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Patent code US9714234

Compile Data Set for Download or QSAR
Found 70 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))
BDBM264158
PNG
(US9714234, 33)
Show SMILES Cc1c(cccc1-n1c(=O)n(C)c2c(F)cccc2c1=O)-c1ccc(C(N)=O)c2[nH]c3c(F)c(ccc3c12)C(C)(C)O
Show InChI InChI=1S/C32H26F2N4O4/c1-15-16(7-6-10-23(15)38-30(40)20-8-5-9-22(33)28(20)37(4)31(38)41)17-11-12-19(29(35)39)26-24(17)18-13-14-21(32(2,3)42)25(34)27(18)36-26/h5-14,36,42H,1-4H3,(H2,35,39)
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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))
BDBM264140
PNG
(4-(3-(S)-(5-Chloro-1,3-dioxo-1H-pyrido[1,2-c]pyrim...)
Show SMILES Cc1c(cccc1-n1c(=O)cc2c(Cl)cccn2c1=O)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O
Show InChI InChI=1S/C31H25ClN4O4/c1-16-18(6-4-8-24(16)36-26(37)15-25-22(32)7-5-13-35(25)30(36)39)19-11-12-21(29(33)38)28-27(19)20-10-9-17(31(2,3)40)14-23(20)34-28/h4-15,34,40H,1-3H3,(H2,33,38)
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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))
BDBM264137
PNG
(7-(2-Hydroxypropan-2-yl)-4-(3-(5-methoxy-1,3-dioxo...)
Show SMILES COc1cccn2c1cc(=O)n(-c1cccc(c1C)-c1ccc(C(N)=O)c3[nH]c4cc(ccc4c13)C(C)(C)O)c2=O
Show InChI InChI=1S/C32H28N4O5/c1-17-19(7-5-8-24(17)36-27(37)16-25-26(41-4)9-6-14-35(25)31(36)39)20-12-13-22(30(33)38)29-28(20)21-11-10-18(32(2,3)40)15-23(21)34-29/h5-16,34,40H,1-4H3,(H2,33,38)
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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))
BDBM264156
PNG
(US9714234, 31)
Show SMILES Cc1c(cccc1-n1c(=O)cc2c(Cl)cccn2c1=O)-c1ccc(C(N)=O)c2[nH]c3cc(CN4CCCC4)ccc3c12
Show InChI InChI=1S/C33H28ClN5O3/c1-19-21(6-4-8-27(19)39-29(40)17-28-25(34)7-5-15-38(28)33(39)42)22-11-12-24(32(35)41)31-30(22)23-10-9-20(16-26(23)36-31)18-37-13-2-3-14-37/h4-12,15-17,36H,2-3,13-14,18H2,1H3,(H2,35,41)
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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))
BDBM264149
PNG
(8-Fluoro-1-methyl(d3)-3-(S)-(2-methyl-3-(4,4,5,5-t...)
Show SMILES Cc1c(cccc1-n1c(=O)n(C)c2c(F)cccc2c1=O)B1OC(C)(C)C(C)(C)O1
Show InChI InChI=1S/C22H24BFN2O4/c1-13-15(23-29-21(2,3)22(4,5)30-23)10-8-12-17(13)26-19(27)14-9-7-11-16(24)18(14)25(6)20(26)28/h7-12H,1-6H3
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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))
BDBM264136
PNG
(2-(3-Bromo-2-methylphenyl)-6-methoxy-1H-pyrido[1,2...)
Show SMILES COc1ccn2c(c1)cc(=O)n(-c1cccc(Br)c1C)c2=O
Show InChI InChI=1S/C16H13BrN2O3/c1-10-13(17)4-3-5-14(10)19-15(20)9-11-8-12(22-2)6-7-18(11)16(19)21/h3-9H,1-2H3
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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))
BDBM264150
PNG
(4-(3-(S)-(8-Fluoro-1-methyl-2,4-dioxo-1,2-dihydroq...)
Show SMILES Cc1cc(cc2[nH]c3c(ccc(-c4cccc(c4C)-n4c(=O)n(C)c5c(F)cccc5c4=O)c3c12)C(N)=O)C(C)(C)O
Show InChI InChI=1S/C33H29FN4O4/c1-16-14-18(33(3,4)42)15-24-26(16)27-20(12-13-21(30(35)39)28(27)36-24)19-8-7-11-25(17(19)2)38-31(40)22-9-6-10-23(34)29(22)37(5)32(38)41/h6-15,36,42H,1-5H3,(H2,35,39)
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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))
BDBM264151
PNG
(4-(3-(S)-(8-Fluoro-1-methyl-2,4-dioxo-1,2-dihydroq...)
Show SMILES Cc1c(cccc1-n1c(=O)n(C)c2c(F)cccc2c1=O)-c1ccc(C(N)=O)c2[nH]c3c(C)c(ccc3c12)C(C)(C)O
Show InChI InChI=1S/C33H29FN4O4/c1-16-18(8-7-11-25(16)38-31(40)22-9-6-10-24(34)29(22)37(5)32(38)41)19-12-13-21(30(35)39)28-26(19)20-14-15-23(33(3,4)42)17(2)27(20)36-28/h6-15,36,42H,1-5H3,(H2,35,39)
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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))
BDBM264130
PNG
(3-(3-Bromo-2-methylphenyl)-8-fluoro-1-methyl(d3)qu...)
Show SMILES Cc1c(Br)cccc1-n1c(=O)n(C)c2c(F)cccc2c1=O
Show InChI InChI=1S/C16H12BrFN2O2/c1-9-11(17)6-4-8-13(9)20-15(21)10-5-3-7-12(18)14(10)19(2)16(20)22/h3-8H,1-2H3
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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))
BDBM264146
PNG
(4-(3-(5-Fluoro-1,3-dioxo-1H-pyrido[1,2-c]pyrimidin...)
Show SMILES Cc1c(cccc1-n1c(=O)cc2c(F)cccn2c1=O)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O
Show InChI InChI=1S/C31H25FN4O4/c1-16-18(6-4-8-24(16)36-26(37)15-25-22(32)7-5-13-35(25)30(36)39)19-11-12-21(29(33)38)28-27(19)20-10-9-17(31(2,3)40)14-23(20)34-28/h4-15,34,40H,1-3H3,(H2,33,38)
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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))
BDBM264138
PNG
(5-Chloro-2-(2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-...)
Show SMILES Cc1c(cccc1-n1c(=O)cc2c(Cl)cccn2c1=O)B1OC(C)(C)C(C)(C)O1
Show InChI InChI=1S/C21H22BClN2O4/c1-13-14(22-28-20(2,3)21(4,5)29-22)8-6-10-16(13)25-18(26)12-17-15(23)9-7-11-24(17)19(25)27/h6-12H,1-5H3
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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))
BDBM264139
PNG
(4-(3-(R)-(5-Chloro-1,3-dioxo-1H-pyrido[1,2-c]pyrim...)
Show SMILES Cc1c(cccc1-n1c(=O)cc2c(Cl)cccn2c1=O)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O
