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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°
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))
BDBM165960
PNG
(US9688629, 204 | US9688629, 205 | US9688629, 206)
Show SMILES Cc1[nH]c2c(cc(F)c(-c3cccc4CCN(Cc34)C(=O)C=C)c2c1C)C(N)=O
Show InChI InChI=1S/C23H22FN3O2/c1-4-19(28)27-9-8-14-6-5-7-15(17(14)11-27)21-18(24)10-16(23(25)29)22-20(21)12(2)13(3)26-22/h4-7,10,26H,1,8-9,11H2,2-3H3,(H2,25,29)
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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...


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


(Homo sapiens (human))
BDBM165511
PNG
(US9688629, 167 | US9688629, 168)
Show SMILES Cc1[nH]c2c(cc(F)c(N3CC4CCN(C4C3)C(=O)C=C)c2c1C)C(N)=O
Show InChI InChI=1S/C20H23FN4O2/c1-4-16(26)25-6-5-12-8-24(9-15(12)25)19-14(21)7-13(20(22)27)18-17(19)10(2)11(3)23-18/h4,7,12,15,23H,1,5-6,8-9H2,2-3H3,(H2,22,27)
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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...


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


(Homo sapiens (human))
BDBM165458
PNG
(US9688629, 136)
Show SMILES Cc1[nH]c2c(cc(F)c(N3CCC[C@@H](C3)NC(=O)C#CC3CC3)c2c1C)C(N)=O
Show InChI InChI=1S/C22H25FN4O2/c1-12-13(2)25-20-16(22(24)29)10-17(23)21(19(12)20)27-9-3-4-15(11-27)26-18(28)8-7-14-5-6-14/h10,14-15,25H,3-6,9,11H2,1-2H3,(H2,24,29)(H,26,28)/t15-/m0/s1
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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...


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


(Homo sapiens (human))
BDBM166569
PNG
(US9688629, 217 | US9688629, 218 | US9688629, 219)
Show SMILES Cc1[nH]c2c(cc(F)c(C3CCCN(C3)C(=O)C=C)c2c1C)C(N)=O
Show InChI InChI=1S/C19H22FN3O2/c1-4-15(24)23-7-5-6-12(9-23)17-14(20)8-13(19(21)25)18-16(17)10(2)11(3)22-18/h4,8,12,22H,1,5-7,9H2,2-3H3,(H2,21,25)
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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...


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


(Homo sapiens (human))
BDBM165334
PNG
(US9688629, 128)
Show SMILES CCCC#CC(=O)N[C@H]1CCCN(C1)c1c(F)cc(C(N)=O)c2[nH]c(C)c(C)c12
Show InChI InChI=1S/C22H27FN4O2/c1-4-5-6-9-18(28)26-15-8-7-10-27(12-15)21-17(23)11-16(22(24)29)20-19(21)13(2)14(3)25-20/h11,15,25H,4-5,7-8,10,12H2,1-3H3,(H2,24,29)(H,26,28)/t15-/m0/s1
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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...


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


(Homo sapiens (human))
BDBM165330
PNG
(US9688629, 126)
Show SMILES CCC#CC(=O)N[C@H]1CCCN(C1)c1c(F)cc(C(N)=O)c2[nH]c(C)c(C)c12
Show InChI InChI=1S/C21H25FN4O2/c1-4-5-8-17(27)25-14-7-6-9-26(11-14)20-16(22)10-15(21(23)28)19-18(20)12(2)13(3)24-19/h10,14,24H,4,6-7,9,11H2,1-3H3,(H2,23,28)(H,25,27)/t14-/m0/s1
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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...


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


(Homo sapiens (human))
BDBM164877
PNG
(US9688629, 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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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...


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


(Homo sapiens (human))
BDBM165523
PNG
(US9688629, 169 | US9688629, 170 | US9688629, 171 |...)
Show SMILES Cc1[nH]c2c(cc(F)c(-c3cccc4CN(CC(F)c34)C(=O)C=C)c2c1C)C(N)=O
Show InChI InChI=1S/C23H21F2N3O2/c1-4-18(29)28-9-13-6-5-7-14(20(13)17(25)10-28)21-16(24)8-15(23(26)30)22-19(21)11(2)12(3)27-22/h4-8,17,27H,1,9-10H2,2-3H3,(H2,26,30)
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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...


