(C(N)=O)c2[nH]c(C)cc12
Show InChI InChI=1S/C21H21N3O2/c1-4-6-19(25)24-18-8-5-7-14(13(18)3)15-9-10-16(21(22)26)20-17(15)11-12(2)23-20/h4-11,23H,1-3H3,(H2,22,26)(H,24,25)/b6-4+
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n/an/a 15n/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))
BDBM164848
PNG
(US10604504, Example 17 | US11623921, Example 17 | ...)
Show SMILES CC(=C)C(=O)Nc1cccc(c1C)-c1ccc(C(N)=O)c2[nH]c(C)c(C)c12
Show InChI InChI=1S/C22H23N3O2/c1-11(2)22(27)25-18-8-6-7-15(13(18)4)16-9-10-17(21(23)26)20-19(16)12(3)14(5)24-20/h6-10,24H,1H2,2-5H3,(H2,23,26)(H,25,27)
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n/an/a 36n/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))
BDBM165206
PNG
(US10604504, Example 32 | US11623921, Example 32 | ...)
Show SMILES CN(C(=O)C=C)c1cccc(c1F)-c1ccc(C(N)=O)c2[nH]c(C)c(C)c12
Show InChI InChI=1S/C21H20FN3O2/c1-5-17(26)25(4)16-8-6-7-14(19(16)22)13-9-10-15(21(23)27)20-18(13)11(2)12(3)24-20/h5-10,24H,1H2,2-4H3,(H2,23,27)
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n/an/a 0.420n/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))
BDBM165209
PNG
(US10604504, Example 34 | US11623921, Example 34 | ...)
Show SMILES Cc1[nH]c2c(ccc(-c3cccc(NS(=O)(=O)C=C)c3C)c2c1C)C(N)=O
Show InChI InChI=1S/C20H21N3O3S/c1-5-27(25,26)23-17-8-6-7-14(12(17)3)15-9-10-16(20(21)24)19-18(15)11(2)13(4)22-19/h5-10,22-23H,1H2,2-4H3,(H2,21,24)
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n/an/a 0.140n/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))
BDBM165233
PNG
(US10604504, Example 43 | US11623921, Example 43 | ...)
Show SMILES Cc1[nH]c2c(ccc(-c3ccnc(NC(=O)C=C)c3)c2c1C)C(N)=O
Show InChI InChI=1S/C19H18N4O2/c1-4-16(24)23-15-9-12(7-8-21-15)13-5-6-14(19(20)25)18-17(13)10(2)11(3)22-18/h4-9,22H,1H2,2-3H3,(H2,20,25)(H,21,23,24)
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n/an/a 1.70n/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))
BDBM165267
PNG
(US10604504, Example 63 | US11623921, Example 63 | ...)
Show SMILES COc1ccc(COc2cc(-c3cccc(N4Cc5ccc(cc5C4=O)C#N)c3C)c3c(C)c(C)[nH]c3c2C(N)=O)cc1
Show InChI InChI=1S/C35H30N4O4/c1-19-21(3)38-33-31(19)28(15-30(32(33)34(37)40)43-18-22-9-12-25(42-4)13-10-22)26-6-5-7-29(20(26)2)39-17-24-11-8-23(16-36)14-27(24)35(39)41/h5-15,38H,17-18H2,1-4H3,(H2,37,40)
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n/an/a 34n/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))
BDBM165274
PNG
(US10604504, Example 70 | US11623921, Example 70 | ...)
Show SMILES Cc1[nH]c2c(ccc(-c3cccc(\C=C(/C#N)S(C)(=O)=O)c3)c2c1C)C(N)=O
Show InChI InChI=1S/C21H19N3O3S/c1-12-13(2)24-20-18(21(23)25)8-7-17(19(12)20)15-6-4-5-14(9-15)10-16(11-22)28(3,26)27/h4-10,24H,1-3H3,(H2,23,25)/b16-10+
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n/an/a 11n/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))
BDBM165279
PNG
(US10604504, Example 75 | US11623921, Example 75 | ...)
