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Patent code US10266491

Compile Data Set for Download or QSAR

Found 200 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM377365
PNG
(US10266491, Example 33)
Show SMILES CC(C)(O)c1ccc2c(c1)[nH]c1c(ccc(-c3cccc(NS(=O)(=O)C=C)c3)c21)C(N)=O
Show InChI InChI=1S/C24H23N3O4S/c1-4-32(30,31)27-16-7-5-6-14(12-16)17-10-11-19(23(25)28)22-21(17)18-9-8-15(24(2,3)29)13-20(18)26-22/h4-13,26-27,29H,1H2,2-3H3,(H2,25,28)
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n/an/a 0.0460n/an/an/an/an/an/a



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 US10266491 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM377392
PNG
(US10266491, Example 60)
Show SMILES Cc1c(NC(=O)C=C)cccc1-c1c(Cl)cc(C(N)=O)c2[nH]c3CC(CCc3c12)C(C)(C)O
Show InChI InChI=1/C26H28ClN3O3/c1-5-21(31)29-19-8-6-7-15(13(19)2)22-18(27)12-17(25(28)32)24-23(22)16-10-9-14(26(3,4)33)11-20(16)30-24/h5-8,12,14,30,33H,1,9-11H2,2-4H3,(H2,28,32)(H,29,31)
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n/an/a 0.0470n/an/an/an/an/an/a



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 US10266491 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM377413
PNG
(US10266491, Example 95)
Show SMILES NC(=O)c1cc(F)c(-c2ccc3CCN(C(=O)C=C)c3c2)c2c3ccccc3[nH]c12
Show InChI InChI=1S/C24H18FN3O2/c1-2-20(29)28-10-9-13-7-8-14(11-19(13)28)21-17(25)12-16(24(26)30)23-22(21)15-5-3-4-6-18(15)27-23/h2-8,11-12,27H,1,9-10H2,(H2,26,30)
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n/an/a 0.0490n/an/an/an/an/an/a



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 US10266491 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM377415
PNG
(US10266491, Example 97 | US10266491, Example 98 | ...)
Show SMILES NC(=O)c1cc(F)c(C2CCCN(C2)C(=O)C=C)c2c3ccccc3[nH]c12
Show InChI InChI=1/C21H20FN3O2/c1-2-17(26)25-9-5-6-12(11-25)18-15(22)10-14(21(23)27)20-19(18)13-7-3-4-8-16(13)24-20/h2-4,7-8,10,12,24H,1,5-6,9,11H2,(H2,23,27)
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Bristol-Myers Squibb Company

US Patent


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


US Patent US10266491 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


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

US Patent


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


US Patent US10266491 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM377366
PNG
(US10266491, Example 34)
Show SMILES CC(C)(O)c1ccc2c(c1)[nH]c1c(cc(F)c(-c3cccc(NS(=O)(=O)C=C)c3)c21)C(N)=O
Show InChI InChI=1S/C24H22FN3O4S/c1-4-33(31,32)28-15-7-5-6-13(10-15)20-18(25)12-17(23(26)29)22-21(20)16-9-8-14(24(2,3)30)11-19(16)27-22/h4-12,27-28,30H,1H2,2-3H3,(H2,26,29)
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n/an/a 0.0510n/an/an/an/an/an/a



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 US10266491 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM377404
PNG
(US10266491, Example 76)
Show SMILES NC(=O)c1cc(F)c(N2CCC[C@@H](C2)NC(=O)C#CC2CC2)c2c3ccccc3[nH]c12
Show InChI InChI=1/C24H23FN4O2/c25-18-12-17(24(26)31)22-21(16-5-1-2-6-19(16)28-22)23(18)29-11-3-4-15(13-29)27-20(30)10-9-14-7-8-14/h1-2,5-6,12,14-15,28H,3-4,7-8,11,13H2,(H2,26,31)(H,27,30)/t15-/s2
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Bristol-Myers Squibb Company