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


(Homo sapiens (human))
BDBM164805
PNG
(US9688629, 4)
Show SMILES Cc1[nH]c2c(ccc(-c3cccc(NS(=O)(=O)C=C)c3)c2c1C)C(N)=O
Show InChI InChI=1S/C19H19N3O3S/c1-4-26(24,25)22-14-7-5-6-13(10-14)15-8-9-16(19(20)23)18-17(15)11(2)12(3)21-18/h4-10,21-22H,1H2,2-3H3,(H2,20,23)
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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...


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


(Homo sapiens (human))
BDBM164717
PNG
(US9688629, 159 | US9688629, 160)
Show SMILES Cc1[nH]c2c(cc(F)c(N3CC4CCCN(C4C3)C(=O)C=C)c2c1C)C(N)=O
Show InChI InChI=1S/C21H25FN4O2/c1-4-17(27)26-7-5-6-13-9-25(10-16(13)26)20-15(22)8-14(21(23)28)19-18(20)11(2)12(3)24-19/h4,8,13,16,24H,1,5-7,9-10H2,2-3H3,(H2,23,28)
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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...


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


(Homo sapiens (human))
BDBM165995
PNG
(US9688629, 207)
Show SMILES Cc1[nH]c2c(cc(F)c(-c3ccc4CCN(C(=O)C=C)c4c3)c2c1C)C(N)=O
Show InChI InChI=1S/C22H20FN3O2/c1-4-18(27)26-8-7-13-5-6-14(9-17(13)26)20-16(23)10-15(22(24)28)21-19(20)11(2)12(3)25-21/h4-6,9-10,25H,1,7-8H2,2-3H3,(H2,24,28)
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Bristol-Myers Squibb Company

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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...


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


(Homo sapiens (human))
BDBM164638
PNG
(BDBM166759 | US9688629, 123)
Show SMILES CC#CC(=O)N[C@H]1CCCN(C1)c1c(F)cc(C(N)=O)c2[nH]c(C)c(C)c12
Show InChI InChI=1S/C20H23FN4O2/c1-4-6-16(26)24-13-7-5-8-25(10-13)19-15(21)9-14(20(22)27)18-17(19)11(2)12(3)23-18/h9,13,23H,5,7-8,10H2,1-3H3,(H2,22,27)(H,24,26)/t13-/m0/s1
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Bristol-Myers Squibb Company

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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...


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


(Homo sapiens (human))
BDBM164773
PNG
(US9688629, 173 | US9688629, 174)
Show SMILES CC#CC(=O)N1CCCC2CN(CC12)c1c(F)cc(C(N)=O)c2[nH]c(C)c(C)c12
Show InChI InChI=1S/C22H25FN4O2/c1-4-6-18(28)27-8-5-7-14-10-26(11-17(14)27)21-16(23)9-15(22(24)29)20-19(21)12(2)13(3)25-20/h9,14,17,25H,5,7-8,10-11H2,1-3H3,(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...


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


(Homo sapiens (human))
BDBM164713
PNG
(US9688629, 153 | US9688629, 154)
Show SMILES Cc1[nH]c2c(cc(F)c(-c3cccc4CN(CCc34)C(=O)C=C)c2c1C)C(N)=O
Show InChI InChI=1S/C23H22FN3O2/c1-4-19(28)27-9-8-15-14(11-27)6-5-7-16(15)21-18(24)10-17(23(25)29)22-20(21)12(2)13(3)26-22/h4-7,10,26H,1,8-9,11H2,2-3H3,(H2,25,29)
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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...


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


(Homo sapiens (human))
BDBM166785
PNG
(US9688629, 233)
Show SMILES Cc1[nH]c2c(cc(F)c(C3=CN(CCC3)C(=O)C=C)c2c1C)C(N)=O
Show InChI InChI=1S/C19H20FN3O2/c1-4-15(24)23-7-5-6-12(9-23)17-14(20)8-13(19(21)25)18-16(17)10(2)11(3)22-18/h4,8-9,22H,1,5-7H2,2-3H3,(H2,21,25)
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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...