Show SMILES Cc1[nH]c2c(C(N)=O)c(OCCN3CCOCC3)cc(-c3cccc(c3C)-n3cnc4ccccc4c3=O)c2c1C
Show InChI InChI=1S/C32H33N5O4/c1-19-21(3)35-30-28(19)24(17-27(29(30)31(33)38)41-16-13-36-11-14-40-15-12-36)22-8-6-10-26(20(22)2)37-18-34-25-9-5-4-7-23(25)32(37)39/h4-10,17-18,35H,11-16H2,1-3H3,(H2,33,38)
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n/an/a 260n/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))
BDBM165282
PNG
(US10604504, Example 78 | US11623921, Example 78 | ...)
Show SMILES CN(C1CCCN(C1)c1ccc(C(N)=O)c2[nH]c(C)c(C)c12)C(=O)C=C
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n/an/a 1.80n/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))
BDBM165295
PNG
(US10604504, Example 91 | US11623921, Example 91 | ...)
Show SMILES Cc1[nH]c2c(ccc(NC3CCCN(C3)C(=O)C=C)c2c1C)C(N)=O
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n/an/a 59n/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))
BDBM165307
PNG
(US10604504, Example 103 | US11623921, Example 103 ...)
Show SMILES Cc1[nH]c2c(ccc(NC3CCN(C3)C(=O)C#C)c2c1C)C(N)=O
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n/an/a 2.40n/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))
BDBM165312
PNG
(US10604504, Example 108 | US11623921, Example 108 ...)
Show SMILES CC#CC(=O)N(C)C1CCCN(C1)c1ccc(C(N)=O)c2[nH]c(C)c(C)c12
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n/an/a 3.10n/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))
BDBM165320
PNG
(US10604504, Example 116 | US11623921, Example 116 ...)
Show SMILES CC#CC(=O)N[C@H]1CCCN(C1)c1ccc(C(N)=O)c2[nH]c(C)c(C)c12 |r|
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n/an/a 0.520n/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))
BDBM165342
PNG
(US10604504, Example 129 | US11623921, Example 129 ...)
Show SMILES CC#CC(=O)N1CCc2c(C1)cccc2-c1c(F)cc(C(N)=O)c2[nH]c(C)c(C)c12 |(7.29,-1.93,;5.96,-2.69,;4.62,-3.47,;3.29,-4.23,;3.29,-5.78,;1.95,-3.47,;1.95,-1.93,;.62,-1.15,;-.71,-1.93,;-.71,-3.47,;.62,-4.23,;-2.05,-4.23,;-3.38,-3.47,;-3.38,-1.93,;-2.05,-1.15,;-2.05,.38,;-.71,1.15,;.62,.38,;-.71,2.69,;-2.05,3.47,;-2.05,5,;-.71,5.78,;-3.38,5.78,;-3.38,2.69,;-4.84,3.17,;-5.75,1.93,;-7.29,1.93,;-4.84,.68,;-5.3,-.65,;-3.38,1.15,)|
Show InChI InChI=1S/C24H22FN3O2/c1-4-6-20(29)28-10-9-16-15(12-28)7-5-8-17(16)22-19(25)11-18(24(26)30)23-21(22)13(2)14(3)27-23/h5,7-8,11,27H,9-10,12H2,1-3H3,(H2,26,30)
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n/an/a 14n/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))
BDBM165460
PNG
(US10604504, Example 138 | US11623921, Example 138 ...)
Show SMILES CN(C1CCCN(C1)c1ccc(C(N)=O)c2[nH]c(C)c(C)c12)S(=O)(=O)C=C
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n/an/a 0.930n/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))
BDBM165462
PNG
(US10604504, Example 140 | US11623921, Example 140 ...)
Show SMILES Cc1[nH]c2c(ccc(N3CCC(C3)NS(=O)(=O)C=C)c2c1C)C(N)=O
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n/an/a 3.5n/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))
BDBM165484
PNG
(US10604504, Example 149 | US11623921, Example 149 ...)
Show SMILES Cc1[nH]c2c(ccc(C3CCN(C3)C#N)c2c1C)C(N)=O
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n/an/a 60n/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))
BDBM164718
PNG
(US9688629, 161 | US9688629, 162 | US9688629, 163 |...)
