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Patent code US9637487

Compile Data Set for Download or QSAR
Found 34 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))
BDBM326225
PNG
((E)-4-(6-amino-9-(3-(4-(dimethylamino)-N-methylbut...)
Show SMILES CN(C)C\C=C\C(=O)N(C)c1cccc(c1)-n1c2ncnc(N)c2n(-c2ccc(cc2)C(=O)Nc2ccc(F)cn2)c1=O
Show InChI InChI=1S/C30H28FN9O3/c1-37(2)15-5-8-25(41)38(3)22-6-4-7-23(16-22)40-28-26(27(32)34-18-35-28)39(30(40)43)21-12-9-19(10-13-21)29(42)36-24-14-11-20(31)17-33-24/h4-14,16-18H,15H2,1-3H3,(H2,32,34,35)(H,33,36,42)/b8-5+
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n/an/a<100n/an/an/an/an/an/a



PHARMACYCLICS LLC

US Patent


Assay Description
Human Btk kinase (Genbank accession # NP_000052) was purified from insect cells as a full-length construct containing a N-terminal 6-His tag. Btk ki...


US Patent US9637487 (2017)

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


(Homo sapiens (human))
BDBM326250
PNG
((E)-N-(3-(6-amino-8-oxo-7-(5-phenoxypyrimidin-2-yl...)
Show SMILES CN(C\C=C\C(=O)N(C)c1cccc(c1)-n1c2ncnc(N)c2n(-c2ncc(Oc3ccccc3)cn2)c1=O)C1CC1
Show InChI InChI=1S/C30H29N9O3/c1-36(20-13-14-20)15-7-12-25(40)37(2)21-8-6-9-22(16-21)38-28-26(27(31)34-19-35-28)39(30(38)41)29-32-17-24(18-33-29)42-23-10-4-3-5-11-23/h3-12,16-20H,13-15H2,1-2H3,(H2,31,34,35)/b12-7+
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PHARMACYCLICS LLC

US Patent


Assay Description
Human Btk kinase (Genbank accession # NP_000052) was purified from insect cells as a full-length construct containing a N-terminal 6-His tag. Btk ki...


US Patent US9637487 (2017)

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


(Homo sapiens (human))
BDBM326222
PNG
((E)-4-(6-amino-9-(3-(4-(dimethylamino)-N-methylbut...)
Show SMILES CN(C)C\C=C\C(=O)N(C)c1cccc(c1)-n1c2ncnc(N)c2n(-c2ccc(cc2)C(=O)Nc2cccc(c2)C(F)(F)F)c1=O
Show InChI InChI=1S/C32H29F3N8O3/c1-40(2)16-6-11-26(44)41(3)24-9-5-10-25(18-24)43-29-27(28(36)37-19-38-29)42(31(43)46)23-14-12-20(13-15-23)30(45)39-22-8-4-7-21(17-22)32(33,34)35/h4-15,17-19H,16H2,1-3H3,(H,39,45)(H2,36,37,38)/b11-6+
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PHARMACYCLICS LLC

US Patent


Assay Description
Human Btk kinase (Genbank accession # NP_000052) was purified from insect cells as a full-length construct containing a N-terminal 6-His tag. Btk ki...


US Patent US9637487 (2017)

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


(Homo sapiens (human))
BDBM326232
PNG
((E)-4-(6-amino-9-(3-(4-(dimethylamino)-N-methylbut...)
Show SMILES CN(C)C\C=C\C(=O)N(C)c1cccc(c1)-n1c2ncnc(N)c2n(-c2ccc(cc2)C(=O)Nc2nc(C)c(C)s2)c1=O
Show InChI InChI=1S/C30H31N9O3S/c1-18-19(2)43-29(34-18)35-28(41)20-11-13-21(14-12-20)38-25-26(31)32-17-33-27(25)39(30(38)42)23-9-6-8-22(16-23)37(5)24(40)10-7-15-36(3)4/h6-14,16-17H,15H2,1-5H3,(H2,31,32,33)(H,34,35,41)/b10-7+
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n/an/a<100n/an/an/an/an/an/a



PHARMACYCLICS LLC

US Patent


Assay Description
Human Btk kinase (Genbank accession # NP_000052) was purified from insect cells as a full-length construct containing a N-terminal 6-His tag. Btk ki...