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


(Homo sapiens (human))
BDBM164793
PNG
(US9688629, 231 | US9688629, 232)
Show SMILES Cc1[nH]c2c(cc(F)c(-c3cccc4CN(CC(F)(F)c34)C(=O)C=C)c2c1C)C(N)=O
Show InChI InChI=1S/C23H20F3N3O2/c1-4-17(30)29-9-13-6-5-7-14(20(13)23(25,26)10-29)19-16(24)8-15(22(27)31)21-18(19)11(2)12(3)28-21/h4-8,28H,1,9-10H2,2-3H3,(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...


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


(Homo sapiens (human))
BDBM164717
PNG
(US9688629, 159 | US9688629, 160)
Show SMILES Cc1[nH]c2c(cc(F)c(N3CC4CCCN(C4C3)C(=O)C=C)c2c1C)C(N)=O
Show InChI InChI=1S/C21H25FN4O2/c1-4-17(27)26-7-5-6-13-9-25(10-16(13)26)20-15(22)8-14(21(23)28)19-18(20)11(2)12(3)24-19/h4,8,13,16,24H,1,5-7,9-10H2,2-3H3,(H2,23,28)
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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...


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


(Homo sapiens (human))
BDBM166831
PNG
(US9688629, 242)
Show SMILES Cc1[nH]c2c(cc(F)c(N3CCC[C@@H](C3)NC(=O)C#C)c2c1C)C(N)=O
Show InChI InChI=1S/C19H21FN4O2/c1-4-15(25)23-12-6-5-7-24(9-12)18-14(20)8-13(19(21)26)17-16(18)10(2)11(3)22-17/h1,8,12,22H,5-7,9H2,2-3H3,(H2,21,26)(H,23,25)/t12-/m0/s1
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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...


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


(Homo sapiens (human))
BDBM164638
PNG
(BDBM166759 | US9688629, 123)
Show SMILES CC#CC(=O)N[C@H]1CCCN(C1)c1c(F)cc(C(N)=O)c2[nH]c(C)c(C)c12
Show InChI InChI=1S/C20H23FN4O2/c1-4-6-16(26)24-13-7-5-8-25(10-13)19-15(21)9-14(20(22)27)18-17(19)11(2)12(3)23-18/h9,13,23H,5,7-8,10H2,1-3H3,(H2,22,27)(H,24,26)/t13-/m0/s1
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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...


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


(Homo sapiens (human))
BDBM164875
PNG
(US9688629, 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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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...


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


(Homo sapiens (human))
BDBM165301
PNG
(US9688629, 97)
Show SMILES Cc1[nH]c2c(cc(F)c(-c3ccc4N(CCCc4c3)C(=O)C=C)c2c1C)C(N)=O
Show InChI InChI=1S/C23H22FN3O2/c1-4-19(28)27-9-5-6-14-10-15(7-8-18(14)27)21-17(24)11-16(23(25)29)22-20(21)12(2)13(3)26-22/h4,7-8,10-11,26H,1,5-6,9H2,2-3H3,(H2,25,29)
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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...


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


(Homo sapiens (human))
BDBM165583
PNG
(US9688629, 194 | US9688629, 195 | US9688629, 196)
Show SMILES Cc1[nH]c2c(cc(F)c(-c3cccc4N(CCSc34)C(=O)C=C)c2c1C)C(N)=O
Show InChI InChI=1S/C22H20FN3O2S/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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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...


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


(Homo sapiens (human))
BDBM165208
PNG
(US9688629, 33)
Show SMILES Cc1c[nH]c2c(ccc(-c3cccc(NS(=O)(=O)C=C)c3)c12)C(N)=O
Show InChI InChI=1S/C18H17N3O3S/c1-3-25(23,24)21-13-6-4-5-12(9-13)14-7-8-15(18(19)22)17-16(14)11(2)10-20-17/h3-10,20-21H,1H2,2H3,(H2,19,22)
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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...


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


(Homo sapiens (human))
BDBM165299
PNG
(US9688629, 95)
Show SMILES Cc1[nH]c2c(cc(F)c(-c3cccc4CN(CCc34)C(=O)C=C)c2c1C)C(N)=O
Show InChI InChI=1S/C23H22FN3O2/c1-4-19(28)27-9-8-15-14(11-27)6-5-7-16(15)21-18(24)10-17(23(25)29)22-20(21)12(2)13(3)26-22/h4-7,10,26H,1,8-9,11H2,2-3H3,(H2,25,29)
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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...