US Patent


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


US Patent US10266491 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM377370
PNG
(US10266491, Example 38)
Show SMILES CN(C(=O)C=C)c1cccc(c1)-c1c(F)cc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O
Show InChI InChI=1S/C26H24FN3O3/c1-5-21(31)30(4)16-8-6-7-14(11-16)22-19(27)13-18(25(28)32)24-23(22)17-10-9-15(26(2,3)33)12-20(17)29-24/h5-13,29,33H,1H2,2-4H3,(H2,28,32)
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n/an/a 0.0610n/an/an/an/an/an/a



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 US10266491 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM377403
PNG
(US10266491, Example 118 | US10266491, Example 75)
Show SMILES CC#CC(=O)N[C@H]1CCCN(C1)c1c(F)cc(C(N)=O)c2[nH]c3ccccc3c12
Show InChI InChI=1/C22H21FN4O2/c1-2-6-18(28)25-13-7-5-10-27(12-13)21-16(23)11-15(22(24)29)20-19(21)14-8-3-4-9-17(14)26-20/h3-4,8-9,11,13,26H,5,7,10,12H2,1H3,(H2,24,29)(H,25,28)/t13-/s2
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Bristol-Myers Squibb Company

US Patent


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


US Patent US10266491 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM377363
PNG
(US10266491, Example 31)
Show SMILES CN(c1cccc(c1)-c1c(F)cc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O)S(=O)(=O)C=C
Show InChI InChI=1S/C25H24FN3O4S/c1-5-34(32,33)29(4)16-8-6-7-14(11-16)21-19(26)13-18(24(27)30)23-22(21)17-10-9-15(25(2,3)31)12-20(17)28-23/h5-13,28,31H,1H2,2-4H3,(H2,27,30)
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n/an/a 0.0690n/an/an/an/an/an/a



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 US10266491 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM377430
PNG
(Cis-4-(1-acryloylhexahydropyrrolo[3,4-b]pyrrol-5(1...)
Show SMILES NC(=O)c1cc(F)c(N2CC3CCN(C3C2)C(=O)C=C)c2c3ccccc3[nH]c12
Show InChI InChI=1/C22H21FN4O2/c1-2-18(28)27-8-7-12-10-26(11-17(12)27)21-15(23)9-14(22(24)29)20-19(21)13-5-3-4-6-16(13)25-20/h2-6,9,12,17,25H,1,7-8,10-11H2,(H2,24,29)
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Bristol-Myers Squibb Company

US Patent


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


US Patent US10266491 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM377403
PNG
(US10266491, Example 118 | US10266491, Example 75)
Show SMILES CC#CC(=O)N[C@H]1CCCN(C1)c1c(F)cc(C(N)=O)c2[nH]c3ccccc3c12
Show InChI InChI=1/C22H21FN4O2/c1-2-6-18(28)25-13-7-5-10-27(12-13)21-16(23)11-15(22(24)29)20-19(21)14-8-3-4-9-17(14)26-20/h3-4,8-9,11,13,26H,5,7,10,12H2,1H3,(H2,24,29)(H,25,28)/t13-/s2
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Bristol-Myers Squibb Company

US Patent


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


US Patent US10266491 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM377399
PNG
(US10266491, Example 69)
Show SMILES NC(=O)c1cc(F)c(N2CCC[C@@H](C2)NC(=O)C=C)c2c3ccccc3[nH]c12
Show InChI InChI=1/C21H21FN4O2/c1-2-17(27)24-12-6-5-9-26(11-12)20-15(22)10-14(21(23)28)19-18(20)13-7-3-4-8-16(13)25-19/h2-4,7-8,10,12,25H,1,5-6,9,11H2,(H2,23,28)(H,24,27)/t12-/s2
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n/an/a 0.0730n/an/an/an/an/an/a