US Patent US9637487 (2017)

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


(Homo sapiens (human))
BDBM326230
PNG
((E)-4-(6-amino-9-(3-(4-(dimethylamino)-N-methylbut...)
Show SMILES CN(C)C\C=C\C(=O)N(C)c1cccc(c1)-n1c2ncnc(N)c2n(-c2ccc(cc2)C(=O)Nc2ncc(C)s2)c1=O
Show InChI InChI=1S/C29H29N9O3S/c1-18-16-31-28(42-18)34-27(40)19-10-12-20(13-11-19)37-24-25(30)32-17-33-26(24)38(29(37)41)22-8-5-7-21(15-22)36(4)23(39)9-6-14-35(2)3/h5-13,15-17H,14H2,1-4H3,(H2,30,32,33)(H,31,34,40)/b9-6+
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PHARMACYCLICS LLC

US Patent


Assay Description
Human Btk kinase (Genbank accession # NP_000052) was purified from insect cells as a full-length construct containing a N-terminal 6-His tag. Btk ki...


US Patent US9637487 (2017)

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


(Homo sapiens (human))
BDBM326228
PNG
((E)-4-(6-amino-9-(3-(4-(dimethylamino)-N-methylbut...)
Show SMILES CN(C)C\C=C\C(=O)N(C)c1cccc(c1)-n1c2ncnc(N)c2n(-c2ccc(cc2)C(=O)Nc2ccc(Cl)cn2)c1=O
Show InChI InChI=1S/C30H28ClN9O3/c1-37(2)15-5-8-25(41)38(3)22-6-4-7-23(16-22)40-28-26(27(32)34-18-35-28)39(30(40)43)21-12-9-19(10-13-21)29(42)36-24-14-11-20(31)17-33-24/h4-14,16-18H,15H2,1-3H3,(H2,32,34,35)(H,33,36,42)/b8-5+
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PHARMACYCLICS LLC

US Patent


Assay Description
Human Btk kinase (Genbank accession # NP_000052) was purified from insect cells as a full-length construct containing a N-terminal 6-His tag. Btk ki...


US Patent US9637487 (2017)

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


(Homo sapiens (human))
BDBM326249
PNG
((E)-N-(3-(6-amino-8-oxo-7-(4-(pyridin-2-yloxy)phen...)
Show SMILES CN(C\C=C\C(=O)N(C)c1cccc(c1)-n1c2ncnc(N)c2n(-c2ccc(Oc3ccccn3)cn2)c1=O)C1CC1
Show InChI InChI=1S/C30H29N9O3/c1-36(20-11-12-20)16-6-10-26(40)37(2)21-7-5-8-22(17-21)38-29-27(28(31)34-19-35-29)39(30(38)41)24-14-13-23(18-33-24)42-25-9-3-4-15-32-25/h3-10,13-15,17-20H,11-12,16H2,1-2H3,(H2,31,34,35)/b10-6+
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PHARMACYCLICS LLC

US Patent


Assay Description
Human Btk kinase (Genbank accession # NP_000052) was purified from insect cells as a full-length construct containing a N-terminal 6-His tag. Btk ki...


US Patent US9637487 (2017)

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


(Homo sapiens (human))
BDBM326240
PNG
((4-(6-amino-9-(3-(N-methylacrylamido)phenyl)-8-oxo...)
Show SMILES CN(C(=O)C=C)c1cccc(c1)-n1c2ncnc(N)c2n(-c2ccc(cc2)C(=O)Nc2ccccn2)c1=O
Show InChI InChI=1S/C27H22N8O3/c1-3-22(36)33(2)19-7-6-8-20(15-19)35-25-23(24(28)30-16-31-25)34(27(35)38)18-12-10-17(11-13-18)26(37)32-21-9-4-5-14-29-21/h3-16H,1H2,2H3,(H2,28,30,31)(H,29,32,37)
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PHARMACYCLICS LLC

US Patent


Assay Description
Human Btk kinase (Genbank accession # NP_000052) was purified from insect cells as a full-length construct containing a N-terminal 6-His tag. Btk ki...


