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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))
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))
BDBM164875
PNG
(US10604504, Example 23 | US11623921, Example 23 | ...)
Show SMILES CN(c1cccc(c1C)-c1ccc(C(N)=O)c2[nH]c(C)c(C)c12)S(=O)(=O)C=C
Show InChI InChI=1S/C21H23N3O3S/c1-6-28(26,27)24(5)18-9-7-8-15(13(18)3)16-10-11-17(21(22)25)20-19(16)12(2)14(4)23-20/h6-11,23H,1H2,2-5H3,(H2,22,25)
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n/an/a 0.110n/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))
BDBM164959
PNG
(US10604504, Example 29 | US11623921, Example 29 | ...)
Show SMILES CN(C(=O)C=C)c1cccc(c1)-c1ccc(C(N)=O)c2[nH]c(C)c(C)c12
Show InChI InChI=1S/C21H21N3O2/c1-5-18(25)24(4)15-8-6-7-14(11-15)16-9-10-17(21(22)26)20-19(16)12(2)13(3)23-20/h5-11,23H,1H2,2-4H3,(H2,22,26)
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n/an/a 0.230n/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))
BDBM165228
PNG
(US10604504, Example 38 | US11623921, Example 38 | ...)
Show SMILES Cc1[nH]c2c(ccc(-c3ccc4CCN(C(=O)C=C)c4c3)c2c1C)C(N)=O
Show InChI InChI=1S/C22H21N3O2/c1-4-19(26)25-10-9-14-5-6-15(11-18(14)25)16-7-8-17(22(23)27)21-20(16)12(2)13(3)24-21/h4-8,11,24H,1,9-10H2,2-3H3,(H2,23,27)
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n/an/a 0.660n/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))
BDBM165242
PNG
(US10604504, Example 46 | US11623921, Example 46 | ...)
Show SMILES CN(C(=O)C=C)c1cccc(c1C)-c1ccc(C(N)=O)c2[nH]ccc12
Show InChI InChI=1S/C20H19N3O2/c1-4-18(24)23(3)17-7-5-6-13(12(17)2)14-8-9-16(20(21)25)19-15(14)10-11-22-19/h4-11,22H,1H2,2-3H3,(H2,21,25)
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n/an/a 3.30n/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))
BDBM165253
PNG
(US10604504, Example 49 | US11623921, Example 49 | ...)
Show SMILES Cc1[nH]c2c(ccc(-c3cccc(c3C)-n3cnc4ccccc4c3=O)c2c1C)C(N)=O
Show InChI InChI=1S/C26H22N4O2/c1-14-16(3)29-24-20(25(27)31)12-11-18(23(14)24)17-8-6-10-22(15(17)2)30-13-28-21-9-5-4-7-19(21)26(30)32/h4-13,29H,1-3H3,(H2,27,31)
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n/an/a 12n/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))
BDBM165263
PNG
(US10604504, Example 59 | US11623921, Example 59 | ...)
Show SMILES Cc1c[nH]c2c(ccc(-c3cccc(c3C)-n3cnc4ccccc4c3=O)c12)C(N)=O
Show InChI InChI=1S/C25H20N4O2/c1-14-12-27-23-19(24(26)30)11-10-17(22(14)23)16-7-5-9-21(15(16)2)29-13-28-20-8-4-3-6-18(20)25(29)31/h3-13,27H,1-2H3,(H2,26,30)
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n/an/a 92n/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))
BDBM165265
PNG
(US10604504, Example 61 | US11623921, Example 61 | ...)
Show SMILES COc1ccc(COc2cc(-c3cccc(c3C)-n3cnc4ccccc4c3=O)c3c(C)c(C)[nH]c3c2C(N)=O)cc1
Show InChI InChI=1S/C34H30N4O4/c1-19-21(3)37-32-30(19)26(16-29(31(32)33(35)39)42-17-22-12-14-23(41-4)15-13-22)24-9-7-11-28(20(24)2)38-18-36-27-10-6-5-8-25(27)34(38)40/h5-16,18,37H,17H2,1-4H3,(H2,35,39)
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n/an/a 120n/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))
BDBM165287
PNG
(US10604504, Example 83 | US11623921, Example 83 | ...)
Show SMILES Cc1[nH]c2c(ccc(N3CCCC(C3)NC(=O)C=C)c2c1C)C(N)=O
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n/an/a 3.30n/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))
BDBM165293
PNG
(US10604504, Example 89 | US11623921, Example 89 | ...)
