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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))
BDBM164867
PNG
(US10604504, Example 20 | US11623921, Example 20 | ...)
Show SMILES CN(C(=O)C=C)c1cccc(c1C)-c1ccc(C(N)=O)c2[nH]c(C)c(C)c12
Show InChI InChI=1S/C22H23N3O2/c1-6-19(26)25(5)18-9-7-8-15(13(18)3)16-10-11-17(22(23)27)21-20(16)12(2)14(4)24-21/h6-11,24H,1H2,2-5H3,(H2,23,27)
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n/an/a 0.590n/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))
BDBM164877
PNG
(US10604504, Example 25 | US11623921, Example 25 | ...)
Show SMILES CN(c1cccc(c1)-c1ccc(C(N)=O)c2[nH]c(C)c(C)c12)S(=O)(=O)C=C
Show InChI InChI=1S/C20H21N3O3S/c1-5-27(25,26)23(4)15-8-6-7-14(11-15)16-9-10-17(20(21)24)19-18(16)12(2)13(3)22-19/h5-11,22H,1H2,2-4H3,(H2,21,24)
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n/an/a 0.0700n/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))
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))
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))
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))
BDBM165276
PNG
(US10604504, Example 72 | US11623921, Example 72 | ...)
Show SMILES CCOc1cc(-c2cccc(c2C)-n2cnc3ccccc3c2=O)c2c(C)c(C)[nH]c2c1C(N)=O
Show InChI InChI=1S/C28H26N4O3/c1-5-35-23-13-20(24-15(2)17(4)31-26(24)25(23)27(29)33)18-10-8-12-22(16(18)3)32-14-30-21-11-7-6-9-19(21)28(32)34/h6-14,31H,5H2,1-4H3,(H2,29,33)
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n/an/a 19n/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))
BDBM165300
PNG
(US10604504, Example 96 | US11623921, Example 96 | ...)
Show SMILES CN([C@H]1CCN(C1)C(=O)C=C)c1c(F)cc(C(N)=O)c2[nH]c(C)c(C)c12 |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))
BDBM165306
PNG
(US9688629, 102)
Show SMILES Cc1[nH]c2c(cc(F)c(-c3cccc4N(CCOc34)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,;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,;-2.63,.5,;.62,6.16,;1.95,6.93,;-.71,6.93,)|
Show InChI InChI=1S/C22H20FN3O3/c1-4-17(27)26-8-9-29-21-13(6-5-7-16(21)26)19-15(23)10-14(22(24)28)20-18(19)11(2)12(3)25-20/h4-7,10,25H,1,8-9H2,2-3H3,(H2,24,28)
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n/an/a 0.170n/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))
BDBM165310
PNG
(US10604504, Example 106 | US11623921, Example 106 ...)
Show SMILES Cc1[nH]c2c(ccc(NC3CCCN(C3)C(=O)C#C)c2c1C)C(N)=O
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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))
BDBM165325
PNG
(US10604504, Example 121 | US11623921, Example 121 ...)
Show SMILES CC#CC(=O)N1CCC(C1)Nc1ccc(C(N)=O)c2[nH]c(C)c(C)c12
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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))
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))
BDBM165327
PNG
(US10604504, Example 124 | US11623921, Example 124 ...)
Show SMILES CN(C)C\C=C\C(=O)N1CC[C@@H](C1)Nc1ccc(C(N)=O)c2[nH]c(C)c(C)c12 |r|
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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))
BDBM165334
PNG
(US10604504, Example 128 | US11623921, Example 128 ...)
Show SMILES CCCC#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 0.0600n/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))
BDBM165467
PNG
(US11623921, Example 144 | US9688629, 144 | US98029...)
Show SMILES Cc1[nH]c2c(ccc(NC3CCN(C3)S(=O)(=O)C=C)c2c1C)C(N)=O
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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))
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))
BDBM164773
PNG
(US10604504, Example 174 | US11623921, Example 174 ...)