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 US10266491 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM377389
PNG
(US10266491, Example 57 | US10266491, Example 58)
Show SMILES CN(C)C(=O)C1CCc2c(C1)[nH]c1c(cc(Cl)c(-c3cccc(NC(=O)C=C)c3C)c21)C(N)=O
Show InChI InChI=1/C26H27ClN4O3/c1-5-21(32)29-19-8-6-7-15(13(19)2)22-18(27)12-17(25(28)33)24-23(22)16-10-9-14(11-20(16)30-24)26(34)31(3)4/h5-8,12,14,30H,1,9-11H2,2-4H3,(H2,28,33)(H,29,32)
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Bristol-Myers Squibb Company

US Patent


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


US Patent US10266491 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM377347
PNG
(US10266491, Example 15)
Show SMILES Cc1c(NC(=O)C=C)cccc1-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C#N
Show InChI InChI=1S/C24H18N4O2/c1-3-21(29)27-19-6-4-5-15(13(19)2)16-9-10-18(24(26)30)23-22(16)17-8-7-14(12-25)11-20(17)28-23/h3-11,28H,1H2,2H3,(H2,26,30)(H,27,29)
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Bristol-Myers Squibb Company

US Patent


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


US Patent US10266491 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM377340
PNG
(US10266491, Example 8)
Show SMILES Cc1c(NC(=O)C=C)cccc1-c1c(Cl)cc(C(N)=O)c2[nH]c3CC(CO)CCc3c12
Show InChI InChI=1/C24H24ClN3O3/c1-3-20(30)27-18-6-4-5-14(12(18)2)21-17(25)10-16(24(26)31)23-22(21)15-8-7-13(11-29)9-19(15)28-23/h3-6,10,13,28-29H,1,7-9,11H2,2H3,(H2,26,31)(H,27,30)
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Bristol-Myers Squibb Company

US Patent


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


US Patent US10266491 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM377345
PNG
(US10266491, Example 13)
Show SMILES Cc1c(NS(=O)(=O)C=C)cccc1-c1ccc(C(N)=O)c2[nH]c3CC(CCc3c12)C(C)(C)O
Show InChI InChI=1/C25H29N3O4S/c1-5-33(31,32)28-20-8-6-7-16(14(20)2)17-11-12-19(24(26)29)23-22(17)18-10-9-15(25(3,4)30)13-21(18)27-23/h5-8,11-12,15,27-28,30H,1,9-10,13H2,2-4H3,(H2,26,29)
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Bristol-Myers Squibb Company

US Patent


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


US Patent US10266491 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM377415
PNG
(US10266491, Example 97 | US10266491, Example 98 | ...)
Show SMILES NC(=O)c1cc(F)c(C2CCCN(C2)C(=O)C=C)c2c3ccccc3[nH]c12
Show InChI InChI=1/C21H20FN3O2/c1-2-17(26)25-9-5-6-12(11-25)18-15(22)10-14(21(23)27)20-19(18)13-7-3-4-8-16(13)24-20/h2-4,7-8,10,12,24H,1,5-6,9,11H2,(H2,23,27)
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n/an/a 0.0870n/an/an/an/an/an/a



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 US10266491 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM377348
PNG
(US10266491, Example 16)
Show SMILES Cc1c(NC(=O)C=C)cccc1-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(O)CO
Show InChI InChI=1/C25H23N3O4/c1-3-22(31)27-19-6-4-5-15(13(19)2)16-9-10-18(25(26)32)24-23(16)17-8-7-14(21(30)12-29)11-20(17)28-24/h3-11,21,28-30H,1,12H2,2H3,(H2,26,32)(H,27,31)
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n/an/a 0.0880n/an/an/an/an/an/a



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 US10266491 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM377426
PNG
(Cis-4-(1-acryloyloctahydro-6H-pyrrolo[3,4-b]pyridi...)
Show SMILES NC(=O)c1cc(F)c(N2CC3CCCN(C3C2)C(=O)C=C)c2c3ccccc3[nH]c12
Show InChI InChI=1/C23H23FN4O2/c1-2-19(29)28-9-5-6-13-11-27(12-18(13)28)22-16(24)10-15(23(25)30)21-20(22)14-7-3-4-8-17(14)26-21/h2-4,7-8,10,13,18,26H,1,5-6,9,11-12H2,(H2,25,30)
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n/an/a 0.0900n/an/an/an/an/an/a