Show SMILES Cc1[nH]c2c(cc(F)c(-c3cccc4N(CC5CC5c34)C(=O)C=C)c2c1C)C(N)=O |(-4.62,3.08,;-3.08,3.08,;-2.18,4.33,;-.71,3.85,;.62,4.62,;1.95,3.85,;1.95,2.31,;3.29,1.54,;.62,1.54,;.62,,;-.71,-.77,;-.71,-2.31,;.62,-3.08,;1.95,-2.31,;3.29,-3.08,;4.62,-2.31,;4.62,-.77,;4.62,.77,;3.29,,;1.95,-.77,;3.29,-4.62,;1.95,-5.39,;4.62,-5.39,;4.62,-6.93,;-.71,2.31,;-2.18,1.83,;-2.95,.5,;.62,6.16,;1.95,6.93,;-.71,6.93,)|
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n/an/a 280n/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))
BDBM165523
PNG
(US10604504, Example 172 | US11623921, Example 172 ...)
Show SMILES Cc1[nH]c2c(cc(F)c(-c3cccc4CN(CC(F)c34)C(=O)C=C)c2c1C)C(N)=O |(-6.62,1.93,;-5.08,1.93,;-4.18,3.17,;-2.71,2.69,;-1.38,3.47,;-.05,2.69,;-.05,1.15,;1.29,.38,;-1.38,.38,;-1.38,-1.15,;-2.71,-1.93,;-2.71,-3.47,;-1.38,-4.23,;-.05,-3.47,;1.29,-4.23,;2.62,-3.47,;2.62,-1.93,;1.29,-1.15,;2.06,.18,;-.05,-1.93,;3.96,-4.23,;3.96,-5.78,;5.29,-3.47,;6.62,-4.23,;-2.71,1.15,;-4.18,.68,;-4.63,-.65,;-1.38,5,;-.05,5.78,;-2.71,5.78,)|
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n/an/a 0.0800n/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))
BDBM165614
PNG
(US10604504, Example 201 | US11623921, Example 201 ...)
Show SMILES CC#CC(=O)N1CCN(CC1)c1c(F)cc(C(N)=O)c2[nH]c(C)c(C)c12
Show InChI InChI=1S/C19H21FN4O2/c1-4-5-15(25)23-6-8-24(9-7-23)18-14(20)10-13(19(21)26)17-16(18)11(2)12(3)22-17/h10,22H,6-9H2,1-3H3,(H2,21,26)
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n/an/a 260n/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))
BDBM166053
PNG
(US10604504, Example 215 | US11623921, Example 215 ...)
Show SMILES Cc1c([nH]c2c(cc(F)c(-c3cccc4CN(CCc34)C(=O)C=C)c12)C(N)=O)-c1ccc(F)cc1 |(-2.32,-.65,;-1.87,.68,;-2.77,1.93,;-1.87,3.17,;-.4,2.69,;.93,3.47,;2.26,2.69,;2.26,1.15,;3.6,.38,;.93,.38,;.93,-1.15,;-.4,-1.93,;-.4,-3.47,;.93,-4.23,;2.26,-3.47,;3.6,-4.23,;4.93,-3.47,;4.93,-1.93,;3.6,-1.15,;2.26,-1.93,;6.27,-4.23,;6.27,-5.78,;7.6,-3.47,;8.93,-4.23,;-.4,1.15,;.93,5,;2.26,5.78,;-.4,5.78,;-4.31,1.93,;-5.08,3.26,;-6.62,3.26,;-7.39,1.93,;-8.93,1.93,;-6.62,.59,;-5.08,.59,)|
Show InChI InChI=1S/C28H23F2N3O2/c1-3-23(34)33-12-11-19-17(14-33)5-4-6-20(19)25-22(30)13-21(28(31)35)27-24(25)15(2)26(32-27)16-7-9-18(29)10-8-16/h3-10,13,32H,1,11-12,14H2,2H3,(H2,31,35)
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n/an/a 0.760n/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))
BDBM166737
PNG
(US10604504, Example 221 | US11623921, Example 221 ...)
Show SMILES Cc1[nH]c2c(cc(F)c(Cc3cccc(C=C)n3)c2c1C)C(N)=O
Show InChI InChI=1S/C19H18FN3O/c1-4-12-6-5-7-13(23-12)8-14-16(20)9-15(19(21)24)18-17(14)10(2)11(3)22-18/h4-7,9,22H,1,8H2,2-3H3,(H2,21,24)
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n/an/a 11n/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))
BDBM164792
PNG
(US10604504, Example 228 | US11623921, Example 228 ...)