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


(Homo sapiens (human))
BDBM165563
PNG
(US9688629, 185)
Show SMILES Cc1[nH]c2c(cc(F)c(Cc3ccnc(C=C)c3)c2c1C)C(N)=O
Show InChI InChI=1S/C19H18FN3O/c1-4-13-7-12(5-6-22-13)8-14-16(20)9-15(19(21)24)18-17(14)10(2)11(3)23-18/h4-7,9,23H,1,8H2,2-3H3,(H2,21,24)
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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...


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


(Homo sapiens (human))
BDBM165577
PNG
(US9688629, 189 | US9688629, 190 | US9688629, 191)
Show SMILES Cc1[nH]c2c(cc(F)c(-c3cc(F)cc4CN(CCc34)C(=O)C=C)c2c1C)C(N)=O
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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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...


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


(Homo sapiens (human))
BDBM165582
PNG
(US9688629, 193)
Show SMILES Cc1[nH]c2c(cc(F)c(-c3cccc4N(CCc34)C(=O)C=C)c2c1C)C(N)=O
Show InChI InChI=1S/C22H20FN3O2/c1-4-18(27)26-9-8-13-14(6-5-7-17(13)26)20-16(23)10-15(22(24)28)21-19(20)11(2)12(3)25-21/h4-7,10,25H,1,8-9H2,2-3H3,(H2,24,28)
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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...


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


(Homo sapiens (human))
BDBM165328
PNG
(US9688629, 125)
Show SMILES CC#CC(=O)N(C)[C@H]1CCCN(C1)c1c(F)cc(C(N)=O)c2[nH]c(C)c(C)c12
Show InChI InChI=1S/C21H25FN4O2/c1-5-7-17(27)25(4)14-8-6-9-26(11-14)20-16(22)10-15(21(23)28)19-18(20)12(2)13(3)24-19/h10,14,24H,6,8-9,11H2,1-4H3,(H2,23,28)/t14-/m0/s1
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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...


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


(Homo sapiens (human))
BDBM165319
PNG
(US9688629, 115)
Show SMILES Cc1[nH]c2c(ccc(N3CCC[C@@H](C3)NC(=O)C#C)c2c1C)C(N)=O
Show InChI InChI=1S/C19H22N4O2/c1-4-16(24)22-13-6-5-9-23(10-13)15-8-7-14(19(20)25)18-17(15)11(2)12(3)21-18/h1,7-8,13,21H,5-6,9-10H2,2-3H3,(H2,20,25)(H,22,24)/t13-/m0/s1
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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...


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


(Homo sapiens (human))
BDBM165209
PNG
(US9688629, 34)
Show SMILES Cc1[nH]c2c(ccc(-c3cccc(NS(=O)(=O)C=C)c3C)c2c1C)C(N)=O
Show InChI InChI=1S/C20H21N3O3S/c1-5-27(25,26)23-17-8-6-7-14(12(17)3)15-9-10-16(20(21)24)19-18(15)11(2)13(4)22-19/h5-10,22-23H,1H2,2-4H3,(H2,21,24)
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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...


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


(Homo sapiens (human))
BDBM164876
PNG
(US9688629, 24)
Show SMILES CN(c1cccc(c1C)-c1ccc(C(N)=O)c2[nH]cc(C)c12)S(=O)(=O)C=C
Show InChI InChI=1S/C20H21N3O3S/c1-5-27(25,26)23(4)17-8-6-7-14(13(17)3)15-9-10-16(20(21)24)19-18(15)12(2)11-22-19/h5-11,22H,1H2,2-4H3,(H2,21,24)
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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...


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


(Homo sapiens (human))
BDBM165348
PNG
(US9688629, 132)
Show SMILES Cc1[nH]c2c(cc(F)c(-c3cccc4CN(Cc34)C(=O)C=C)c2c1C)C(N)=O
Show InChI InChI=1S/C22H20FN3O2/c1-4-18(27)26-9-13-6-5-7-14(16(13)10-26)20-17(23)8-15(22(24)28)21-19(20)11(2)12(3)25-21/h4-8,25H,1,9-10H2,2-3H3,(H2,24,28)
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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...