Show InChI InChI=1S/C31H25ClN4O4/c1-16-18(6-4-8-24(16)36-26(37)15-25-22(32)7-5-13-35(25)30(36)39)19-11-12-21(29(33)38)28-27(19)20-10-9-17(31(2,3)40)14-23(20)34-28/h4-15,34,40H,1-3H3,(H2,33,38)
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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))
BDBM264155
PNG
(US9714234, 30)
Show SMILES CC(=O)NCc1ccc2c(c1)[nH]c1c(ccc(-c3cccc(c3C)-n3c(=O)cc4c(F)cccn4c3=O)c21)C(N)=O
Show InChI InChI=1S/C31H24FN5O4/c1-16-19(5-3-7-25(16)37-27(39)14-26-23(32)6-4-12-36(26)31(37)41)20-10-11-22(30(33)40)29-28(20)21-9-8-18(13-24(21)35-29)15-34-17(2)38/h3-14,35H,15H2,1-2H3,(H2,33,40)(H,34,38)
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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))
BDBM264148
PNG
(4-Bromo-7-(2-hydroxypropan-2-yl)-8-methyl-9H-carba...)
Show SMILES Cc1cc(c(C)c2[nH]c3c(ccc(Br)c3c12)C(N)=O)C(C)(C)O
Show InChI InChI=1S/C18H19BrN2O2/c1-8-7-11(18(3,4)23)9(2)15-13(8)14-12(19)6-5-10(17(20)22)16(14)21-15/h5-7,21,23H,1-4H3,(H2,20,22)
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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))
BDBM264152
PNG
(4-(3-(S)-(8-Fluoro-1-methyl(d3)-2,4-dioxo-1,2-dihy...)
Show SMILES Cc1cc(cc2[nH]c3c(ccc(-c4cccc(c4C)-n4c(=O)n(C)c5c(F)cccc5c4=O)c3c12)C(N)=O)C(C)(C)O
Show InChI InChI=1S/C33H29FN4O4/c1-16-14-18(33(3,4)42)15-24-26(16)27-20(12-13-21(30(35)39)28(27)36-24)19-8-7-11-25(17(19)2)38-31(40)22-9-6-10-23(34)29(22)37(5)32(38)41/h6-15,36,42H,1-5H3,(H2,35,39)
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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))
BDBM264135
PNG
(2-(3-Bromo-2-methylphenyl)-5-methoxy-1H-pyrido[1,2...)
Show SMILES COc1cccn2c1cc(=O)n(-c1cccc(Br)c1C)c2=O
Show InChI InChI=1S/C16H13BrN2O3/c1-10-11(17)5-3-6-12(10)19-15(20)9-13-14(22-2)7-4-8-18(13)16(19)21/h3-9H,1-2H3
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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))
BDBM264126
PNG
(4-(3-(8-Fluoro-2,4-dioxo-1,2-dihydroquinazolin-3(4...)
Show SMILES Cc1c(cccc1-n1c(=O)[nH]c2c(F)cccc2c1=O)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O
Show InChI InChI=1S/C31H25FN4O4/c1-15-17(6-5-9-24(15)36-29(38)21-7-4-8-22(32)26(21)35-30(36)39)18-12-13-20(28(33)37)27-25(18)19-11-10-16(31(2,3)40)14-23(19)34-27/h4-14,34,40H,1-3H3,(H2,33,37)(H,35,39)
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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))
BDBM264154
PNG
(US9714234, 29)
Show SMILES CN(C)c1ccc2c(c1)[nH]c1c(ccc(-c3cccc(c3C)-n3c(=O)cc4c(F)cccn4c3=O)c21)C(N)=O
Show InChI InChI=1S/C30H24FN5O3/c1-16-18(6-4-8-24(16)36-26(37)15-25-22(31)7-5-13-35(25)30(36)39)19-11-12-21(29(32)38)28-27(19)20-10-9-17(34(2)3)14-23(20)33-28/h4-15,33H,1-3H3,(H2,32,38)
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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))
BDBM264153
PNG
(US9714234, 28)
Show SMILES Cc1c(cccc1-n1c(=O)cc2c(F)cccn2c1=O)-c1ccc(C(N)=O)c2[nH]c3cc(CO)ccc3c12
Show InChI InChI=1S/C29H21FN4O4/c1-15-17(4-2-6-23(15)34-25(36)13-24-21(30)5-3-11-33(24)29(34)38)18-9-10-20(28(31)37)27-26(18)19-8-7-16(14-35)12-22(19)32-27/h2-13,32,35H,14H2,1H3,(H2,31,37)
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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))
BDBM264145
PNG
(4-(3-(5,7-Dioxo-5H-thiazolo[3,2-c]pyrimidin-6(7H)-...)
Show SMILES Cc1c(cccc1-n1c(=O)cc2sccn2c1=O)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O
Show InChI InChI=1S/C29H24N4O4S/c1-15-17(5-4-6-22(15)33-23(34)14-24-32(28(33)36)11-12-38-24)18-9-10-20(27(30)35)26-25(18)19-8-7-16(29(2,3)37)13-21(19)31-26/h4-14,31,37H,1-3H3,(H2,30,35)
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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))
BDBM264144
PNG
(5-Fluoro-2-(2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-...)
Show SMILES Cc1c(cccc1-n1c(=O)cc2c(F)cccn2c1=O)B1OC(C)(C)C(C)(C)O1
Show InChI InChI=1S/C21H22BFN2O4/c1-13-14(22-28-20(2,3)21(4,5)29-22)8-6-10-16(13)25-18(26)12-17-15(23)9-7-11-24(17)19(25)27/h6-12H,1-5H3
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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))
BDBM264142
PNG
(4-(3-(5-Chloro-1,3-dioxo-1H-pyrido[1,2-c]pyrimidin...)
Show SMILES Cc1c(cccc1-n1c(=O)cc2c(Cl)cccn2c1=O)-c1ccc(C(N)=O)c2[nH]c3cc(CCO)ccc3c12
Show InChI InChI=1S/C30H23ClN4O4/c1-16-18(4-2-6-24(16)35-26(37)15-25-22(31)5-3-12-34(25)30(35)39)19-9-10-21(29(32)38)28-27(19)20-8-7-17(11-13-36)14-23(20)33-28/h2-10,12,14-15,33,36H,11,13H2,1H3,(H2,32,38)
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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))
BDBM264132
PNG
(7-(2-Hydroxypropan-2-yl)-4-(3-(8-methoxy-1-methyl-...)
Show SMILES COc1cccc2c1n(C)c(=O)n(-c1cccc(c1C)-c1ccc(C(N)=O)c3[nH]c4cc(ccc4c13)C(C)(C)O)c2=O
Show InChI InChI=1S/C33H30N4O5/c1-17-19(8-6-10-25(17)37-31(39)23-9-7-11-26(42-5)29(23)36(4)32(37)40)20-14-15-22(30(34)38)28-27(20)21-13-12-18(33(2,3)41)16-24(21)35-28/h6-16,35,41H,1-5H3,(H2,34,38)
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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))
BDBM264146
PNG
(4-(3-(5-Fluoro-1,3-dioxo-1H-pyrido[1,2-c]pyrimidin...)
Show SMILES Cc1c(cccc1-n1c(=O)cc2c(F)cccn2c1=O)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O
