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Patent code US10676434

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
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM377365
PNG
(US10266491, Example 33 | US10676434, Example 33)
Show SMILES CC(C)(O)c1ccc2c(c1)[nH]c1c(ccc(-c3cccc(NS(=O)(=O)C=C)c3)c21)C(N)=O
Show InChI InChI=1S/C24H23N3O4S/c1-4-32(30,31)27-16-7-5-6-14(12-16)17-10-11-19(23(25)28)22-21(17)18-9-8-15(24(2,3)29)13-20(18)26-22/h4-13,26-27,29H,1H2,2-3H3,(H2,25,28)
PDB
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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 US10676434 (2020)

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


(Homo sapiens (Human))
BDBM377391
PNG
(US10266491, Example 59 | US10676434, Example 60)
Show SMILES Cc1c(NC(=O)C=C)cccc1-c1c(Cl)cc(C(N)=O)c2[nH]c3CC(CCc3c12)C(C)(C)O
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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 US10676434 (2020)

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


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

US Patent


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


US Patent US10676434 (2020)

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 US10676434 (2020)

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


(Homo sapiens (Human))
BDBM377415
PNG
(US10266491, Example 97 | US10266491, Example 98 | ...)
Show SMILES NC(=O)c1cc(F)c(C2CCCN(C2)C(=O)C=C)c2c3ccccc3[nH]c12
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n/an/a 0.0500n/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 US10676434 (2020)

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


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

US Patent


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


US Patent US10676434 (2020)

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


(Homo sapiens (Human))
BDBM377404
PNG
(US10266491, Example 76 | US10676434, Example 76)
Show SMILES NC(=O)c1cc(F)c(N2CCC[C@@H](C2)NC(=O)C#CC2CC2)c2c3ccccc3[nH]c12
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n/an/a 0.0520n/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 US10676434 (2020)

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


(Homo sapiens (Human))
BDBM377370
PNG
(US10266491, Example 38 | US10676434, 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 US10676434 (2020)

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
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n/an/a 0.0670n/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 US10676434 (2020)

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


(Homo sapiens (Human))
BDBM377363
PNG
(US10266491, Example 31 | US10676434, 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 US10676434 (2020)

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


(Homo sapiens (Human))
BDBM450476
PNG
(Cis-4-(1-acryloylhexahydropyrrolo[3,4-b]pyrrol-5(1...)
Show SMILES NC(=O)c1cc(F)c(N2C[C@H]3CCN([C@H]3C2)C(=O)C=C)c2c3ccccc3[nH]c12
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Bristol-Myers Squibb Company

US Patent


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


US Patent US10676434 (2020)

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
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Bristol-Myers Squibb Company

US Patent


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


US Patent US10676434 (2020)

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


(Homo sapiens (Human))
BDBM377399
PNG
(US10266491, Example 69 | US10676434, Example 69)
Show SMILES NC(=O)c1cc(F)c(N2CCC[C@@H](C2)NC(=O)C=C)c2c3ccccc3[nH]c12
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Bristol-Myers Squibb Company

US Patent


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


US Patent US10676434 (2020)

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
PDB
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Bristol-Myers Squibb Company

US Patent


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


US Patent US10676434 (2020)

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


(Homo sapiens (Human))
BDBM377347
PNG
(US10266491, Example 15 | US10676434, 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 US10676434 (2020)

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


(Homo sapiens (Human))
BDBM377340
PNG
(US10266491, Example 8 | US10676434, Example 8)
Show SMILES Cc1c(NC(=O)C=C)cccc1-c1c(Cl)cc(C(N)=O)c2[nH]c3CC(CO)CCc3c12
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Bristol-Myers Squibb Company

US Patent


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


US Patent US10676434 (2020)

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


(Homo sapiens (Human))
BDBM377345
PNG
(US10266491, Example 13 | US10676434, Example 13)
Show SMILES Cc1c(NS(=O)(=O)C=C)cccc1-c1ccc(C(N)=O)c2[nH]c3CC(CCc3c12)C(C)(C)O
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Bristol-Myers Squibb Company

US Patent


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


US Patent US10676434 (2020)

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
PDB
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Bristol-Myers Squibb Company

US Patent


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


US Patent US10676434 (2020)

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


(Homo sapiens (Human))
BDBM377348
PNG
(US10266491, Example 16 | US10676434, Example 16)
Show SMILES Cc1c(NC(=O)C=C)cccc1-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(O)CO
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Bristol-Myers Squibb Company

US Patent


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


US Patent US10676434 (2020)

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
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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 US10676434 (2020)

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
PDB
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Bristol-Myers Squibb Company

US Patent


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


US Patent US10676434 (2020)

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


(Homo sapiens (Human))
BDBM377379
PNG
(US10266491, Example 47 | US10676434, 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
PDB
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n/an/a 0.0950n/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 US10676434 (2020)

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


(Homo sapiens (Human))
BDBM377380
PNG
(US10266491, Example 48 | US10676434, 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)
PDB
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n/an/a 0.0950n/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 US10676434 (2020)

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


(Homo sapiens (Human))
BDBM377378
PNG
(US10266491, Example 46 | US10676434, Example 46)
Show SMILES CN(c1cccc(c1Cl)-c1ccc(C(N)=O)c2[nH]c3CC(CCc3c12)C(C)(C)O)S(=O)(=O)C=C
PDB
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n/an/a 0.0990n/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 US10676434 (2020)

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


(Homo sapiens (Human))
BDBM377349
PNG
(US10266491, Example 17 | US10676434, 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 US10676434 (2020)