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


(Homo sapiens (human))
BDBM164714
PNG
(US9688629, 155 | US9688629, 156)
Show SMILES Cc1[nH]c2c(cc(F)c(-c3cccc4N(CCOc34)C(=O)C=C)c2c1C)C(N)=O
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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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...


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


(Homo sapiens (human))
BDBM165577
PNG
(US9688629, 189 | US9688629, 190 | US9688629, 191)
Show SMILES Cc1[nH]c2c(cc(F)c(-c3cc(F)cc4CN(CCc34)C(=O)C=C)c2c1C)C(N)=O
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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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...


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


(Homo sapiens (human))
BDBM165333
PNG
(US9688629, 127)
Show SMILES CCC#CC(=O)N(C)[C@H]1CCCN(C1)c1c(F)cc(C(N)=O)c2[nH]c(C)c(C)c12
Show InChI InChI=1S/C22H27FN4O2/c1-5-6-9-18(28)26(4)15-8-7-10-27(12-15)21-17(23)11-16(22(24)29)20-19(21)13(2)14(3)25-20/h11,15,25H,5,7-8,10,12H2,1-4H3,(H2,24,29)/t15-/m0/s1
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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...


Citation and Details
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
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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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...


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


(Homo sapiens (human))
BDBM165509
PNG
(US9688629, 165 | US9688629, 166)
Show SMILES Cc1[nH]c2c(cc(F)c(N3CCC4CN(CC34)C(=O)C=C)c2c1C)C(N)=O
Show InChI InChI=1S/C20H23FN4O2/c1-4-16(26)24-8-12-5-6-25(15(12)9-24)19-14(21)7-13(20(22)27)18-17(19)10(2)11(3)23-18/h4,7,12,15,23H,1,5-6,8-9H2,2-3H3,(H2,22,27)
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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...


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


(Homo sapiens (human))
BDBM166569
PNG
(US9688629, 217 | US9688629, 218 | US9688629, 219)
Show SMILES Cc1[nH]c2c(cc(F)c(C3CCCN(C3)C(=O)C=C)c2c1C)C(N)=O
Show InChI InChI=1S/C19H22FN3O2/c1-4-15(24)23-7-5-6-12(9-23)17-14(20)8-13(19(21)25)18-16(17)10(2)11(3)22-18/h4,8,12,22H,1,5-7,9H2,2-3H3,(H2,21,25)
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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...


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


(Homo sapiens (human))
BDBM165303
PNG
(US9688629, 99)
Show SMILES Cc1[nH]c2c(cc(F)c(-c3ccc4CCCN(C(=O)C=C)c4c3)c2c1C)C(N)=O
Show InChI InChI=1S/C23H22FN3O2/c1-4-19(28)27-9-5-6-14-7-8-15(10-18(14)27)21-17(24)11-16(23(25)29)22-20(21)12(2)13(3)26-22/h4,7-8,10-11,26H,1,5-6,9H2,2-3H3,(H2,25,29)
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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...


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


(Homo sapiens (human))
BDBM166857
PNG
(US9688629, 243)
Show SMILES CC#CC(=O)N[C@@H]1CCCN(C1)c1c(F)cc(C(N)=O)c2[nH]c(C)c(C)c12
Show InChI InChI=1S/C20H23FN4O2/c1-4-6-16(26)24-13-7-5-8-25(10-13)19-15(21)9-14(20(22)27)18-17(19)11(2)12(3)23-18/h9,13,23H,5,7-8,10H2,1-3H3,(H2,22,27)(H,24,26)/t13-/m1/s1
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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...


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


(Homo sapiens (human))
BDBM166565
PNG
(US9688629, 216)
Show SMILES Cc1[nH]c2c(cc(F)c(C3=CCCN(C3)C(=O)C=C)c2c1C)C(N)=O
Show InChI InChI=1S/C19H20FN3O2/c1-4-15(24)23-7-5-6-12(9-23)17-14(20)8-13(19(21)25)18-16(17)10(2)11(3)22-18/h4,6,8,22H,1,5,7,9H2,2-3H3,(H2,21,25)
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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...