Show InChI InChI=1S/C31H25FN4O4/c1-16-18(6-4-8-24(16)36-26(37)15-25-22(32)7-5-13-35(25)30(36)39)19-11-12-21(29(33)38)28-27(19)20-10-9-17(31(2,3)40)14-23(20)34-28/h4-15,34,40H,1-3H3,(H2,33,38)
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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))
BDBM264141
PNG
(4-(3-(5-Chloro-1,3-dioxo-1H-pyrido[1,2-c]pyrimidin...)
Show SMILES Cc1c(cccc1-n1c(=O)cc2c(Cl)cccn2c1=O)-c1ccc(C(N)=O)c2[nH]c3cc(NC(=O)C(C)(C)C)ccc3c12
Show InChI InChI=1S/C33H28ClN5O4/c1-17-19(7-5-9-25(17)39-27(40)16-26-23(34)8-6-14-38(26)32(39)43)20-12-13-22(30(35)41)29-28(20)21-11-10-18(15-24(21)37-29)36-31(42)33(2,3)4/h5-16,37H,1-4H3,(H2,35,41)(H,36,42)
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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))
BDBM264134
PNG
(4-(3-(3-(4-Fluorophenyl)-2,6-dioxo-2,3-dihydropyri...)
Show SMILES Cc1c(cccc1-n1c(=O)ccn(-c2ccc(F)cc2)c1=O)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O
Show InChI InChI=1S/C33H27FN4O4/c1-18-22(5-4-6-27(18)38-28(39)15-16-37(32(38)41)21-10-8-20(34)9-11-21)23-13-14-25(31(35)40)30-29(23)24-12-7-19(33(2,3)42)17-26(24)36-30/h4-17,36,42H,1-3H3,(H2,35,40)
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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))
BDBM264143
PNG
(4-(3-(5-Fluoro-1,3-dioxo-1H-pyrido[1,2-c]pyrimidin...)
Show SMILES Cc1c(cccc1-n1c(=O)cc2c(F)cccn2c1=O)-c1ccc(C(N)=O)c2[nH]c3cc(CCO)ccc3c12
Show InChI InChI=1S/C30H23FN4O4/c1-16-18(4-2-6-24(16)35-26(37)15-25-22(31)5-3-12-34(25)30(35)39)19-9-10-21(29(32)38)28-27(19)20-8-7-17(11-13-36)14-23(20)33-28/h2-10,12,14-15,33,36H,11,13H2,1H3,(H2,32,38)
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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))
BDBM50194721
PNG
(CHEMBL3908310 | US9714234, 4)
Show SMILES Cc1c(cccc1-n1c(=O)n(C)c2c(F)cccc2c1=O)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O
Show InChI InChI=1S/C32H27FN4O4/c1-16-18(7-6-10-25(16)37-30(39)22-8-5-9-23(33)28(22)36(4)31(37)40)19-13-14-21(29(34)38)27-26(19)20-12-11-17(32(2,3)41)15-24(20)35-27/h5-15,35,41H,1-4H3,(H2,34,38)
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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))
BDBM264157
PNG
(US9714234, 32)
Show SMILES COCc1ccc2c(c1)[nH]c1c(ccc(-c3cccc(c3C)-n3c(=O)cc4c(F)cccn4c3=O)c21)C(N)=O
Show InChI InChI=1S/C30H23FN4O4/c1-16-18(5-3-7-24(16)35-26(36)14-25-22(31)6-4-12-34(25)30(35)38)19-10-11-21(29(32)37)28-27(19)20-9-8-17(15-39-2)13-23(20)33-28/h3-14,33H,15H2,1-2H3,(H2,32,37)
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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))
BDBM264127
PNG
(8-Fluoro-1-methyl-3-(2-methyl-3-(4,4,5,5-tetrameth...)
Show SMILES Cc1c(cccc1-n1c(=O)n(C)c2c(F)cccc2c1=O)B1OC(C)(C)C(C)(C)O1
Show InChI InChI=1S/C22H24BFN2O4/c1-13-15(23-29-21(2,3)22(4,5)30-23)10-8-12-17(13)26-19(27)14-9-7-11-16(24)18(14)25(6)20(26)28/h7-12H,1-6H3
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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))
BDBM230144
PNG
(US9334290, Comparative Example 75 | US9714234, Com...)
Show SMILES Cc1c(cccc1-n1cnc2ccccc2c1=O)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O
Show InChI InChI=1S/C31H26N4O3/c1-17-19(8-6-10-26(17)35-16-33-24-9-5-4-7-22(24)30(35)37)20-13-14-23(29(32)36)28-27(20)21-12-11-18(31(2,3)38)15-25(21)34-28/h4-16,34,38H,1-3H3,(H2,32,36)
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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))
BDBM50194721
PNG
(CHEMBL3908310 | US9714234, 4)
Show SMILES Cc1c(cccc1-n1c(=O)n(C)c2c(F)cccc2c1=O)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O
Show InChI InChI=1S/C32H27FN4O4/c1-16-18(7-6-10-25(16)37-30(39)22-8-5-9-23(33)28(22)36(4)31(37)40)19-13-14-21(29(34)38)27-26(19)20-12-11-17(32(2,3)41)15-24(20)35-27/h5-15,35,41H,1-4H3,(H2,34,38)
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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))
BDBM264131
PNG
(3-(3-Bromo-2-methylphenyl)-8-methoxy-1-methylquina...)
Show SMILES COc1cccc2c1n(C)c(=O)n(-c1cccc(Br)c1C)c2=O
Show InChI InChI=1S/C17H15BrN2O3/c1-10-12(18)7-5-8-13(10)20-16(21)11-6-4-9-14(23-3)15(11)19(2)17(20)22/h4-9H,1-3H3
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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))
BDBM264133
PNG
((Z)-4-((3-Bromo-2-chlorophenyl)imino)-1-methyl-1H-...)
Show SMILES Cn1c2ccccc2\c(=N\c2cccc(Br)c2Cl)oc1=O
Show InChI InChI=1S/C15H10BrClN2O2/c1-19-12-8-3-2-5-9(12)14(21-15(19)20)18-11-7-4-6-10(16)13(11)17/h2-8H,1H3/b18-14-
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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))
BDBM230145
PNG
(US9334290, Comparative Example 76 | US9714234, Com...)
Show SMILES Cc1nc(C(N)=O)c2[nH]c3cc(ccc3c2c1-c1cccc(c1C)-n1cnc2ccccc2c1=O)C(C)(C)O
Show InChI InChI=1S/C31H27N5O3/c1-16-19(9-7-11-24(16)36-15-33-22-10-6-5-8-21(22)30(36)38)25-17(2)34-28(29(32)37)27-26(25)20-13-12-18(31(3,4)39)14-23(20)35-27/h5-15,35,39H,1-4H3,(H2,32,37)
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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
JAK2/JAK1