US Patent US9637487 (2017)

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


(Homo sapiens (human))
BDBM326233
PNG
((E)-4-(6-amino-9-(3-(4-(dimethylamino)-N-methylbut...)
Show SMILES CN(C)C\C=C\C(=O)N(C)c1cccc(c1)-n1c2ncnc(N)c2n(-c2ccc(cc2)C(=O)Nc2nc3CCCCc3s2)c1=O
Show InChI InChI=1S/C32H33N9O3S/c1-38(2)17-7-12-26(42)39(3)22-8-6-9-23(18-22)41-29-27(28(33)34-19-35-29)40(32(41)44)21-15-13-20(14-16-21)30(43)37-31-36-24-10-4-5-11-25(24)45-31/h6-9,12-16,18-19H,4-5,10-11,17H2,1-3H3,(H2,33,34,35)(H,36,37,43)/b12-7+
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PHARMACYCLICS LLC

US Patent


Assay Description
Human Btk kinase (Genbank accession # NP_000052) was purified from insect cells as a full-length construct containing a N-terminal 6-His tag. Btk ki...


US Patent US9637487 (2017)

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


(Homo sapiens (human))
BDBM326246
PNG
((E)-N-(3-(6-amino-8-oxo-7-(4-phenoxyphenyl)-7H-pur...)
Show SMILES CN(C(=O)\C=C\CN1CCOCC1)c1cccc(c1)-n1c2ncnc(N)c2n(-c2ccc(Oc3ccccc3)cc2)c1=O
Show InChI InChI=1S/C32H31N7O4/c1-36(28(40)11-6-16-37-17-19-42-20-18-37)24-7-5-8-25(21-24)39-31-29(30(33)34-22-35-31)38(32(39)41)23-12-14-27(15-13-23)43-26-9-3-2-4-10-26/h2-15,21-22H,16-20H2,1H3,(H2,33,34,35)/b11-6+
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PHARMACYCLICS LLC

US Patent


Assay Description
Human Btk kinase (Genbank accession # NP_000052) was purified from insect cells as a full-length construct containing a N-terminal 6-His tag. Btk ki...


US Patent US9637487 (2017)

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


(Homo sapiens (human))
BDBM326248
PNG
((E)-N-(3-(6-amino-8-oxo-7-(5-phenoxypyridin-2-yl)-...)
Show SMILES CN(C\C=C\C(=O)N(C)c1cccc(c1)-n1c2ncnc(N)c2n(-c2ccc(Oc3ccccc3)cn2)c1=O)C1CC1
Show InChI InChI=1S/C31H30N8O3/c1-36(21-13-14-21)17-7-12-27(40)37(2)22-8-6-9-23(18-22)38-30-28(29(32)34-20-35-30)39(31(38)41)26-16-15-25(19-33-26)42-24-10-4-3-5-11-24/h3-12,15-16,18-21H,13-14,17H2,1-2H3,(H2,32,34,35)/b12-7+
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PHARMACYCLICS LLC

US Patent


Assay Description
Human Btk kinase (Genbank accession # NP_000052) was purified from insect cells as a full-length construct containing a N-terminal 6-His tag. Btk ki...