Show SMILES CC#CC(=O)N1CCCC2CN(CC12)c1c(F)cc(C(N)=O)c2[nH]c(C)c(C)c12
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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))
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 38n/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))
BDBM165581
PNG
(US10604504, Example 192 | US11623921, Example 192 ...)
Show SMILES Cc1[nH]c2c(cc(F)c(-c3ccc4CN(CCc4c3)C(=O)C=C)c2c1C)C(N)=O
Show InChI InChI=1S/C23H22FN3O2/c1-4-19(28)27-8-7-14-9-15(5-6-16(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 2.80n/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))
BDBM165586
PNG
(US10604504, Example 199 | US11623921, Example 199 ...)
Show SMILES Cc1c([nH]c2c(cc(F)c(-c3cccc4CN(CCc34)C(=O)C=C)c12)C(N)=O)C(F)(F)F |(-3.86,-.65,;-3.41,.68,;-4.31,1.92,;-3.41,3.17,;-1.94,2.69,;-.61,3.47,;.72,2.69,;.72,1.15,;2.06,.38,;-.61,.38,;-.61,-1.15,;-1.94,-1.93,;-1.94,-3.47,;-.61,-4.23,;.72,-3.47,;2.06,-4.23,;3.39,-3.47,;3.39,-1.93,;2.06,-1.15,;.72,-1.93,;4.73,-4.23,;4.73,-5.78,;6.06,-3.47,;7.39,-4.23,;-1.94,1.15,;-.61,5,;.72,5.78,;-1.94,5.78,;-5.85,1.92,;-7.39,1.92,;-5.85,.38,;-5.85,3.46,)|
Show InChI InChI=1S/C23H19F4N3O2/c1-3-17(31)30-8-7-13-12(10-30)5-4-6-14(13)19-16(24)9-15(22(28)32)20-18(19)11(2)21(29-20)23(25,26)27/h3-6,9,29H,1,7-8,10H2,2H3,(H2,28,32)
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n/an/a 0.540n/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))
BDBM166740
PNG
(US10604504, Example 222 | US11623921, Example 222 ...)
Show SMILES Cc1[nH]c2c(cc(F)c(Cc3cnc(C=C)c(F)c3)c2c1C)C(N)=O
Show InChI InChI=1S/C19H17F2N3O/c1-4-16-15(21)6-11(8-23-16)5-12-14(20)7-13(19(22)25)18-17(12)9(2)10(3)24-18/h4,6-8,24H,1,5H2,2-3H3,(H2,22,25)
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n/an/a 2.60n/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))
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))
BDBM166863
PNG
(US10604504, Example 244 | US11623921, Example 244 ...)
Show SMILES Cc1[nH]c2c(cc(F)c(N3CC4CN(C4C3)C(=O)C=C)c2c1C)C(N)=O
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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))
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))
BDBM167205
PNG
(US10604504, Example 250 | US11623921, Example 250 ...)
Show SMILES Cc1c([nH]c2c(cc(F)c(C3CCN(C3)C(=O)C=C)c12)C(N)=O)C(F)(F)F
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n/an/a 8.5n/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))
BDBM168136
PNG
(US11623921, Example 261 | US9688629, 261 | US98029...)
Show SMILES CC#CC(=O)N1CCC(CC1)=Cc1c(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,;.62,-4.23,;-.71,-3.47,;-.71,-1.93,;.62,-1.15,;1.95,-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/C21H22FN3O2/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/h10-11,24H,6-9H2,1-3H3,(H2,23,27)
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n/an/a 47n/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))
BDBM164817
PNG
(US10604504, Example 11 | US11623921, Example 11 | ...)