(Homo sapiens (Human))
BDBM264156
PNG
(US9714234, 31)
Show SMILES Cc1c(cccc1-n1c(=O)cc2c(Cl)cccn2c1=O)-c1ccc(C(N)=O)c2[nH]c3cc(CN4CCCC4)ccc3c12
Show InChI InChI=1S/C33H28ClN5O3/c1-19-21(6-4-8-27(19)39-29(40)17-28-25(34)7-5-15-38(28)33(39)42)22-11-12-24(32(35)41)31-30(22)23-10-9-20(16-26(23)36-31)18-37-13-2-3-14-37/h4-12,15-17,36H,2-3,13-14,18H2,1H3,(H2,35,41)
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Bristol-Myers Squibb Company

US Patent


Assay Description
Compounds with activity against Jak2 tyrosine kinase have been observed to cause thrombocytopenia, anemia and neutropenia in human patients in clinic...


Citation and Details
More data for this
Ligand-Target Pair
JAK2/JAK1


(Homo sapiens (Human))
BDBM230145
PNG
(US9334290, Comparative Example 76 | US9714234, Com...)
Show SMILES Cc1nc(C(N)=O)c2[nH]c3cc(ccc3c2c1-c1cccc(c1C)-n1cnc2ccccc2c1=O)C(C)(C)O
Show InChI InChI=1S/C31H27N5O3/c1-16-19(9-7-11-24(16)36-15-33-22-10-6-5-8-21(22)30(36)38)25-17(2)34-28(29(32)37)27-26(25)20-13-12-18(31(3,4)39)14-23(20)35-27/h5-15,35,39H,1-4H3,(H2,32,37)
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Bristol-Myers Squibb Company

US Patent


Assay Description
Compounds with activity against Jak2 tyrosine kinase have been observed to cause thrombocytopenia, anemia and neutropenia in human patients in clinic...


Citation and Details
More data for this
Ligand-Target Pair
JAK2/JAK1


(Homo sapiens (Human))
BDBM264158
PNG
(US9714234, 33)
Show SMILES Cc1c(cccc1-n1c(=O)n(C)c2c(F)cccc2c1=O)-c1ccc(C(N)=O)c2[nH]c3c(F)c(ccc3c12)C(C)(C)O
Show InChI InChI=1S/C32H26F2N4O4/c1-15-16(7-6-10-23(15)38-30(40)20-8-5-9-22(33)28(20)37(4)31(38)41)17-11-12-19(29(35)39)26-24(17)18-13-14-21(32(2,3)42)25(34)27(18)36-26/h5-14,36,42H,1-4H3,(H2,35,39)
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Bristol-Myers Squibb Company

US Patent


Assay Description
Compounds with activity against Jak2 tyrosine kinase have been observed to cause thrombocytopenia, anemia and neutropenia in human patients in clinic...


Citation and Details
More data for this
Ligand-Target Pair
JAK2/JAK1


(Homo sapiens (Human))
BDBM230144
PNG
(US9334290, Comparative Example 75 | US9714234, Com...)
Show SMILES Cc1c(cccc1-n1cnc2ccccc2c1=O)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O
Show InChI InChI=1S/C31H26N4O3/c1-17-19(8-6-10-26(17)35-16-33-24-9-5-4-7-22(24)30(35)37)20-13-14-23(29(32)36)28-27(20)21-12-11-18(31(2,3)38)15-25(21)34-28/h4-16,34,38H,1-3H3,(H2,32,36)
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n/an/a 240n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Compounds with activity against Jak2 tyrosine kinase have been observed to cause thrombocytopenia, anemia and neutropenia in human patients in clinic...


Citation and Details
More data for this
Ligand-Target Pair
JAK2/JAK1


(Homo sapiens (Human))
BDBM264155
PNG
(US9714234, 30)
Show SMILES CC(=O)NCc1ccc2c(c1)[nH]c1c(ccc(-c3cccc(c3C)-n3c(=O)cc4c(F)cccn4c3=O)c21)C(N)=O
Show InChI InChI=1S/C31H24FN5O4/c1-16-19(5-3-7-25(16)37-27(39)14-26-23(32)6-4-12-36(26)31(37)41)20-10-11-22(30(33)40)29-28(20)21-9-8-18(13-24(21)35-29)15-34-17(2)38/h3-14,35H,15H2,1-2H3,(H2,33,40)(H,34,38)
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n/an/a 430n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Compounds with activity against Jak2 tyrosine kinase have been observed to cause thrombocytopenia, anemia and neutropenia in human patients in clinic...