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 US10266491 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM377468
PNG
(4-(1-acryloylpiperidin-3-yl)- 3-fluoro-7-(trifluor...)
Show SMILES NC(=O)c1cc(F)c(C2CCCN(C2)C(=O)C=C)c2c3ccc(cc3[nH]c12)C(F)(F)F
Show InChI InChI=1/C22H19F4N3O2/c1-2-17(30)29-7-3-4-11(10-29)18-15(23)9-14(21(27)31)20-19(18)13-6-5-12(22(24,25)26)8-16(13)28-20/h2,5-6,8-9,11,28H,1,3-4,7,10H2,(H2,27,31)
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Bristol-Myers Squibb Company

US Patent


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


US Patent US10266491 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM377380
PNG
(US10266491, Example 48)
Show SMILES NC(=O)c1ccc(-c2cccc(NS(=O)(=O)C=C)c2)c2c3CCCCc3[nH]c12
Show InChI InChI=1S/C21H21N3O3S/c1-2-28(26,27)24-14-7-5-6-13(12-14)15-10-11-17(21(22)25)20-19(15)16-8-3-4-9-18(16)23-20/h2,5-7,10-12,23-24H,1,3-4,8-9H2,(H2,22,25)
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Bristol-Myers Squibb Company

US Patent


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


US Patent US10266491 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM377379
PNG
(US10266491, Example 47)
Show SMILES Cc1c(NS(=O)(=O)C=C)cccc1-c1c(F)cc(C(N)=O)c2[nH]c3C[C@@H](CCc3c12)C(C)(C)O
Show InChI InChI=1/C25H28FN3O4S/c1-5-34(32,33)29-19-8-6-7-15(13(19)2)21-18(26)12-17(24(27)30)23-22(21)16-10-9-14(25(3,4)31)11-20(16)28-23/h5-8,12,14,28-29,31H,1,9-11H2,2-4H3,(H2,27,30)/t14-/s2
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Bristol-Myers Squibb Company

US Patent


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


US Patent US10266491 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM377378
PNG
(US10266491, Example 46)
Show SMILES CN(c1cccc(c1Cl)-c1ccc(C(N)=O)c2[nH]c3CC(CCc3c12)C(C)(C)O)S(=O)(=O)C=C
Show InChI InChI=1/C25H28ClN3O4S/c1-5-34(32,33)29(4)20-8-6-7-16(22(20)26)15-11-12-18(24(27)30)23-21(15)17-10-9-14(25(2,3)31)13-19(17)28-23/h5-8,11-12,14,28,31H,1,9-10,13H2,2-4H3,(H2,27,30)
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Bristol-Myers Squibb Company

US Patent


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


US Patent US10266491 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM377407
PNG
(3-Fluoro-4-((6-vinylpyridin-3-yl)methyl)-9H-carbaz...)
Show SMILES NC(=O)c1cc(F)c(Cc2ccc(C=C)nc2)c2c3ccccc3[nH]c12
Show InChI InChI=1S/C21H16FN3O/c1-2-13-8-7-12(11-24-13)9-15-17(22)10-16(21(23)26)20-19(15)14-5-3-4-6-18(14)25-20/h2-8,10-11,25H,1,9H2,(H2,23,26)
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Bristol-Myers Squibb Company