Show SMILES CC(C)=CC(=O)Nc1cccc(c1C)-c1ccc(C(N)=O)c2[nH]c(C)cc12 |(6.62,-5,;5.29,-4.23,;5.29,-2.69,;3.96,-5,;2.62,-4.23,;2.62,-2.69,;1.29,-5,;-.05,-4.23,;-1.38,-5,;-2.71,-4.23,;-2.71,-2.69,;-1.38,-1.93,;-.05,-2.69,;1.29,-1.93,;-1.38,-.38,;-.05,.38,;-.05,1.93,;-1.38,2.69,;-1.38,4.23,;-.05,5,;-2.71,5,;-2.71,1.93,;-4.18,2.4,;-5.08,1.15,;-6.62,1.15,;-4.18,-.09,;-2.71,.38,)|
Show InChI InChI=1S/C22H23N3O2/c1-12(2)10-20(26)25-19-7-5-6-15(14(19)4)16-8-9-17(22(23)27)21-18(16)11-13(3)24-21/h5-11,24H,1-4H3,(H2,23,27)(H,25,26)
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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))
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))
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))
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))
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))
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))
BDBM165234
PNG
(US10604504, Example 44 | US11623921, Example 44 | ...)
Show SMILES Cc1cc2c(ccc(C(N)=O)c2[nH]1)-c1ccnc(NC(=O)C=C)c1
Show InChI InChI=1S/C18H16N4O2/c1-3-16(23)22-15-9-11(6-7-20-15)12-4-5-13(18(19)24)17-14(12)8-10(2)21-17/h3-9,21H,1H2,2H3,(H2,19,24)(H,20,22,23)
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n/an/a 640n/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))
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))
BDBM165277
PNG
(US10604504, Example 73 | US11623921, Example 73 | ...)
Show SMILES COc1cc(-c2cccc(c2C)-n2cnc3ccccc3c2=O)c2c(C)c(C)[nH]c2c1C(N)=O
Show InChI InChI=1S/C27H24N4O3/c1-14-16(3)30-25-23(14)19(12-22(34-4)24(25)26(28)32)17-9-7-11-21(15(17)2)31-13-29-20-10-6-5-8-18(20)27(31)33/h5-13,30H,1-4H3,(H2,28,32)
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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))
BDBM165286
PNG
(US10604504, Example 82 | US11623921, Example 82 | ...)
Show SMILES Cc1[nH]c2c(ccc(N3CCC(C3)NC(=O)C=C)c2c1C)C(N)=O
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n/an/a 4.20n/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))
BDBM165288
PNG
(US10604504, Example 84 | US11623921, Example 84 | ...)
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 53n/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))
BDBM165292
PNG
(US10604504, Example 88 | US11623921, Example 88 | ...)
Show SMILES Cc1[nH]c2c(cc(F)c(N[C@H]3CCN(C3)C(=O)C=C)c2c1C)C(N)=O |r|
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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))
BDBM165309
PNG
(US10604504, Example 105 | US11623921, Example 105 ...)
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 0.640n/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))
BDBM165313
PNG
(US10604504, Example 109 | US11623921, Example 109 ...)
Show SMILES Cc1[nH]c2c(ccc(N3CCC[C@@H](C3)NC(=O)C#Cc3ccccc3)c2c1C)C(N)=O |r|
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n/an/a 0.950n/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))
BDBM165324
PNG
(US10604504, Example 120 | US11623921, Example 120 ...)
Show SMILES CC#CC(=O)N[C@@H]1CCN(C1)c1ccc(C(N)=O)c2[nH]c(C)c(C)c12 |r|
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n/an/a 4.5n/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))
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))
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))
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))
BDBM165487
PNG
(US10604504, Example 151 | US11623921, Example 151 ...)
Show SMILES Cc1[nH]c2c(cc(F)c(NC3CCN(CC3)C#N)c2c1C)C(N)=O
Show InChI InChI=1S/C17H20FN5O/c1-9-10(2)21-15-12(17(20)24)7-13(18)16(14(9)15)22-11-3-5-23(8-19)6-4-11/h7,11,21-22H,3-6H2,1-2H3,(H2,20,24)
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n/an/a 560n/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%