US Patent US9637487 (2017)

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


(Homo sapiens (human))
BDBM326218
PNG
((E)-4-(6-amino-9-(3-(4-(dimethylamino)-N-methylbut...)
Show SMILES CN(C)C\C=C\C(=O)N(C)c1cccc(c1)-n1c2ncnc(N)c2n(-c2ccc(cc2)C(=O)Nc2cc(C)ccn2)c1=O
Show InChI InChI=1S/C31H31N9O3/c1-20-14-15-33-25(17-20)36-30(42)21-10-12-22(13-11-21)39-27-28(32)34-19-35-29(27)40(31(39)43)24-8-5-7-23(18-24)38(4)26(41)9-6-16-37(2)3/h5-15,17-19H,16H2,1-4H3,(H2,32,34,35)(H,33,36,42)/b9-6+
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PHARMACYCLICS LLC

US Patent


Assay Description
Human Btk kinase (Genbank accession # NP_000052) was purified from insect cells as a full-length construct containing a N-terminal 6-His tag. Btk ki...


US Patent US9637487 (2017)

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


(Homo sapiens (human))
BDBM326219
PNG
((E)-4-(6-amino-9-(3-(4-(dimethylamino)-N-methylbut...)
Show SMILES CCc1ccnc(NC(=O)c2ccc(cc2)-n2c3c(N)ncnc3n(-c3cccc(c3)N(C)C(=O)\C=C\CN(C)C)c2=O)c1
Show InChI InChI=1S/C32H33N9O3/c1-5-21-15-16-34-26(18-21)37-31(43)22-11-13-23(14-12-22)40-28-29(33)35-20-36-30(28)41(32(40)44)25-9-6-8-24(19-25)39(4)27(42)10-7-17-38(2)3/h6-16,18-20H,5,17H2,1-4H3,(H2,33,35,36)(H,34,37,43)/b10-7+
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PHARMACYCLICS LLC

US Patent


Assay Description
Human Btk kinase (Genbank accession # NP_000052) was purified from insect cells as a full-length construct containing a N-terminal 6-His tag. Btk ki...


US Patent US9637487 (2017)

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


(Homo sapiens (human))
BDBM326229
PNG
((E)-4-(6-amino-9-(3-(4-(dimethylamino)-N-methylbut...)
Show SMILES CN(C)C\C=C\C(=O)N(C)c1cccc(c1)-n1c2ncnc(N)c2n(-c2ccc(cc2)C(=O)Nc2nccs2)c1=O
Show InChI InChI=1S/C28H27N9O3S/c1-34(2)14-5-8-22(38)35(3)20-6-4-7-21(16-20)37-25-23(24(29)31-17-32-25)36(28(37)40)19-11-9-18(10-12-19)26(39)33-27-30-13-15-41-27/h4-13,15-17H,14H2,1-3H3,(H2,29,31,32)(H,30,33,39)/b8-5+
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US Patent


Assay Description
Human Btk kinase (Genbank accession # NP_000052) was purified from insect cells as a full-length construct containing a N-terminal 6-His tag. Btk ki...


US Patent US9637487 (2017)

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


(Homo sapiens (human))
BDBM326234
PNG
((E)-4-(6-amino-9-(3-(4-(dimethylamino)-N-methylbut...)
Show SMILES CN(C)C\C=C\C(=O)N(C)c1cccc(c1)-n1c2ncnc(N)c2n(-c2ccc(cc2)C(=O)Nc2nc3ccccc3s2)c1=O
Show InChI InChI=1S/C32H29N9O3S/c1-38(2)17-7-12-26(42)39(3)22-8-6-9-23(18-22)41-29-27(28(33)34-19-35-29)40(32(41)44)21-15-13-20(14-16-21)30(43)37-31-36-24-10-4-5-11-25(24)45-31/h4-16,18-19H,17H2,1-3H3,(H2,33,34,35)(H,36,37,43)/b12-7+
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PHARMACYCLICS LLC

US Patent


Assay Description
Human Btk kinase (Genbank accession # NP_000052) was purified from insect cells as a full-length construct containing a N-terminal 6-His tag. Btk ki...