US Patent


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


US Patent US10266491 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM377422
PNG
(Cis-4-(1-(but-2-ynoyl)octahydro-6H-pyrrolo[3,4-b]p...)
Show SMILES CC#CC(=O)N1CCCC2CN(CC12)c1c(F)cc(C(N)=O)c2[nH]c3ccccc3c12
Show InChI InChI=1/C24H23FN4O2/c1-2-6-20(30)29-10-5-7-14-12-28(13-19(14)29)23-17(25)11-16(24(26)31)22-21(23)15-8-3-4-9-18(15)27-22/h3-4,8-9,11,14,19,27H,5,7,10,12-13H2,1H3,(H2,26,31)
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Bristol-Myers Squibb Company

US Patent


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


US Patent US10266491 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM377426
PNG
(Cis-4-(1-acryloyloctahydro-6H-pyrrolo[3,4-b]pyridi...)
Show SMILES NC(=O)c1cc(F)c(N2CC3CCCN(C3C2)C(=O)C=C)c2c3ccccc3[nH]c12
Show InChI InChI=1/C23H23FN4O2/c1-2-19(29)28-9-5-6-13-11-27(12-18(13)28)22-16(24)10-15(23(25)30)21-20(22)14-7-3-4-8-17(14)26-21/h2-4,7-8,10,13,18,26H,1,5-6,9,11-12H2,(H2,25,30)
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Bristol-Myers Squibb Company

US Patent


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


US Patent US10266491 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM377389
PNG
(US10266491, Example 57 | US10266491, Example 58)
Show SMILES CN(C)C(=O)C1CCc2c(C1)[nH]c1c(cc(Cl)c(-c3cccc(NC(=O)C=C)c3C)c21)C(N)=O
Show InChI InChI=1/C26H27ClN4O3/c1-5-21(32)29-19-8-6-7-15(13(19)2)22-18(27)12-17(25(28)33)24-23(22)16-10-9-14(11-20(16)30-24)26(34)31(3)4/h5-8,12,14,30H,1,9-11H2,2-4H3,(H2,28,33)(H,29,32)
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Bristol-Myers Squibb Company

US Patent


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


US Patent US10266491 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM377414
PNG
(US10266491, Example 96)
Show SMILES NC(=O)c1cc(F)c(C2=CCCN(C2)C(=O)C=C)c2c3ccccc3[nH]c12
Show InChI InChI=1S/C21H18FN3O2/c1-2-17(26)25-9-5-6-12(11-25)18-15(22)10-14(21(23)27)20-19(18)13-7-3-4-8-16(13)24-20/h2-4,6-8,10,24H,1,5,9,11H2,(H2,23,27)
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Bristol-Myers Squibb Company

US Patent


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


US Patent US10266491 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM377487
PNG
(4-(1-acryloylindolin-6-yl)-3- fluoro-7-(2-hydroxye...)
Show SMILES NC(=O)c1cc(F)c(-c2ccc3CCN(C(=O)C=C)c3c2)c2c3ccc(CCO)cc3[nH]c12
Show InChI InChI=1S/C26H22FN3O3/c1-2-22(32)30-9-7-15-4-5-16(12-21(15)30)23-19(27)13-18(26(28)33)25-24(23)17-6-3-14(8-10-31)11-20(17)29-25/h2-6,11-13,29,31H,1,7-10H2,(H2,28,33)
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Bristol-Myers Squibb Company

US Patent


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


US Patent US10266491 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM377470
PNG
((S)-4-(3- acrylamidopiperidin-1-yl)-3- fluoro-7-(t...)
Show SMILES NC(=O)c1cc(F)c(N2CCC[C@@H](C2)NC(=O)C=C)c2c3ccc(cc3[nH]c12)C(F)(F)F
Show InChI InChI=1/C22H20F4N4O2/c1-2-17(31)28-12-4-3-7-30(10-12)20-15(23)9-14(21(27)32)19-18(20)13-6-5-11(22(24,25)26)8-16(13)29-19/h2,5-6,8-9,12,29H,1,3-4,7,10H2,(H2,27,32)(H,28,31)/t12-/s2
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Bristol-Myers Squibb Company