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


(Homo sapiens (human))
BDBM166761
PNG
(US9688629, 224)
Show SMILES Cc1[nH]c2c(cc(I)c(-c3cccc4CN(CCc34)C(=O)C=C)c2c1C)C(N)=O
Show InChI InChI=1S/C23H22IN3O2/c1-4-19(28)27-9-8-15-14(11-27)6-5-7-16(15)21-18(24)10-17(23(25)29)22-20(21)12(2)13(3)26-22/h4-7,10,26H,1,8-9,11H2,2-3H3,(H2,25,29)
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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...


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


(Homo sapiens (human))
BDBM166011
PNG
(US9688629, 209 | US9688629, 210 | US9688629, 211)
Show SMILES Cc1[nH]c2c(cc(F)c(-c3cccc4CN(CCc34)C(=O)C=C)c2c1C1CC1)C(N)=O
Show InChI InChI=1S/C25H24FN3O2/c1-3-20(30)29-10-9-16-15(12-29)5-4-6-17(16)22-19(26)11-18(25(27)31)24-23(22)21(13(2)28-24)14-7-8-14/h3-6,11,14,28H,1,7-10,12H2,2H3,(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...


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


(Homo sapiens (human))
BDBM166824
PNG
(US9688629, 239 | US9688629, 240 | US9688629, 264)
Show SMILES Cc1[nH]c2c(cc(Cl)c(-c3cccc4CN(CCc34)C(=O)C=C)c2c1C)C(N)=O
Show InChI InChI=1S/C23H22ClN3O2/c1-4-19(28)27-9-8-15-14(11-27)6-5-7-16(15)21-18(24)10-17(23(25)29)22-20(21)12(2)13(3)26-22/h4-7,10,26H,1,8-9,11H2,2-3H3,(H2,25,29)
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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...


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


(Homo sapiens (human))
BDBM165481
PNG
(US9688629, 146)
Show SMILES Cc1[nH]c2c(cc(F)c(N3CCC[C@@H](C3)NS(=O)(=O)C=C)c2c1C)C(N)=O
Show InChI InChI=1S/C18H23FN4O3S/c1-4-27(25,26)22-12-6-5-7-23(9-12)17-14(19)8-13(18(20)24)16-15(17)10(2)11(3)21-16/h4,8,12,21-22H,1,5-7,9H2,2-3H3,(H2,20,24)/t12-/m0/s1
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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...


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


(Homo sapiens (human))
BDBM166787
PNG
(US9688629, 234)
Show SMILES Cc1[nH]c2c(cc(F)c(C3=CCN(C3)C(=O)C=C)c2c1C)C(N)=O
Show InChI InChI=1S/C18H18FN3O2/c1-4-14(23)22-6-5-11(8-22)16-13(19)7-12(18(20)24)17-15(16)9(2)10(3)21-17/h4-5,7,21H,1,6,8H2,2-3H3,(H2,20,24)
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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...


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


(Homo sapiens (human))
BDBM164874
PNG
(US9688629, 22)
Show SMILES Cc1[nH]c2c(ccc(-c3cccc(NC(=O)C=C)c3)c2c1C)C(N)=O
Show InChI InChI=1S/C20H19N3O2/c1-4-17(24)23-14-7-5-6-13(10-14)15-8-9-16(20(21)25)19-18(15)11(2)12(3)22-19/h4-10,22H,1H2,2-3H3,(H2,21,25)(H,23,24)
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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...


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


(Homo sapiens (human))
BDBM165343
PNG
(US9688629, 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
Show InChI InChI=1S/C22H27FN4O2/c1-5-8-18(28)27(6-2)15-9-7-10-26(12-15)21-17(23)11-16(22(24)29)20-19(21)13(3)14(4)25-20/h11,15,25H,6-7,9-10,12H2,1-4H3,(H2,24,29)/t15-/m0/s1
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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...


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


(Homo sapiens (human))
BDBM165583
PNG
(US9688629, 194 | US9688629, 195 | US9688629, 196)
Show SMILES Cc1[nH]c2c(cc(F)c(-c3cccc4N(CCSc34)C(=O)C=C)c2c1C)C(N)=O
Show InChI InChI=1S/C22H20FN3O2S/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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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...


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


(Homo sapiens (human))
BDBM164959
PNG
(US9688629, 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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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...


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