US Patent US9637487 (2017)

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


(Homo sapiens (human))
BDBM326238
PNG
((E)-N-(3-(6-amino-7-(4-benzoylphenyl)-8-oxo-7H-pur...)
Show SMILES CN(C\C=C\C(=O)N(C)c1cccc(c1)-n1c2ncnc(N)c2n(-c2ccc(cc2)C(=O)c2ccccc2)c1=O)C1CC1
Show InChI InChI=1S/C33H31N7O3/c1-37(24-17-18-24)19-7-12-28(41)38(2)26-10-6-11-27(20-26)40-32-29(31(34)35-21-36-32)39(33(40)43)25-15-13-23(14-16-25)30(42)22-8-4-3-5-9-22/h3-16,20-21,24H,17-19H2,1-2H3,(H2,34,35,36)/b12-7+
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PHARMACYCLICS LLC

US Patent


Assay Description
Human Btk kinase (Genbank accession # NP_000052) was purified from insect cells as a full-length construct containing a N-terminal 6-His tag. Btk ki...


US Patent US9637487 (2017)

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


(Homo sapiens (human))
BDBM326247
PNG
((E)-N-(3-(6-amino-8-oxo-7-(4-phenoxyphenyl)-7H-pur...)
Show SMILES CN(C(=O)\C=C\CN1CCCC1)c1cccc(c1)-n1c2ncnc(N)c2n(-c2ccc(Oc3ccccc3)cc2)c1=O
Show InChI InChI=1S/C32H31N7O3/c1-36(28(40)13-8-20-37-18-5-6-19-37)24-9-7-10-25(21-24)39-31-29(30(33)34-22-35-31)38(32(39)41)23-14-16-27(17-15-23)42-26-11-3-2-4-12-26/h2-4,7-17,21-22H,5-6,18-20H2,1H3,(H2,33,34,35)/b13-8+
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US Patent


Assay Description
Human Btk kinase (Genbank accession # NP_000052) was purified from insect cells as a full-length construct containing a N-terminal 6-His tag. Btk ki...


US Patent US9637487 (2017)

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


(Homo sapiens (human))
BDBM326231
PNG
((E)-4-(6-amino-9-(3-(4-(dimethylamino)-N-methylbut...)
Show SMILES CN(C)C\C=C\C(=O)N(C)c1cccc(c1)-n1c2ncnc(N)c2n(-c2ccc(cc2)C(=O)Nc2nc(C)cs2)c1=O
Show InChI InChI=1S/C29H29N9O3S/c1-18-16-42-28(33-18)34-27(40)19-10-12-20(13-11-19)37-24-25(30)31-17-32-26(24)38(29(37)41)22-8-5-7-21(15-22)36(4)23(39)9-6-14-35(2)3/h5-13,15-17H,14H2,1-4H3,(H2,30,31,32)(H,33,34,40)/b9-6+
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PHARMACYCLICS LLC

US Patent


Assay Description
Human Btk kinase (Genbank accession # NP_000052) was purified from insect cells as a full-length construct containing a N-terminal 6-His tag. Btk ki...


US Patent US9637487 (2017)

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


(Homo sapiens (human))
BDBM326217
PNG
((E)-4-(6-amino-9-(3-(4-(dimethylamino)-N-methylbut...)
Show SMILES CN(C)C\C=C\C(=O)N(C)c1cccc(c1)-n1c2ncnc(N)c2n(-c2ccc(cc2)C(=O)Nc2ccccn2)c1=O
Show InChI InChI=1S/C30H29N9O3/c1-36(2)17-7-11-25(40)37(3)22-8-6-9-23(18-22)39-28-26(27(31)33-19-34-28)38(30(39)42)21-14-12-20(13-15-21)29(41)35-24-10-4-5-16-32-24/h4-16,18-19H,17H2,1-3H3,(H2,31,33,34)(H,32,35,41)/b11-7+
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PHARMACYCLICS LLC

US Patent


Assay Description
Human Btk kinase (Genbank accession # NP_000052) was purified from insect cells as a full-length construct containing a N-terminal 6-His tag. Btk ki...