US Patent


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


US Patent US10266491 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM377479
PNG
((S)-4-(3-(but-2-ynamido) piperidin-1-yl)-3-fluoro-...)
Show SMILES CC#CC(=O)N[C@H]1CCCN(C1)c1c(F)cc(C(N)=O)c2[nH]c3cc(ccc3c12)C(=O)N1CCN(C)CC1
Show InChI InChI=1/C28H31FN6O3/c1-3-5-23(36)31-18-6-4-9-35(16-18)26-21(29)15-20(27(30)37)25-24(26)19-8-7-17(14-22(19)32-25)28(38)34-12-10-33(2)11-13-34/h7-8,14-15,18,32H,4,6,9-13,16H2,1-2H3,(H2,30,37)(H,31,36)/t18-/s2
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Bristol-Myers Squibb Company

US Patent


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


US Patent US10266491 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM377349
PNG
(US10266491, Example 17)
Show SMILES CC(C)Nc1ccc2c(c1)[nH]c1c(ccc(-c3cccc(NC(=O)C=C)c3C)c21)C(N)=O
Show InChI InChI=1S/C26H26N4O2/c1-5-23(31)29-21-8-6-7-17(15(21)4)18-11-12-20(26(27)32)25-24(18)19-10-9-16(28-14(2)3)13-22(19)30-25/h5-14,28,30H,1H2,2-4H3,(H2,27,32)(H,29,31)
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Bristol-Myers Squibb Company

US Patent


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


US Patent US10266491 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM377437
PNG
(5-((S)-3-(But-2-ynamido)piperidin-1-yl)-6-fluoro-2...)
Show SMILES CC#CC(=O)N[C@H]1CCCN(C1)c1c2C3CCC(CC3Nc2c(cc1F)C(N)=O)C(C)(C)O
Show InChI InChI=1/C25H33FN4O3/c1-4-6-20(31)28-15-7-5-10-30(13-15)23-18(26)12-17(24(27)32)22-21(23)16-9-8-14(25(2,3)33)11-19(16)29-22/h12,14-16,19,29,33H,5,7-11,13H2,1-3H3,(H2,27,32)(H,28,31)/t14?,15-,16?,19?/s2
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Bristol-Myers Squibb Company

US Patent


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


US Patent US10266491 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM377360
PNG
(US10266491, Example 28)
Show SMILES CN(c1cccc(c1)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O)S(=O)(=O)C=C
Show InChI InChI=1S/C25H25N3O4S/c1-5-33(31,32)28(4)17-8-6-7-15(13-17)18-11-12-20(24(26)29)23-22(18)19-10-9-16(25(2,3)30)14-21(19)27-23/h5-14,27,30H,1H2,2-4H3,(H2,26,29)
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Bristol-Myers Squibb Company

US Patent


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


US Patent US10266491 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM377344
PNG
(US10266491, Example 12)
Show SMILES Cc1c(NC(=O)C=C)cccc1-c1ccc(C(N)=O)c2[nH]c3CCCCc3c12
Show InChI InChI=1S/C23H23N3O2/c1-3-20(27)25-18-10-6-8-14(13(18)2)15-11-12-17(23(24)28)22-21(15)16-7-4-5-9-19(16)26-22/h3,6,8,10-12,26H,1,4-5,7,9H2,2H3,(H2,24,28)(H,25,27)
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Bristol-Myers Squibb Company

US Patent


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


US Patent US10266491 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM377381
PNG
(US10266491, Example 49)
Show SMILES Cc1c(NS(=O)(=O)C=C)cccc1-c1ccc(C(N)=O)c2[nH]c3CCCCc3c12
Show InChI InChI=1S/C22H23N3O3S/c1-3-29(27,28)25-18-10-6-8-14(13(18)2)15-11-12-17(22(23)26)21-20(15)16-7-4-5-9-19(16)24-21/h3,6,8,10-12,24-25H,1,4-5,7,9H2,2H3,(H2,23,26)
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Bristol-Myers Squibb Company