Show SMILES Cc1[nH]c2c(nc(C)c(-c3cccc4CN(CCc34)C(=O)C=C)c2c1C)C(N)=O |(-6.62,1.93,;-5.08,1.93,;-4.18,3.17,;-2.71,2.69,;-1.38,3.47,;-.05,2.69,;-.05,1.15,;1.29,.39,;-1.38,.38,;-1.38,-1.15,;-2.71,-1.93,;-2.71,-3.47,;-1.38,-4.23,;-.05,-3.47,;1.29,-4.23,;2.62,-3.47,;2.62,-1.93,;1.29,-1.15,;-.05,-1.93,;3.96,-4.23,;3.96,-5.78,;5.29,-3.47,;6.62,-4.23,;-2.71,1.15,;-4.18,.68,;-4.95,-.65,;-1.38,5,;-.05,5.78,;-2.71,5.78,)|
Show InChI InChI=1S/C23H24N4O2/c1-5-18(28)27-10-9-16-15(11-27)7-6-8-17(16)20-14(4)26-22(23(24)29)21-19(20)12(2)13(3)25-21/h5-8,25H,1,9-11H2,2-4H3,(H2,24,29)
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n/an/a 1.18E+3n/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))
BDBM166778
PNG
(US10604504, Example 229 | US11623921, Example 229 ...)
Show SMILES Cc1[nH]c2c(cc(C#N)c(-c3cccc4CN(CCc34)C(=O)C=C)c2c1C)C(N)=O |(-6.62,1.93,;-5.08,1.93,;-4.18,3.17,;-2.71,2.69,;-1.38,3.46,;-.05,2.69,;-.05,1.15,;1.29,.38,;2.62,-.39,;-1.38,.38,;-1.38,-1.15,;-2.71,-1.93,;-2.71,-3.47,;-1.38,-4.23,;-.05,-3.47,;1.29,-4.23,;2.62,-3.47,;2.62,-1.93,;1.29,-1.15,;-.05,-1.93,;3.96,-4.23,;3.96,-5.78,;5.29,-3.47,;6.62,-4.23,;-2.71,1.15,;-4.18,.68,;-4.95,-.65,;-1.38,5,;-.05,5.78,;-2.71,5.78,)|
Show InChI InChI=1S/C24H22N4O2/c1-4-20(29)28-9-8-17-15(12-28)6-5-7-18(17)22-16(11-25)10-19(24(26)30)23-21(22)13(2)14(3)27-23/h4-7,10,27H,1,8-9,12H2,2-3H3,(H2,26,30)
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n/an/a 0.900n/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))
BDBM166800
PNG
(US10604504, Example 235 | US11623921, Example 235 ...)
Show SMILES Cc1[nH]c2c(cc(F)c(C3C=CCN3C(=O)C=C)c2c1C)C(N)=O |c:10|
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n/an/a 0.300n/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))
BDBM166801
PNG
(US10604504, Example 236 | US11623921, Example 236 ...)
Show SMILES Cc1[nH]c2c(cc(F)c(C3=CCN(CC3)C(=O)C=C)c2c1C)C(N)=O |t:9|
Show InChI InChI=1S/C19H20FN3O2/c1-4-15(24)23-7-5-12(6-8-23)17-14(20)9-13(19(21)25)18-16(17)10(2)11(3)22-18/h4-5,9,22H,1,6-8H2,2-3H3,(H2,21,25)
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n/an/a 0.300n/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))
BDBM166857
PNG
(US10604504, Example 243 | US11623921, Example 243 ...)
Show SMILES CC#CC(=O)N[C@@H]1CCCN(C1)c1c(F)cc(C(N)=O)c2[nH]c(C)c(C)c12 |r|
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n/an/a 0.200n/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))
BDBM166891
PNG
(US10604504, Example 247 | US11623921, Example 247 ...)
Show SMILES CC#CC(=O)N1CCC2(CCN(C2)c2c(F)cc(C(N)=O)c3[nH]c(C)c(C)c23)C1
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n/an/a 0.300n/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))
BDBM167004
PNG
(US10604504, Example 248 | US11623921, Example 248 ...)