US Patent US9637487 (2017)

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


(Homo sapiens (human))
BDBM326221
PNG
((E)-4-(6-amino-9-(3-(4-(dimethylamino)-N-methylbut...)
Show SMILES CN(C)C\C=C\C(=O)N(C)c1cccc(c1)-n1c2ncnc(N)c2n(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c1=O
Show InChI InChI=1S/C31H28F3N9O3/c1-40(2)15-5-8-25(44)41(3)22-6-4-7-23(17-22)43-28-26(27(35)37-18-38-28)42(30(43)46)21-11-9-19(10-12-21)29(45)39-24-16-20(13-14-36-24)31(32,33)34/h4-14,16-18H,15H2,1-3H3,(H2,35,37,38)(H,36,39,45)/b8-5+
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PHARMACYCLICS LLC

US Patent


Assay Description
Human Btk kinase (Genbank accession # NP_000052) was purified from insect cells as a full-length construct containing a N-terminal 6-His tag. Btk ki...


US Patent US9637487 (2017)

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


(Homo sapiens (human))
BDBM326241
PNG
(N-(3-(6-amino-7-(4-cyclopropoxyphenyl)-8-oxo-7H-pu...)
Show SMILES CN(C(=O)C=C)c1cccc(c1)-n1c2ncnc(N)c2n(-c2ccc(OC3CC3)cc2)c1=O
Show InChI InChI=1S/C24H22N6O3/c1-3-20(31)28(2)16-5-4-6-17(13-16)30-23-21(22(25)26-14-27-23)29(24(30)32)15-7-9-18(10-8-15)33-19-11-12-19/h3-10,13-14,19H,1,11-12H2,2H3,(H2,25,26,27)
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PHARMACYCLICS LLC

US Patent


Assay Description
Human Btk kinase (Genbank accession # NP_000052) was purified from insect cells as a full-length construct containing a N-terminal 6-His tag. Btk ki...


US Patent US9637487 (2017)

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


(Homo sapiens (human))
BDBM326244
PNG
((E)-3-(3-(6-amino-8-oxo-7-(4-phenoxyphenyl)-7H-pur...)
Show SMILES CNC(=O)C(=C/c1cccc(c1)-n1c2ncnc(N)c2n(-c2ccc(Oc3ccccc3)cc2)c1=O)\C#N
Show InChI InChI=1S/C28H21N7O3/c1-31-27(36)19(16-29)14-18-6-5-7-21(15-18)35-26-24(25(30)32-17-33-26)34(28(35)37)20-10-12-23(13-11-20)38-22-8-3-2-4-9-22/h2-15,17H,1H3,(H,31,36)(H2,30,32,33)/b19-14-
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PHARMACYCLICS LLC

US Patent


Assay Description
Human Btk kinase (Genbank accession # NP_000052) was purified from insect cells as a full-length construct containing a N-terminal 6-His tag. Btk ki...


US Patent US9637487 (2017)

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


(Homo sapiens (human))
BDBM326245
PNG
((E)-N-(3-(6-amino-8-oxo-7-(6-phenoxypyridin-3-yl)-...)
Show SMILES CN(C\C=C\C(=O)N(C)c1cccc(c1)-n1c2ncnc(N)c2n(-c2ccc(Oc3ccccc3)nc2)c1=O)C1CC1
Show InChI InChI=1S/C31H30N8O3/c1-36(21-13-14-21)17-7-12-27(40)37(2)22-8-6-9-23(18-22)39-30-28(29(32)34-20-35-30)38(31(39)41)24-15-16-26(33-19-24)42-25-10-4-3-5-11-25/h3-12,15-16,18-21H,13-14,17H2,1-2H3,(H2,32,34,35)/b12-7+
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PHARMACYCLICS LLC

US Patent


Assay Description
Human Btk kinase (Genbank accession # NP_000052) was purified from insect cells as a full-length construct containing a N-terminal 6-His tag. Btk ki...