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 US10676434 (2020)

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
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Bristol-Myers Squibb Company

US Patent


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


US Patent US10676434 (2020)

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


(Homo sapiens (Human))
BDBM450472
PNG
(Cis-4-(1-acryloyloctahydro-6H-pyrrolo[3,4-b]pyridi...)
Show SMILES NC(=O)c1cc(F)c(N2C[C@H]3CCCN([C@H]3C2)C(=O)C=C)c2c3ccccc3[nH]c12
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Bristol-Myers Squibb Company

US Patent


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


US Patent US10676434 (2020)

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


(Homo sapiens (Human))
BDBM377438
PNG
(5-((S)-3-(But-2-ynamido)piperidin-1-yl)-6-fluoro-2...)
Show SMILES CC#CC(=O)N[C@H]1CCCN(C1)c1c(F)cc(C(N)=O)c2[nH]c3CC(CCc3c12)C(C)(C)O
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Bristol-Myers Squibb Company

US Patent


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


US Patent US10676434 (2020)

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
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Bristol-Myers Squibb Company

US Patent


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


US Patent US10676434 (2020)

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
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Bristol-Myers Squibb Company

US Patent


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


US Patent US10676434 (2020)

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


(Homo sapiens (Human))
BDBM377414
PNG
(US10266491, Example 96 | US10676434, 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 US10676434 (2020)

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
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Bristol-Myers Squibb Company

US Patent


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


US Patent US10676434 (2020)

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 US10676434 (2020)

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


(Homo sapiens (Human))
BDBM377360
PNG
(US10266491, Example 28 | US10676434, 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 US10676434 (2020)

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


(Homo sapiens (Human))
BDBM377381
PNG
(US10266491, Example 49 | US10676434, 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 US10676434 (2020)

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


(Homo sapiens (Human))
BDBM377344
PNG
(US10266491, Example 12 | US10676434, 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 US10676434 (2020)

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


(Homo sapiens (Human))
BDBM377401
PNG
(US10266491, Example 73 | US10676434, Example 73)
Show SMILES CC#CC(=O)N[C@H]1CCCN(C1)c1c(F)cc(C(N)=O)c2[nH]c3CCC(F)(F)Cc3c12
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Bristol-Myers Squibb Company

US Patent


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


US Patent US10676434 (2020)

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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Bristol-Myers Squibb Company

US Patent


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


US Patent US10676434 (2020)

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


(Homo sapiens (Human))
BDBM377362
PNG
(US10266491, Example 30 | US10676434, 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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Bristol-Myers Squibb Company

US Patent


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


US Patent US10676434 (2020)

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


(Homo sapiens (Human))
BDBM377361
PNG
(US10266491, Example 29 | US10676434, 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 US10676434 (2020)

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


(Homo sapiens (Human))
BDBM377391
PNG
(US10266491, Example 59 | US10676434, Example 60)
Show SMILES Cc1c(NC(=O)C=C)cccc1-c1c(Cl)cc(C(N)=O)c2[nH]c3CC(CCc3c12)C(C)(C)O
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Bristol-Myers Squibb Company

US Patent


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


US Patent US10676434 (2020)

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


(Homo sapiens (Human))
BDBM377338
PNG
(US10266491, Example 6 | US10676434, 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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Bristol-Myers Squibb Company

US Patent


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


US Patent US10676434 (2020)

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


(Homo sapiens (Human))
BDBM377359
PNG
(US10266491, Example 27 | US10676434, 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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Bristol-Myers Squibb Company

US Patent


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


US Patent US10676434 (2020)

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


(Homo sapiens (Human))
BDBM377356
PNG
(US10266491, Example 24 | US10676434, 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
PDB
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Bristol-Myers Squibb Company

US Patent


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


US Patent US10676434 (2020)

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


(Homo sapiens (Human))
BDBM377373
PNG
(US10266491, Example 41 | US10676434, 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
PDB
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Bristol-Myers Squibb Company

US Patent


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


US Patent US10676434 (2020)

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


(Homo sapiens (Human))
BDBM450411
PNG
(US10676434, Example 37)
Show SMILES C\C=C\C(=O)N(C)c1cccc(c1)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O
Show InChI InChI=1S/C27H27N3O3/c1-5-7-23(31)30(4)18-9-6-8-16(14-18)19-12-13-21(26(28)32)25-24(19)20-11-10-17(27(2,3)33)15-22(20)29-25/h5-15,29,33H,1-4H3,(H2,28,32)/b7-5+
PDB
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n/an/a 0.160n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
A test compound was incubated with human recombinant Btk (100 nM) for 1.5 h at a concentration of 25 times the IC50 of Btk inhibition or 200 nM (whic...


US Patent US10676434 (2020)

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


(Homo sapiens (Human))
BDBM450411
PNG
(US10676434, Example 37)
Show SMILES C\C=C\C(=O)N(C)c1cccc(c1)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O
Show InChI InChI=1S/C27H27N3O3/c1-5-7-23(31)30(4)18-9-6-8-16(14-18)19-12-13-21(26(28)32)25-24(19)20-11-10-17(27(2,3)33)15-22(20)29-25/h5-15,29,33H,1-4H3,(H2,28,32)/b7-5+
PDB
MMDB

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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 US10676434 (2020)

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


(Homo sapiens (Human))
BDBM377364
PNG
(US10266491, Example 32 | US10676434, 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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PC cid
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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 US10676434 (2020)

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


(Homo sapiens (Human))
BDBM377412
PNG
(US10266491, Example 92 | US10676434, 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)
PDB
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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 US10676434 (2020)

More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%