Show SMILES Cc1[nH]c2c(cc(F)c(-c3cccnc3C=C)c2c1C)C(N)=O |(-4.62,1.15,;-3.08,1.15,;-2.18,2.4,;-.71,1.93,;.62,2.69,;1.95,1.93,;1.95,.38,;3.29,-.38,;.62,-.38,;.62,-1.93,;-.71,-2.69,;-.71,-4.23,;.62,-5,;1.95,-4.23,;1.95,-2.69,;3.29,-1.93,;4.62,-2.7,;-.71,.38,;-2.18,-.09,;-2.63,-1.42,;.62,4.23,;1.95,5,;-.71,5,)|
Show InChI InChI=1S/C18H16FN3O/c1-4-14-11(6-5-7-21-14)16-13(19)8-12(18(20)23)17-15(16)9(2)10(3)22-17/h4-8,22H,1H2,2-3H3,(H2,20,23)
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n/an/a 3.60n/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))
BDBM168137
PNG
(US10604504, Example 262 | US11623921, Example 262 ...)
Show SMILES CC#CC(=O)N1CCC(Cc2c(F)cc(C(N)=O)c3[nH]c(C)c(C)c23)C1
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n/an/a 14n/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))
BDBM168138
PNG
(US11623921, Example 263 | US9688629, 263 | US98029...)
Show SMILES Cc1[nH]c2c(cc(F)c(-c3ccnc(C=C)c3F)c2c1C)C(N)=O |(-4.62,1.15,;-3.08,1.15,;-2.18,2.4,;-.71,1.93,;.62,2.69,;1.95,1.93,;1.95,.38,;3.29,-.38,;.62,-.38,;.62,-1.93,;-.71,-2.69,;-.71,-4.23,;.62,-5,;1.95,-4.23,;3.29,-5,;4.62,-4.23,;1.95,-2.69,;3.29,-1.93,;-.71,.38,;-2.18,-.09,;-2.63,-1.42,;.62,4.23,;1.95,5,;-.71,5,)|
Show InChI InChI=1S/C18H15F2N3O/c1-4-13-16(20)10(5-6-22-13)15-12(19)7-11(18(21)24)17-14(15)8(2)9(3)23-17/h4-7,23H,1H2,2-3H3,(H2,21,24)
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n/an/a 146n/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))
BDBM164794
PNG
(US10604504, Example 1 | US11623921, Example 1 | US...)
Show SMILES Cc1c[nH]c2c(ccc(-c3cccc(NC(=O)C=C)c3C)c12)C(N)=O
Show InChI InChI=1S/C20H19N3O2/c1-4-17(24)23-16-7-5-6-13(12(16)3)14-8-9-15(20(21)25)19-18(14)11(2)10-22-19/h4-10,22H,1H2,2-3H3,(H2,21,25)(H,23,24)
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n/an/a 1.20n/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))
BDBM164808
PNG
(US10604504, Example 5 | US11623921, Example 5 | US...)
Show SMILES Cc1[nH]c2c(ccc(-c3cccc(NC(=O)C=C)c3C)c2c1C)C(N)=O
Show InChI InChI=1S/C21H21N3O2/c1-5-18(25)24-17-8-6-7-14(12(17)3)15-9-10-16(21(22)26)20-19(15)11(2)13(4)23-20/h5-10,23H,1H2,2-4H3,(H2,22,26)(H,24,25)
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n/an/a 0.380n/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))
BDBM164822
PNG
(US10604504, Example 12 | US11623921, Example 12 | ...)
Show SMILES CC(C)=CC(=O)Nc1cccc(c1C)-c1ccc(C(N)=O)c2[nH]cc(C)c12 |(5.85,-5,;4.52,-4.23,;4.52,-2.69,;3.19,-5,;1.85,-4.23,;1.85,-2.69,;.52,-5,;-.82,-4.23,;-2.15,-5,;-3.48,-4.23,;-3.48,-2.69,;-2.15,-1.93,;-.82,-2.69,;.52,-1.93,;-2.15,-.38,;-.82,.38,;-.82,1.93,;-2.15,2.69,;-2.15,4.23,;-.82,5,;-3.48,5,;-3.48,1.93,;-4.95,2.4,;-5.85,1.15,;-4.95,-.09,;-5.4,-1.42,;-3.48,.38,)|
Show InChI InChI=1S/C22H23N3O2/c1-12(2)10-19(26)25-18-7-5-6-15(14(18)4)16-8-9-17(22(23)27)21-20(16)13(3)11-24-21/h5-11,24H,1-4H3,(H2,23,27)(H,25,26)
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n/an/a 510n/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))
BDBM164849
PNG
(US10604504, Example 18 | US11623921, Example 18 | ...)