Citation and Details
More data for this
Ligand-Target Pair
JAK2/JAK1


(Homo sapiens (Human))
BDBM264154
PNG
(US9714234, 29)
Show SMILES CN(C)c1ccc2c(c1)[nH]c1c(ccc(-c3cccc(c3C)-n3c(=O)cc4c(F)cccn4c3=O)c21)C(N)=O
Show InChI InChI=1S/C30H24FN5O3/c1-16-18(6-4-8-24(16)36-26(37)15-25-22(31)7-5-13-35(25)30(36)39)19-11-12-21(29(32)38)28-27(19)20-10-9-17(34(2)3)14-23(20)33-28/h4-15,33H,1-3H3,(H2,32,38)
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n/an/a 470n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Compounds with activity against Jak2 tyrosine kinase have been observed to cause thrombocytopenia, anemia and neutropenia in human patients in clinic...


Citation and Details
More data for this
Ligand-Target Pair
JAK2/JAK1


(Homo sapiens (Human))
BDBM264145
PNG
(4-(3-(5,7-Dioxo-5H-thiazolo[3,2-c]pyrimidin-6(7H)-...)
Show SMILES Cc1c(cccc1-n1c(=O)cc2sccn2c1=O)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O
Show InChI InChI=1S/C29H24N4O4S/c1-15-17(5-4-6-22(15)33-23(34)14-24-32(28(33)36)11-12-38-24)18-9-10-20(27(30)35)26-25(18)19-8-7-16(29(2,3)37)13-21(19)31-26/h4-14,31,37H,1-3H3,(H2,30,35)
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n/an/a 570n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Compounds with activity against Jak2 tyrosine kinase have been observed to cause thrombocytopenia, anemia and neutropenia in human patients in clinic...


Citation and Details
More data for this
Ligand-Target Pair
JAK2/JAK1


(Homo sapiens (Human))
BDBM264143
PNG
(4-(3-(5-Fluoro-1,3-dioxo-1H-pyrido[1,2-c]pyrimidin...)
Show SMILES Cc1c(cccc1-n1c(=O)cc2c(F)cccn2c1=O)-c1ccc(C(N)=O)c2[nH]c3cc(CCO)ccc3c12
Show InChI InChI=1S/C30H23FN4O4/c1-16-18(4-2-6-24(16)35-26(37)15-25-22(31)5-3-12-34(25)30(35)39)19-9-10-21(29(32)38)28-27(19)20-8-7-17(11-13-36)14-23(20)33-28/h2-10,12,14-15,33,36H,11,13H2,1H3,(H2,32,38)
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Bristol-Myers Squibb Company

US Patent


Assay Description
Compounds with activity against Jak2 tyrosine kinase have been observed to cause thrombocytopenia, anemia and neutropenia in human patients in clinic...


Citation and Details
More data for this
Ligand-Target Pair
JAK2/JAK1


(Homo sapiens (Human))
BDBM264157
PNG
(US9714234, 32)
Show SMILES COCc1ccc2c(c1)[nH]c1c(ccc(-c3cccc(c3C)-n3c(=O)cc4c(F)cccn4c3=O)c21)C(N)=O
Show InChI InChI=1S/C30H23FN4O4/c1-16-18(5-3-7-24(16)35-26(36)14-25-22(31)6-4-12-34(25)30(35)38)19-10-11-21(29(32)37)28-27(19)20-9-8-17(15-39-2)13-23(20)33-28/h3-14,33H,15H2,1-2H3,(H2,32,37)
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Bristol-Myers Squibb Company

US Patent


Assay Description
Compounds with activity against Jak2 tyrosine kinase have been observed to cause thrombocytopenia, anemia and neutropenia in human patients in clinic...


Citation and Details
More data for this
Ligand-Target Pair
JAK2/JAK1


(Homo sapiens (Human))
BDBM264153
PNG
(US9714234, 28)
Show SMILES Cc1c(cccc1-n1c(=O)cc2c(F)cccn2c1=O)-c1ccc(C(N)=O)c2[nH]c3cc(CO)ccc3c12
Show InChI InChI=1S/C29H21FN4O4/c1-15-17(4-2-6-23(15)34-25(36)13-24-21(30)5-3-11-33(24)29(34)38)18-9-10-20(28(31)37)27-26(18)19-8-7-16(14-35)12-22(19)32-27/h2-13,32,35H,14H2,1H3,(H2,31,37)
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n/an/a 800n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Compounds with activity against Jak2 tyrosine kinase have been observed to cause thrombocytopenia, anemia and neutropenia in human patients in clinic...


Citation and Details
More data for this
Ligand-Target Pair
JAK2/JAK1


(Homo sapiens (Human))
BDBM264127
PNG
(8-Fluoro-1-methyl-3-(2-methyl-3-(4,4,5,5-tetrameth...)
Show SMILES Cc1c(cccc1-n1c(=O)n(C)c2c(F)cccc2c1=O)B1OC(C)(C)C(C)(C)O1
Show InChI InChI=1S/C22H24BFN2O4/c1-13-15(23-29-21(2,3)22(4,5)30-23)10-8-12-17(13)26-19(27)14-9-7-11-16(24)18(14)25(6)20(26)28/h7-12H,1-6H3
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n/an/a 850n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Compounds with activity against Jak2 tyrosine kinase have been observed to cause thrombocytopenia, anemia and neutropenia in human patients in clinic...


Citation and Details
More data for this
Ligand-Target Pair
JAK2/JAK1


(Homo sapiens (Human))
BDBM264146
PNG
(4-(3-(5-Fluoro-1,3-dioxo-1H-pyrido[1,2-c]pyrimidin...)
Show SMILES Cc1c(cccc1-n1c(=O)cc2c(F)cccn2c1=O)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O
Show InChI InChI=1S/C31H25FN4O4/c1-16-18(6-4-8-24(16)36-26(37)15-25-22(32)7-5-13-35(25)30(36)39)19-11-12-21(29(33)38)28-27(19)20-10-9-17(31(2,3)40)14-23(20)34-28/h4-15,34,40H,1-3H3,(H2,33,38)
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Bristol-Myers Squibb Company

US Patent


Assay Description
Compounds with activity against Jak2 tyrosine kinase have been observed to cause thrombocytopenia, anemia and neutropenia in human patients in clinic...


Citation and Details
More data for this
Ligand-Target Pair
JAK2/JAK1


(Homo sapiens (Human))
BDBM264146
PNG
(4-(3-(5-Fluoro-1,3-dioxo-1H-pyrido[1,2-c]pyrimidin...)
Show SMILES Cc1c(cccc1-n1c(=O)cc2c(F)cccn2c1=O)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O
Show InChI InChI=1S/C31H25FN4O4/c1-16-18(6-4-8-24(16)36-26(37)15-25-22(32)7-5-13-35(25)30(36)39)19-11-12-21(29(33)38)28-27(19)20-10-9-17(31(2,3)40)14-23(20)34-28/h4-15,34,40H,1-3H3,(H2,33,38)
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Bristol-Myers Squibb Company

US Patent


Assay Description
Compounds with activity against Jak2 tyrosine kinase have been observed to cause thrombocytopenia, anemia and neutropenia in human patients in clinic...