Show SMILES Cc1[nH]c2c(cc(F)c(N3CCC[C@@H](C3)NC(=O)C=C)c2c1C)C(N)=O |r|
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n/an/a 1n/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))
BDBM165296
PNG
(US10604504, Example 92 | US11623921, Example 92 | ...)
Show SMILES Cc1[nH]c2c(cc(F)c(NC3CCN(CC3)C(=O)C=C)c2c1C)C(N)=O
Show InChI InChI=1S/C19H23FN4O2/c1-4-15(25)24-7-5-12(6-8-24)23-18-14(20)9-13(19(21)26)17-16(18)10(2)11(3)22-17/h4,9,12,22-23H,1,5-8H2,2-3H3,(H2,21,26)
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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))
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))
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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n/an/a 0.0500n/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))
BDBM165463
PNG
(US10604504, Example 141 | US11623921, Example 141 ...)
Show SMILES Cc1[nH]c2c(ccc(N3CCC[C@@H](C3)NS(=O)(=O)C=C)c2c1C)C(N)=O |r|
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n/an/a 0.720n/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))
BDBM165481
PNG
(US10604504, Example 145 | US11623921, Example 146 ...)
Show SMILES Cc1[nH]c2c(cc(F)c(N3CCC[C@@H](C3)NS(=O)(=O)C=C)c2c1C)C(N)=O |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))
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))
BDBM164713
PNG
(US10604504, Example 95 | US11623921, Example 95 | ...)
Show SMILES Cc1[nH]c2c(cc(F)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/C23H22FN3O2/c1-4-19(28)27-9-8-15-14(11-27)6-5-7-16(15)21-18(24)10-17(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 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))
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 0.740n/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))
BDBM165612
PNG
(US10604504, Example 200 | US11623921, Example 200 ...)
Show SMILES CC#CC(=O)N(C1CC1)[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 0.270n/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))
BDBM166046
PNG
(US10604504, Example 214 | US11623921, Example 214 ...)
Show SMILES Cc1[nH]c2c(cc(F)c(-c3cccc4CN(CCc34)C(=O)C=C)c2c1-c1ccc(F)cc1)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,;-.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,;-4.58,-.81,;-6.06,-1.21,;-6.46,-2.69,;-5.37,-3.78,;-5.77,-5.27,;-3.89,-3.38,;-3.49,-1.9,;-1.38,5,;-.05,5.78,;-2.71,5.78,)|
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)27-26(25)24(15(2)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 0.290n/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))
BDBM167707
PNG
(US10604504, Example 254 | US11623921, Example 254 ...)
Show SMILES CC#CC(=O)N1CC=C(C1)c1c(F)cc(C(N)=O)c2[nH]c(c(C)c12)C(F)(F)F |c:7|
Show InChI InChI=1S/C19H15F4N3O2/c1-3-4-13(27)26-6-5-10(8-26)15-12(20)7-11(18(24)28)16-14(15)9(2)17(25-16)19(21,22)23/h5,7,25H,6,8H2,1-2H3,(H2,24,28)
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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))
BDBM168135
PNG
(US10604504, Example 261 | US11623921, Example 260 ...)
Show SMILES CC#CC(=O)N1CCC(Cc2c(F)cc(C(N)=O)c3[nH]c(C)c(C)c23)CC1
Show InChI InChI=1S/C21H24FN3O2/c1-4-5-18(26)25-8-6-14(7-9-25)10-15-17(22)11-16(21(23)27)20-19(15)12(2)13(3)24-20/h11,14,24H,6-10H2,1-3H3,(H2,23,27)
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n/an/a 233n/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))
BDBM166824
PNG
(US10604504, Example 264 | US11623921, Example 264 ...)
Show SMILES Cc1[nH]c2c(cc(Cl)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,.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,;-.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,)|
Show InChI InChI=1S/C23H22ClN3O2/c1-4-19(28)27-9-8-15-14(11-27)6-5-7-16(15)21-18(24)10-17(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 43n/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))
BDBM164839
PNG
(US10604504, Example 16 | US11623921, Example 16 | ...)
Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(c1C)-c1ccc(C(N)=O)c2[nH]c(C)c(C)c12
Show InChI InChI=1S/C24H28N4O2/c1-14-16(3)26-23-19(24(25)30)12-11-18(22(14)23)17-8-6-9-20(15(17)2)27-21(29)10-7-13-28(4)5/h6-12,26H,13H2,1-5H3,(H2,25,30)(H,27,29)/b10-7+
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n/an/a 0.980n/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))
BDBM164878
PNG
(US10604504, Example 26 | US11623921, Example 26 | ...)