Show SMILES Cc1[nH]c2c(ccc(-c3cccc(NC(=O)C4=CCCCC4)c3C)c2c1C)C(N)=O |t:16|
Show InChI InChI=1S/C25H27N3O2/c1-14-16(3)27-23-20(24(26)29)13-12-19(22(14)23)18-10-7-11-21(15(18)2)28-25(30)17-8-5-4-6-9-17/h7-8,10-13,27H,4-6,9H2,1-3H3,(H2,26,29)(H,28,30)
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n/an/a 16n/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))
BDBM164861
PNG
(US10604504, Example 19 | US11623921, Example 19 | ...)
Show SMILES Cc1c[nH]c2c(ccc(-c3cccc(NC(=O)CC#N)c3C)c12)C(N)=O
Show InChI InChI=1S/C20H18N4O2/c1-11-10-23-19-15(20(22)26)7-6-14(18(11)19)13-4-3-5-16(12(13)2)24-17(25)8-9-21/h3-7,10,23H,8H2,1-2H3,(H2,22,26)(H,24,25)
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n/an/a 130n/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))
BDBM165210
PNG
(US10604504, Example 35 | US11623921, Example 35 | ...)
Show SMILES Cc1[nH]c2c(ccc(-c3cccc(N4CCC(=C)C4=O)c3C)c2c1C)C(N)=O
Show InChI InChI=1S/C23H23N3O2/c1-12-10-11-26(23(12)28)19-7-5-6-16(14(19)3)17-8-9-18(22(24)27)21-20(17)13(2)15(4)25-21/h5-9,25H,1,10-11H2,2-4H3,(H2,24,27)
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n/an/a 17n/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))
BDBM165211
PNG
(US10604504, Example 36 | US11623921, Example 36 | ...)
Show SMILES Cc1[nH]c2c(ccc(-c3cccc(c3)N3CCC(=C)C3=O)c2c1C)C(N)=O
Show InChI InChI=1S/C22H21N3O2/c1-12-9-10-25(22(12)27)16-6-4-5-15(11-16)17-7-8-18(21(23)26)20-19(17)13(2)14(3)24-20/h4-8,11,24H,1,9-10H2,2-3H3,(H2,23,26)
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n/an/a 49n/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))
BDBM165232
PNG
(US10604504, Example 42 | US11623921, Example 42 | ...)
Show SMILES Cc1[nH]c2c(ccc(-c3cccc(c3)C(C)(C)NS(=O)(=O)C=C)c2c1C)C(N)=O
Show InChI InChI=1S/C22H25N3O3S/c1-6-29(27,28)25-22(4,5)16-9-7-8-15(12-16)17-10-11-18(21(23)26)20-19(17)13(2)14(3)24-20/h6-12,24-25H,1H2,2-5H3,(H2,23,26)
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n/an/a 2.20n/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))
BDBM165266
PNG
(US10604504, Example 62 | US11623921, Example 62 | ...)
Show SMILES COc1ccc(COc2cc(-c3cccc(c3C)-n3cnc4c(F)cccc4c3=O)c3c(C)c(C)[nH]c3c2C(N)=O)cc1
Show InChI InChI=1S/C34H29FN4O4/c1-18-20(3)38-32-29(18)25(15-28(30(32)33(36)40)43-16-21-11-13-22(42-4)14-12-21)23-7-6-10-27(19(23)2)39-17-37-31-24(34(39)41)8-5-9-26(31)35/h5-15,17,38H,16H2,1-4H3,(H2,36,40)
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n/an/a 130n/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))
BDBM165270
PNG
(US10604504, Example 66 | US11623921, Example 66 | ...)
Show SMILES COc1ccc(COc2cc(-c3cccc(c3C)-n3cnc4c(OC)cccc4c3=O)c3c(C)c(C)[nH]c3c2C(N)=O)cc1
Show InChI InChI=1S/C35H32N4O5/c1-19-21(3)38-33-30(19)26(16-29(31(33)34(36)40)44-17-22-12-14-23(42-4)15-13-22)24-8-6-10-27(20(24)2)39-18-37-32-25(35(39)41)9-7-11-28(32)43-5/h6-16,18,38H,17H2,1-5H3,(H2,36,40)
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n/an/a 100n/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))
BDBM165291
PNG
(US10604504, Example 87 | US11623921, Example 87 | ...)