Citation and Details
More data for this
Ligand-Target Pair
JAK2/JAK1


(Homo sapiens (Human))
BDBM264137
PNG
(7-(2-Hydroxypropan-2-yl)-4-(3-(5-methoxy-1,3-dioxo...)
Show SMILES COc1cccn2c1cc(=O)n(-c1cccc(c1C)-c1ccc(C(N)=O)c3[nH]c4cc(ccc4c13)C(C)(C)O)c2=O
Show InChI InChI=1S/C32H28N4O5/c1-17-19(7-5-8-24(17)36-27(37)16-25-26(41-4)9-6-14-35(25)31(36)39)20-12-13-22(30(33)38)29-28(20)21-11-10-18(32(2,3)40)15-23(21)34-29/h5-16,34,40H,1-4H3,(H2,33,38)
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Bristol-Myers Squibb Company

US Patent


Assay Description
Compounds with activity against Jak2 tyrosine kinase have been observed to cause thrombocytopenia, anemia and neutropenia in human patients in clinic...


Citation and Details
More data for this
Ligand-Target Pair
JAK2/JAK1


(Homo sapiens (Human))
BDBM264136
PNG
(2-(3-Bromo-2-methylphenyl)-6-methoxy-1H-pyrido[1,2...)
Show SMILES COc1ccn2c(c1)cc(=O)n(-c1cccc(Br)c1C)c2=O
Show InChI InChI=1S/C16H13BrN2O3/c1-10-13(17)4-3-5-14(10)19-15(20)9-11-8-12(22-2)6-7-18(11)16(19)21/h3-9H,1-2H3
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Bristol-Myers Squibb Company

US Patent


Assay Description
Compounds with activity against Jak2 tyrosine kinase have been observed to cause thrombocytopenia, anemia and neutropenia in human patients in clinic...


Citation and Details
More data for this
Ligand-Target Pair
JAK2/JAK1


(Homo sapiens (Human))
BDBM264140
PNG
(4-(3-(S)-(5-Chloro-1,3-dioxo-1H-pyrido[1,2-c]pyrim...)
Show SMILES Cc1c(cccc1-n1c(=O)cc2c(Cl)cccn2c1=O)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O
Show InChI InChI=1S/C31H25ClN4O4/c1-16-18(6-4-8-24(16)36-26(37)15-25-22(32)7-5-13-35(25)30(36)39)19-11-12-21(29(33)38)28-27(19)20-10-9-17(31(2,3)40)14-23(20)34-28/h4-15,34,40H,1-3H3,(H2,33,38)
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Bristol-Myers Squibb Company

US Patent


Assay Description
Compounds with activity against Jak2 tyrosine kinase have been observed to cause thrombocytopenia, anemia and neutropenia in human patients in clinic...


Citation and Details
More data for this
Ligand-Target Pair
JAK2/JAK1


(Homo sapiens (Human))
BDBM264134
PNG
(4-(3-(3-(4-Fluorophenyl)-2,6-dioxo-2,3-dihydropyri...)
Show SMILES Cc1c(cccc1-n1c(=O)ccn(-c2ccc(F)cc2)c1=O)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O
Show InChI InChI=1S/C33H27FN4O4/c1-18-22(5-4-6-27(18)38-28(39)15-16-37(32(38)41)21-10-8-20(34)9-11-21)23-13-14-25(31(35)40)30-29(23)24-12-7-19(33(2,3)42)17-26(24)36-30/h4-17,36,42H,1-3H3,(H2,35,40)
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Bristol-Myers Squibb Company

US Patent


Assay Description
Compounds with activity against Jak2 tyrosine kinase have been observed to cause thrombocytopenia, anemia and neutropenia in human patients in clinic...


Citation and Details
More data for this
Ligand-Target Pair
JAK2/JAK1


(Homo sapiens (Human))
BDBM264148
PNG
(4-Bromo-7-(2-hydroxypropan-2-yl)-8-methyl-9H-carba...)
Show SMILES Cc1cc(c(C)c2[nH]c3c(ccc(Br)c3c12)C(N)=O)C(C)(C)O
Show InChI InChI=1S/C18H19BrN2O2/c1-8-7-11(18(3,4)23)9(2)15-13(8)14-12(19)6-5-10(17(20)22)16(14)21-15/h5-7,21,23H,1-4H3,(H2,20,22)
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Bristol-Myers Squibb Company

US Patent


Assay Description
Compounds with activity against Jak2 tyrosine kinase have been observed to cause thrombocytopenia, anemia and neutropenia in human patients in clinic...


Citation and Details
More data for this
Ligand-Target Pair
JAK2/JAK1


(Homo sapiens (Human))
BDBM264139
PNG
(4-(3-(R)-(5-Chloro-1,3-dioxo-1H-pyrido[1,2-c]pyrim...)
Show SMILES Cc1c(cccc1-n1c(=O)cc2c(Cl)cccn2c1=O)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O
Show InChI InChI=1S/C31H25ClN4O4/c1-16-18(6-4-8-24(16)36-26(37)15-25-22(32)7-5-13-35(25)30(36)39)19-11-12-21(29(33)38)28-27(19)20-10-9-17(31(2,3)40)14-23(20)34-28/h4-15,34,40H,1-3H3,(H2,33,38)
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Bristol-Myers Squibb Company

US Patent


Assay Description
Compounds with activity against Jak2 tyrosine kinase have been observed to cause thrombocytopenia, anemia and neutropenia in human patients in clinic...


Citation and Details
More data for this
Ligand-Target Pair
JAK2/JAK1


(Homo sapiens (Human))
BDBM264135
PNG
(2-(3-Bromo-2-methylphenyl)-5-methoxy-1H-pyrido[1,2...)
Show SMILES COc1cccn2c1cc(=O)n(-c1cccc(Br)c1C)c2=O
Show InChI InChI=1S/C16H13BrN2O3/c1-10-11(17)5-3-6-12(10)19-15(20)9-13-14(22-2)7-4-8-18(13)16(19)21/h3-9H,1-2H3
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Bristol-Myers Squibb Company

US Patent


Assay Description
Compounds with activity against Jak2 tyrosine kinase have been observed to cause thrombocytopenia, anemia and neutropenia in human patients in clinic...