US Patent


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


US Patent US10266491 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM377401
PNG
(US10266491, Example 73)
Show SMILES CC#CC(=O)N[C@H]1CCCN(C1)c1c(F)cc(C(N)=O)c2[nH]c3CCC(F)(F)Cc3c12
Show InChI InChI=1/C22H23F3N4O2/c1-2-4-17(30)27-12-5-3-8-29(11-12)20-15(23)9-13(21(26)31)19-18(20)14-10-22(24,25)7-6-16(14)28-19/h9,12,28H,3,5-8,10-11H2,1H3,(H2,26,31)(H,27,30)/t12-/s2
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Bristol-Myers Squibb Company

US Patent


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


US Patent US10266491 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM377361
PNG
(US10266491, Example 29)
Show SMILES Cc1c(NS(=O)(=O)C=C)cccc1-c1c(F)cc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O
Show InChI InChI=1S/C25H24FN3O4S/c1-5-34(32,33)29-19-8-6-7-15(13(19)2)21-18(26)12-17(24(27)30)23-22(21)16-10-9-14(25(3,4)31)11-20(16)28-23/h5-12,28-29,31H,1H2,2-4H3,(H2,27,30)
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Bristol-Myers Squibb Company

US Patent


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


US Patent US10266491 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM377418
PNG
(3-Fluoro-4-((2-vinylpyridin-4-yl)methyl)-9H-carbaz...)
Show SMILES NC(=O)c1cc(F)c(Cc2ccnc(C=C)c2)c2c3ccccc3[nH]c12
Show InChI InChI=1S/C21H16FN3O/c1-2-13-9-12(7-8-24-13)10-15-17(22)11-16(21(23)26)20-19(15)14-5-3-4-6-18(14)25-20/h2-9,11,25H,1,10H2,(H2,23,26)
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n/an/a 0.120n/an/an/an/an/an/a



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 US10266491 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM377362
PNG
(US10266491, Example 30)
Show SMILES CN(c1cccc(c1C)-c1c(F)cc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O)S(=O)(=O)C=C
Show InChI InChI=1S/C26H26FN3O4S/c1-6-35(33,34)30(5)21-9-7-8-16(14(21)2)22-19(27)13-18(25(28)31)24-23(22)17-11-10-15(26(3,4)32)12-20(17)29-24/h6-13,29,32H,1H2,2-5H3,(H2,28,31)
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n/an/a 0.120n/an/an/an/an/an/a



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 US10266491 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM377391
PNG
(US10266491, Example 59)
Show SMILES Cc1c(NC(=O)C=C)cccc1-c1c(Cl)cc(C(N)=O)c2[nH]c3CC(CCc3c12)C(C)(C)O
Show InChI InChI=1/C26H28ClN3O3/c1-5-21(31)29-19-8-6-7-15(13(19)2)22-18(27)12-17(25(28)32)24-23(22)16-10-9-14(26(3,4)33)11-20(16)30-24/h5-8,12,14,30,33H,1,9-11H2,2-4H3,(H2,28,32)(H,29,31)
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n/an/a 0.130n/an/an/an/an/an/a



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 US10266491 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM377338
PNG
(US10266491, Example 6)
Show SMILES Cc1c(NC(=O)C=C)cccc1-c1c(Cl)cc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O
Show InChI InChI=1S/C26H24ClN3O3/c1-5-21(31)29-19-8-6-7-15(13(19)2)22-18(27)12-17(25(28)32)24-23(22)16-10-9-14(26(3,4)33)11-20(16)30-24/h5-12,30,33H,1H2,2-4H3,(H2,28,32)(H,29,31)
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n/an/a 0.130n/an/an/an/an/an/a



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 US10266491 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM377359
PNG
(US10266491, Example 27)
Show SMILES CN(c1cccc(c1C)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O)S(=O)(=O)C=C
Show InChI InChI=1S/C26H27N3O4S/c1-6-34(32,33)29(5)22-9-7-8-17(15(22)2)18-12-13-20(25(27)30)24-23(18)19-11-10-16(26(3,4)31)14-21(19)28-24/h6-14,28,31H,1H2,2-5H3,(H2,27,30)
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n/an/a 0.140n/an/an/an/an/an/a