Show SMILES CN(c1cccc(c1)-c1c(F)cc(C(N)=O)c2[nH]c(C)c(C)c12)S(=O)(=O)C=C
Show InChI InChI=1S/C20H20FN3O3S/c1-5-28(26,27)24(4)14-8-6-7-13(9-14)18-16(21)10-15(20(22)25)19-17(18)11(2)12(3)23-19/h5-10,23H,1H2,2-4H3,(H2,22,25)
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n/an/a 0.5n/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))
BDBM165230
PNG
(US10604504, Example 40 | US11623921, Example 40 | ...)
Show SMILES Cc1[nH]c2c(ccc(-c3cccc(CNS(=O)(=O)C=C)c3)c2c1C)C(N)=O
Show InChI InChI=1S/C20H21N3O3S/c1-4-27(25,26)22-11-14-6-5-7-15(10-14)16-8-9-17(20(21)24)19-18(16)12(2)13(3)23-19/h4-10,22-23H,1,11H2,2-3H3,(H2,21,24)
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n/an/a 0.25n/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))
BDBM165251
PNG
(US10604504, Example 47 | US11623921, Example 47 | ...)
Show SMILES Cc1[nH]c2c(ccc(-c3cccc(N4Cc5ccc(C)cc5C4=O)c3C)c2c1C)C(N)=O
Show InChI InChI=1S/C27H25N3O2/c1-14-8-9-18-13-30(27(32)22(18)12-14)23-7-5-6-19(16(23)3)20-10-11-21(26(28)31)25-24(20)15(2)17(4)29-25/h5-12,29H,13H2,1-4H3,(H2,28,31)
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n/an/a 29n/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))
BDBM165258
PNG
(US10604504, Example 54 | US11623921, Example 54 | ...)
Show SMILES Cc1c(cccc1-n1cnc2c(F)cccc2c1=O)-c1ccc(C(N)=O)c2[nH]ccc12
Show InChI InChI=1S/C24H17FN4O2/c1-13-14(15-8-9-17(23(26)30)21-16(15)10-11-27-21)4-3-7-20(13)29-12-28-22-18(24(29)31)5-2-6-19(22)25/h2-12,27H,1H3,(H2,26,30)
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n/an/a 220n/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))
BDBM165260
PNG
(US10604504, Example 56 | US11623921, Example 56 | ...)
Show SMILES COc1cccc2c1ncn(-c1cccc(c1C)-c1ccc(C(N)=O)c3[nH]ccc13)c2=O
Show InChI InChI=1S/C25H20N4O3/c1-14-15(16-9-10-18(24(26)30)22-17(16)11-12-27-22)5-3-7-20(14)29-13-28-23-19(25(29)31)6-4-8-21(23)32-2/h3-13,27H,1-2H3,(H2,26,30)
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n/an/a 390n/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))
BDBM165283
PNG
(US10604504, Example 93 | US11623921, Example 79 | ...)
Show SMILES Cc1[nH]c2c(ccc(NC3CCN(CC3)C(=O)C=C)c2c1C)C(N)=O
Show InChI InChI=1S/C19H24N4O2/c1-4-16(24)23-9-7-13(8-10-23)22-15-6-5-14(19(20)25)18-17(15)11(2)12(3)21-18/h4-6,13,21-22H,1,7-10H2,2-3H3,(H2,20,25)
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n/an/a 3.30n/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))
BDBM165299
PNG
(US9688629, 95)
Show SMILES Cc1[nH]c2c(cc(F)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,.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,;-.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,)|
Show InChI InChI=1S/C23H22FN3O2/c1-4-19(28)27-9-8-15-14(11-27)6-5-7-16(15)21-18(24)10-17(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 0.130n/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))
BDBM165319
PNG
(US10604504, Example 115 | US11623921, Example 115 ...)
Show SMILES Cc1[nH]c2c(ccc(N3CCC[C@@H](C3)NC(=O)C#C)c2c1C)C(N)=O |r|
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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))
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))
BDBM165346
PNG
(US10604504, Example 131 | US11623921, Example 131 ...)
Show SMILES Cc1[nH]c2c(cc(F)c(-c3ccc4CCN(Cc4c3)C(=O)C=C)c2c1C)C(N)=O
Show InChI InChI=1S/C23H22FN3O2/c1-4-19(28)27-8-7-14-5-6-15(9-16(14)11-27)21-18(24)10-17(23(25)29)22-20(21)12(2)13(3)26-22/h4-6,9-10,26H,1,7-8,11H2,2-3H3,(H2,25,29)
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n/an/a 0.470n/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))
BDBM165437
PNG
(US10604504, Example 133 | US11623921, Example 133 ...)