Citation and Details
More data for this
Ligand-Target Pair
JAK2/JAK1


(Homo sapiens (Human))
BDBM50194721
PNG
(CHEMBL3908310 | US9714234, 4)
Show SMILES Cc1c(cccc1-n1c(=O)n(C)c2c(F)cccc2c1=O)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O
Show InChI InChI=1S/C32H27FN4O4/c1-16-18(7-6-10-25(16)37-30(39)22-8-5-9-23(33)28(22)36(4)31(37)40)19-13-14-21(29(34)38)27-26(19)20-12-11-17(32(2,3)41)15-24(20)35-27/h5-15,35,41H,1-4H3,(H2,34,38)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Compounds with activity against Jak2 tyrosine kinase have been observed to cause thrombocytopenia, anemia and neutropenia in human patients in clinic...


Citation and Details
More data for this
Ligand-Target Pair
JAK2/JAK1


(Homo sapiens (Human))
BDBM264126
PNG
(4-(3-(8-Fluoro-2,4-dioxo-1,2-dihydroquinazolin-3(4...)
Show SMILES Cc1c(cccc1-n1c(=O)[nH]c2c(F)cccc2c1=O)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O
Show InChI InChI=1S/C31H25FN4O4/c1-15-17(6-5-9-24(15)36-29(38)21-7-4-8-22(32)26(21)35-30(36)39)18-12-13-20(28(33)37)27-25(18)19-11-10-16(31(2,3)40)14-23(19)34-27/h4-14,34,40H,1-3H3,(H2,33,37)(H,35,39)
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Bristol-Myers Squibb Company

US Patent


Assay Description
Compounds with activity against Jak2 tyrosine kinase have been observed to cause thrombocytopenia, anemia and neutropenia in human patients in clinic...


Citation and Details
More data for this
Ligand-Target Pair
JAK2/JAK1


(Homo sapiens (Human))
BDBM264130
PNG
(3-(3-Bromo-2-methylphenyl)-8-fluoro-1-methyl(d3)qu...)
Show SMILES Cc1c(Br)cccc1-n1c(=O)n(C)c2c(F)cccc2c1=O
Show InChI InChI=1S/C16H12BrFN2O2/c1-9-11(17)6-4-8-13(9)20-15(21)10-5-3-7-12(18)14(10)19(2)16(20)22/h3-8H,1-2H3
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Bristol-Myers Squibb Company

US Patent


Assay Description
Compounds with activity against Jak2 tyrosine kinase have been observed to cause thrombocytopenia, anemia and neutropenia in human patients in clinic...


Citation and Details
More data for this
Ligand-Target Pair
JAK2/JAK1


(Homo sapiens (Human))
BDBM264138
PNG
(5-Chloro-2-(2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-...)
Show SMILES Cc1c(cccc1-n1c(=O)cc2c(Cl)cccn2c1=O)B1OC(C)(C)C(C)(C)O1
Show InChI InChI=1S/C21H22BClN2O4/c1-13-14(22-28-20(2,3)21(4,5)29-22)8-6-10-16(13)25-18(26)12-17-15(23)9-7-11-24(17)19(25)27/h6-12H,1-5H3
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n/an/a 1.30E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Compounds with activity against Jak2 tyrosine kinase have been observed to cause thrombocytopenia, anemia and neutropenia in human patients in clinic...


Citation and Details
More data for this
Ligand-Target Pair
JAK2/JAK1


(Homo sapiens (Human))
BDBM264132
PNG
(7-(2-Hydroxypropan-2-yl)-4-(3-(8-methoxy-1-methyl-...)
Show SMILES COc1cccc2c1n(C)c(=O)n(-c1cccc(c1C)-c1ccc(C(N)=O)c3[nH]c4cc(ccc4c13)C(C)(C)O)c2=O
Show InChI InChI=1S/C33H30N4O5/c1-17-19(8-6-10-25(17)37-31(39)23-9-7-11-26(42-5)29(23)36(4)32(37)40)20-14-15-22(30(34)38)28-27(20)21-13-12-18(33(2,3)41)16-24(21)35-28/h6-16,35,41H,1-5H3,(H2,34,38)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Compounds with activity against Jak2 tyrosine kinase have been observed to cause thrombocytopenia, anemia and neutropenia in human patients in clinic...


Citation and Details
More data for this
Ligand-Target Pair
JAK2/JAK1


(Homo sapiens (Human))
BDBM264131
PNG
(3-(3-Bromo-2-methylphenyl)-8-methoxy-1-methylquina...)
Show SMILES COc1cccc2c1n(C)c(=O)n(-c1cccc(Br)c1C)c2=O
Show InChI InChI=1S/C17H15BrN2O3/c1-10-12(18)7-5-8-13(10)20-16(21)11-6-4-9-14(23-3)15(11)19(2)17(20)22/h4-9H,1-3H3
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n/an/a 1.80E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Compounds with activity against Jak2 tyrosine kinase have been observed to cause thrombocytopenia, anemia and neutropenia in human patients in clinic...


Citation and Details
More data for this
Ligand-Target Pair
JAK2/JAK1


(Homo sapiens (Human))
BDBM264144
PNG
(5-Fluoro-2-(2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-...)
Show SMILES Cc1c(cccc1-n1c(=O)cc2c(F)cccn2c1=O)B1OC(C)(C)C(C)(C)O1
Show InChI InChI=1S/C21H22BFN2O4/c1-13-14(22-28-20(2,3)21(4,5)29-22)8-6-10-16(13)25-18(26)12-17-15(23)9-7-11-24(17)19(25)27/h6-12H,1-5H3
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n/an/a 1.90E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Compounds with activity against Jak2 tyrosine kinase have been observed to cause thrombocytopenia, anemia and neutropenia in human patients in clinic...


Citation and Details
More data for this
Ligand-Target Pair
JAK2/JAK1


(Homo sapiens (Human))
BDBM264142
PNG
(4-(3-(5-Chloro-1,3-dioxo-1H-pyrido[1,2-c]pyrimidin...)
Show SMILES Cc1c(cccc1-n1c(=O)cc2c(Cl)cccn2c1=O)-c1ccc(C(N)=O)c2[nH]c3cc(CCO)ccc3c12
Show InChI InChI=1S/C30H23ClN4O4/c1-16-18(4-2-6-24(16)35-26(37)15-25-22(31)5-3-12-34(25)30(35)39)19-9-10-21(29(32)38)28-27(19)20-8-7-17(11-13-36)14-23(20)33-28/h2-10,12,14-15,33,36H,11,13H2,1H3,(H2,32,38)
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n/an/a 1.90E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Compounds with activity against Jak2 tyrosine kinase have been observed to cause thrombocytopenia, anemia and neutropenia in human patients in clinic...