Show SMILES Cc1[nH]c2c(ccc(N[C@@H]3CCN(C3)C(=O)C=C)c2c1C)C(N)=O |r|
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n/an/a 8.40n/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))
BDBM165298
PNG
(US10604504, Example 94 | US11623921, Example 94 | ...)
Show SMILES CN([C@H]1CCN(C1)C(=O)C=C)c1ccc(C(N)=O)c2[nH]c(C)c(C)c12 |r|
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n/an/a 1.20n/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))
BDBM165303
PNG
(US10604504, Example 99 | US11623921, Example 99 | ...)
Show SMILES Cc1[nH]c2c(cc(F)c(-c3ccc4CCCN(C(=O)C=C)c4c3)c2c1C)C(N)=O
Show InChI InChI=1S/C23H22FN3O2/c1-4-19(28)27-9-5-6-14-7-8-15(10-18(14)27)21-17(24)11-16(23(25)29)22-20(21)12(2)13(3)26-22/h4,7-8,10-11,26H,1,5-6,9H2,2-3H3,(H2,25,29)
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n/an/a 0.190n/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))
BDBM165326
PNG
(US10604504, Example 122 | US11623921, Example 122 ...)
Show SMILES CC#CC(=O)N1CCC(CC1)Nc1c(F)cc(C(N)=O)c2[nH]c(C)c(C)c12
Show InChI InChI=1S/C20H23FN4O2/c1-4-5-16(26)25-8-6-13(7-9-25)24-19-15(21)10-14(20(22)27)18-17(19)11(2)12(3)23-18/h10,13,23-24H,6-9H2,1-3H3,(H2,22,27)
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n/an/a 84n/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))
BDBM164638
PNG
(BDBM166759 | US10604504, Example 223 | US11623921,...)
Show SMILES CC#CC(=O)N[C@H]1CCCN(C1)c1c(F)cc(C(N)=O)c2[nH]c(C)c(C)c12 |r|
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n/an/a 0.0900n/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))
BDBM165343
PNG
(US10604504, Example 130 | US11623921, Example 130 ...)
Show SMILES CCN([C@H]1CCCN(C1)c1c(F)cc(C(N)=O)c2[nH]c(C)c(C)c12)C(=O)C#CC |r|
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n/an/a 0.210n/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))
BDBM165456
PNG
(US10604504, Example 134 | US11623921, Example 134 ...)
Show SMILES CC#CC(=O)N1CCc2ccc(cc2C1)-c1c(F)cc(C(N)=O)c2[nH]c(C)c(C)c12
Show InChI InChI=1S/C24H22FN3O2/c1-4-5-20(29)28-9-8-15-6-7-16(10-17(15)12-28)22-19(25)11-18(24(26)30)23-21(22)13(2)14(3)27-23/h6-7,10-11,27H,8-9,12H2,1-3H3,(H2,26,30)
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n/an/a 150n/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))
BDBM165482
PNG
(US10604504, Example 147 | US11623921, Example 147 ...)
Show SMILES Cc1[nH]c2c(cc(F)c(N[C@H]3CCN(C3)C#N)c2c1C)C(N)=O |r|
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n/an/a 3n/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))
BDBM165488
PNG
(US9688629, 152)
Show SMILES Cc1[nH]c2c(cc(F)c(-c3cccc4CN(CCc34)C#N)c2c1C)C(N)=O |(-5.96,1.54,;-4.42,1.54,;-3.51,2.79,;-2.05,2.31,;-.71,3.08,;.62,2.31,;.62,.77,;1.95,,;-.71,,;-.71,-1.54,;-2.05,-2.31,;-2.05,-3.85,;-.71,-4.62,;.62,-3.85,;1.95,-4.62,;3.29,-3.85,;3.29,-2.31,;1.95,-1.54,;.62,-2.31,;4.62,-4.62,;5.96,-5.39,;-2.05,.77,;-3.51,.29,;-3.96,-1.04,;-.71,4.62,;.62,5.39,;-2.05,5.39,)|
Show InChI InChI=1S/C21H19FN4O/c1-11-12(2)25-20-16(21(24)27)8-17(22)19(18(11)20)15-5-3-4-13-9-26(10-23)7-6-14(13)15/h3-5,8,25H,6-7,9H2,1-2H3,(H2,24,27)
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n/an/a 76n/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
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* indicates data uncertainty>20%