Show SMILES CC#CC(=O)N1Cc2cccc(c2C1)-c1c(F)cc(C(N)=O)c2[nH]c(C)c(C)c12 |(6.4,-6.24,;5.63,-4.9,;4.86,-3.57,;4.09,-2.23,;4.86,-.9,;2.55,-2.23,;1.64,-3.48,;.18,-3,;-1.15,-3.77,;-2.49,-3,;-2.49,-1.46,;-1.15,-.69,;.18,-1.46,;1.64,-.99,;-1.15,.85,;.18,1.62,;1.51,.85,;.18,3.16,;-1.15,3.93,;-1.15,5.47,;.18,6.24,;-2.49,6.24,;-2.49,3.16,;-3.95,3.63,;-4.86,2.39,;-6.4,2.39,;-3.95,1.14,;-4.41,-.19,;-2.49,1.62,)|
Show InChI InChI=1S/C23H20FN3O2/c1-4-6-19(28)27-10-14-7-5-8-15(17(14)11-27)21-18(24)9-16(23(25)29)22-20(21)12(2)13(3)26-22/h5,7-9,26H,10-11H2,1-3H3,(H2,25,29)
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n/an/a 71n/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))
BDBM165464
PNG
(US10604504, Example 142 | US11623921, Example 142 ...)
Show SMILES Cc1[nH]c2c(ccc(N3CC[C@H](C3)NS(=O)(=O)C=C)c2c1C)C(N)=O |r|
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n/an/a 2.70n/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))
BDBM165485
PNG
(US10604504, Example 150 | US11623921, Example 150 ...)
Show SMILES Cc1[nH]c2c(cc(F)c(N3CCC[C@@H](C3)NC#N)c2c1C)C(N)=O |r|
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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))
BDBM164713
PNG
(US10604504, Example 95 | US11623921, Example 95 | ...)
Show SMILES Cc1[nH]c2c(cc(F)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/C23H22FN3O2/c1-4-19(28)27-9-8-15-14(11-27)6-5-7-16(15)21-18(24)10-17(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 0.100n/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))
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))
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 61n/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 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))
BDBM164774
PNG
(US10604504, Example 180 | US11623921, Example 180 ...)
Show SMILES Cc1[nH]c2c(cc(F)c(N3CC4CCCN(C#N)C4C3)c2c1C)C(N)=O
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n/an/a 92n/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))
BDBM165563
PNG
(US10604504, Example 185 | US11623921, Example 185 ...)
Show SMILES Cc1[nH]c2c(cc(F)c(Cc3ccnc(C=C)c3)c2c1C)C(N)=O
Show InChI InChI=1S/C19H18FN3O/c1-4-13-7-12(5-6-22-13)8-14-16(20)9-15(19(21)24)18-17(14)10(2)11(3)23-18/h4-7,9,23H,1,8H2,2-3H3,(H2,21,24)
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n/an/a 0.130n/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))
BDBM165577
PNG
(US10604504, Example 191 | US11623921, Example 191 ...)
Show SMILES Cc1[nH]c2c(cc(F)c(-c3cc(F)cc4CN(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,.38,;-1.38,.38,;-1.38,-1.15,;-2.71,-1.93,;-2.71,-3.47,;-4.05,-4.23,;-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,;-4.63,-.65,;-1.38,5,;-.05,5.78,;-2.71,5.78,)|
Show InChI InChI=1S/C23H21F2N3O2/c1-4-19(29)28-6-5-15-13(10-28)7-14(24)8-16(15)21-18(25)9-17(23(26)30)22-20(21)11(2)12(3)27-22/h4,7-9,27H,1,5-6,10H2,2-3H3,(H2,26,30)
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n/an/a 0.160n/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))
BDBM166046
PNG
(US10604504, Example 214 | US11623921, Example 214 ...)
Show SMILES Cc1[nH]c2c(cc(F)c(-c3cccc4CN(CCc34)C(=O)C=C)c2c1-c1ccc(F)cc1)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,;-.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,;-4.58,-.81,;-6.06,-1.21,;-6.46,-2.69,;-5.37,-3.78,;-5.77,-5.27,;-3.89,-3.38,;-3.49,-1.9,;-1.38,5,;-.05,5.78,;-2.71,5.78,)|
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)27-26(25)24(15(2)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 29n/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%