Citation and Details
More data for this
Ligand-Target Pair
JAK2/JAK1


(Homo sapiens (Human))
BDBM264149
PNG
(8-Fluoro-1-methyl(d3)-3-(S)-(2-methyl-3-(4,4,5,5-t...)
Show SMILES Cc1c(cccc1-n1c(=O)n(C)c2c(F)cccc2c1=O)B1OC(C)(C)C(C)(C)O1
Show InChI InChI=1S/C22H24BFN2O4/c1-13-15(23-29-21(2,3)22(4,5)30-23)10-8-12-17(13)26-19(27)14-9-7-11-16(24)18(14)25(6)20(26)28/h7-12H,1-6H3
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n/an/a>2.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Compounds with activity against Jak2 tyrosine kinase have been observed to cause thrombocytopenia, anemia and neutropenia in human patients in clinic...


Citation and Details
More data for this
Ligand-Target Pair
JAK2/JAK1


(Homo sapiens (Human))
BDBM264152
PNG
(4-(3-(S)-(8-Fluoro-1-methyl(d3)-2,4-dioxo-1,2-dihy...)
Show SMILES Cc1cc(cc2[nH]c3c(ccc(-c4cccc(c4C)-n4c(=O)n(C)c5c(F)cccc5c4=O)c3c12)C(N)=O)C(C)(C)O
Show InChI InChI=1S/C33H29FN4O4/c1-16-14-18(33(3,4)42)15-24-26(16)27-20(12-13-21(30(35)39)28(27)36-24)19-8-7-11-25(17(19)2)38-31(40)22-9-6-10-23(34)29(22)37(5)32(38)41/h6-15,36,42H,1-5H3,(H2,35,39)
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n/an/a>2.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Compounds with activity against Jak2 tyrosine kinase have been observed to cause thrombocytopenia, anemia and neutropenia in human patients in clinic...


Citation and Details
More data for this
Ligand-Target Pair
JAK2/JAK1


(Homo sapiens (Human))
BDBM264151
PNG
(4-(3-(S)-(8-Fluoro-1-methyl-2,4-dioxo-1,2-dihydroq...)
Show SMILES Cc1c(cccc1-n1c(=O)n(C)c2c(F)cccc2c1=O)-c1ccc(C(N)=O)c2[nH]c3c(C)c(ccc3c12)C(C)(C)O
Show InChI InChI=1S/C33H29FN4O4/c1-16-18(8-7-11-25(16)38-31(40)22-9-6-10-24(34)29(22)37(5)32(38)41)19-12-13-21(30(35)39)28-26(19)20-14-15-23(33(3,4)42)17(2)27(20)36-28/h6-15,36,42H,1-5H3,(H2,35,39)
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n/an/a>2.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Compounds with activity against Jak2 tyrosine kinase have been observed to cause thrombocytopenia, anemia and neutropenia in human patients in clinic...


Citation and Details
More data for this
Ligand-Target Pair
JAK2/JAK1


(Homo sapiens (Human))
BDBM50194721
PNG
(CHEMBL3908310 | US9714234, 4)
Show SMILES Cc1c(cccc1-n1c(=O)n(C)c2c(F)cccc2c1=O)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O
Show InChI InChI=1S/C32H27FN4O4/c1-16-18(7-6-10-25(16)37-30(39)22-8-5-9-23(33)28(22)36(4)31(37)40)19-13-14-21(29(34)38)27-26(19)20-12-11-17(32(2,3)41)15-24(20)35-27/h5-15,35,41H,1-4H3,(H2,34,38)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Compounds with activity against Jak2 tyrosine kinase have been observed to cause thrombocytopenia, anemia and neutropenia in human patients in clinic...


Citation and Details
More data for this
Ligand-Target Pair
JAK2/JAK1


(Homo sapiens (Human))
BDBM264141
PNG
(4-(3-(5-Chloro-1,3-dioxo-1H-pyrido[1,2-c]pyrimidin...)
Show SMILES Cc1c(cccc1-n1c(=O)cc2c(Cl)cccn2c1=O)-c1ccc(C(N)=O)c2[nH]c3cc(NC(=O)C(C)(C)C)ccc3c12
Show InChI InChI=1S/C33H28ClN5O4/c1-17-19(7-5-9-25(17)39-27(40)16-26-23(34)8-6-14-38(26)32(39)43)20-12-13-22(30(35)41)29-28(20)21-11-10-18(15-24(21)37-29)36-31(42)33(2,3)4/h5-16,37H,1-4H3,(H2,35,41)(H,36,42)
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n/an/a 2.20E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Compounds with activity against Jak2 tyrosine kinase have been observed to cause thrombocytopenia, anemia and neutropenia in human patients in clinic...


Citation and Details
More data for this
Ligand-Target Pair
JAK2/JAK1


(Homo sapiens (Human))
BDBM264133
PNG
((Z)-4-((3-Bromo-2-chlorophenyl)imino)-1-methyl-1H-...)
Show SMILES Cn1c2ccccc2\c(=N\c2cccc(Br)c2Cl)oc1=O
Show InChI InChI=1S/C15H10BrClN2O2/c1-19-12-8-3-2-5-9(12)14(21-15(19)20)18-11-7-4-6-10(16)13(11)17/h2-8H,1H3/b18-14-
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n/an/a 2.20E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Compounds with activity against Jak2 tyrosine kinase have been observed to cause thrombocytopenia, anemia and neutropenia in human patients in clinic...


Citation and Details
More data for this
Ligand-Target Pair
JAK2/JAK1


(Homo sapiens (Human))
BDBM264150
PNG
(4-(3-(S)-(8-Fluoro-1-methyl-2,4-dioxo-1,2-dihydroq...)
Show SMILES Cc1cc(cc2[nH]c3c(ccc(-c4cccc(c4C)-n4c(=O)n(C)c5c(F)cccc5c4=O)c3c12)C(N)=O)C(C)(C)O
Show InChI InChI=1S/C33H29FN4O4/c1-16-14-18(33(3,4)42)15-24-26(16)27-20(12-13-21(30(35)39)28(27)36-24)19-8-7-11-25(17(19)2)38-31(40)22-9-6-10-23(34)29(22)37(5)32(38)41/h6-15,36,42H,1-5H3,(H2,35,39)
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n/an/a 4.60E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Compounds with activity against Jak2 tyrosine kinase have been observed to cause thrombocytopenia, anemia and neutropenia in human patients in clinic...


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