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 US10266491 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM377356
PNG
(US10266491, Example 24)
Show SMILES CN(c1cccc(c1)-c1c(F)cc(C(N)=O)c2[nH]c3C[C@@H](CCc3c12)C(C)(C)O)S(=O)(=O)C=C
Show InChI InChI=1/C25H28FN3O4S/c1-5-34(32,33)29(4)16-8-6-7-14(11-16)21-19(26)13-18(24(27)30)23-22(21)17-10-9-15(25(2,3)31)12-20(17)28-23/h5-8,11,13,15,28,31H,1,9-10,12H2,2-4H3,(H2,27,30)/t15-/s2
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n/an/a 0.150n/an/an/an/an/an/a



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 US10266491 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM377373
PNG
(US10266491, Example 41)
Show SMILES CC(C)(O)[C@@H]1CCc2c(C1)[nH]c1c(ccc(-c3cccc(NS(=O)(=O)C=C)c3)c21)C(N)=O
Show InChI InChI=1/C24H27N3O4S/c1-4-32(30,31)27-16-7-5-6-14(12-16)17-10-11-19(23(25)28)22-21(17)18-9-8-15(24(2,3)29)13-20(18)26-22/h4-7,10-12,15,26-27,29H,1,8-9,13H2,2-3H3,(H2,25,28)/t15-/s2
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n/an/a 0.160n/an/an/an/an/an/a



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 US10266491 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM377369
PNG
(US10266491, Example 37)
Show SMILES CN(C(=O)C=C)c1cccc(c1)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O
Show InChI InChI=1S/C26H25N3O3/c1-5-22(30)29(4)17-8-6-7-15(13-17)18-11-12-20(25(27)31)24-23(18)19-10-9-16(26(2,3)32)14-21(19)28-24/h5-14,28,32H,1H2,2-4H3,(H2,27,31)
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n/an/a 0.160n/an/an/an/an/an/a



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 US10266491 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM377369
PNG
(US10266491, Example 37)
Show SMILES CN(C(=O)C=C)c1cccc(c1)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O
Show InChI InChI=1S/C26H25N3O3/c1-5-22(30)29(4)17-8-6-7-15(13-17)18-11-12-20(25(27)31)24-23(18)19-10-9-16(26(2,3)32)14-21(19)28-24/h5-14,28,32H,1H2,2-4H3,(H2,27,31)
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n/an/a 0.160n/an/an/an/an/an/a



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 US10266491 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM377364
PNG
(US10266491, Example 32)
Show SMILES Cc1c(NS(=O)(=O)C=C)cccc1-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O
Show InChI InChI=1S/C25H25N3O4S/c1-5-33(31,32)28-20-8-6-7-16(14(20)2)17-11-12-19(24(26)29)23-22(17)18-10-9-15(25(3,4)30)13-21(18)27-23/h5-13,27-28,30H,1H2,2-4H3,(H2,26,29)
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n/an/a 0.160n/an/an/an/an/an/a



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 US10266491 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM377412
PNG
(US10266491, Example 92)
Show SMILES NC(=O)c1cc(F)c(-c2cccc3N(CCc23)C(=O)C=C)c2c3ccccc3[nH]c12
Show InChI InChI=1S/C24H18FN3O2/c1-2-20(29)28-11-10-13-14(7-5-9-19(13)28)21-17(25)12-16(24(26)30)23-22(21)15-6-3-4-8-18(15)27-23/h2-9,12,27H,1,10-11H2,(H2,26,30)
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n/an/a 0.170n/an/an/an/an/an/a



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 US10266491 (2019)

More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 200 total )  |  Next  |  Last  >>
* indicates data uncertainty>20%