US Patent US9637487 (2017)

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


(Homo sapiens (human))
BDBM326220
PNG
((E)-4-(6-amino-9-(3-(4-(dimethylamino)-N-methylbut...)
Show SMILES CCCc1ccnc(NC(=O)c2ccc(cc2)-n2c3c(N)ncnc3n(-c3cccc(c3)N(C)C(=O)\C=C\CN(C)C)c2=O)c1
Show InChI InChI=1S/C33H35N9O3/c1-5-8-22-16-17-35-27(19-22)38-32(44)23-12-14-24(15-13-23)41-29-30(34)36-21-37-31(29)42(33(41)45)26-10-6-9-25(20-26)40(4)28(43)11-7-18-39(2)3/h6-7,9-17,19-21H,5,8,18H2,1-4H3,(H2,34,36,37)(H,35,38,44)/b11-7+
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PHARMACYCLICS LLC

US Patent


Assay Description
Human Btk kinase (Genbank accession # NP_000052) was purified from insect cells as a full-length construct containing a N-terminal 6-His tag. Btk ki...


US Patent US9637487 (2017)

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


(Homo sapiens (human))
BDBM326223
PNG
((E)-4-(6-amino-9-(3-(4-(dimethylamino)-N-methylbut...)
Show SMILES CN(C)C\C=C\C(=O)N(C)c1cccc(c1)-n1c2ncnc(N)c2n(-c2ccc(cc2)C(=O)Nc2cccc(c2)-c2ncccn2)c1=O
Show InChI InChI=1S/C35H32N10O3/c1-42(2)19-6-12-29(46)43(3)27-10-5-11-28(21-27)45-33-30(31(36)39-22-40-33)44(35(45)48)26-15-13-23(14-16-26)34(47)41-25-9-4-8-24(20-25)32-37-17-7-18-38-32/h4-18,20-22H,19H2,1-3H3,(H,41,47)(H2,36,39,40)/b12-6+
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PHARMACYCLICS LLC

US Patent


Assay Description
Human Btk kinase (Genbank accession # NP_000052) was purified from insect cells as a full-length construct containing a N-terminal 6-His tag. Btk ki...


US Patent US9637487 (2017)

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


(Homo sapiens (human))
BDBM326227
PNG
((E)-4-(6-amino-9-(3-(4-(dimethylamino)-N-methylbut...)
Show SMILES CN(C)C\C=C\C(=O)N(C)c1cccc(c1)-n1c2ncnc(N)c2n(-c2ccc(cc2)C(=O)Nc2cc(C)c(F)cn2)c1=O
Show InChI InChI=1S/C31H30FN9O3/c1-19-15-25(34-17-24(19)32)37-30(43)20-10-12-21(13-11-20)40-27-28(33)35-18-36-29(27)41(31(40)44)23-8-5-7-22(16-23)39(4)26(42)9-6-14-38(2)3/h5-13,15-18H,14H2,1-4H3,(H2,33,35,36)(H,34,37,43)/b9-6+
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PHARMACYCLICS LLC

US Patent


Assay Description
Human Btk kinase (Genbank accession # NP_000052) was purified from insect cells as a full-length construct containing a N-terminal 6-His tag. Btk ki...


US Patent US9637487 (2017)

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


(Homo sapiens (human))
BDBM326237
PNG
((E)-N-(3-(6-amino-7-(4-benzoylphenyl)-8-oxo-7H-pur...)
Show SMILES CN(C)C\C=C\C(=O)N(C)c1cccc(c1)-n1c2ncnc(N)c2n(-c2ccc(cc2)C(=O)c2ccccc2)c1=O
Show InChI InChI=1S/C31H29N7O3/c1-35(2)18-8-13-26(39)36(3)24-11-7-12-25(19-24)38-30-27(29(32)33-20-34-30)37(31(38)41)23-16-14-22(15-17-23)28(40)21-9-5-4-6-10-21/h4-17,19-20H,18H2,1-3H3,(H2,32,33,34)/b13-8+
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PHARMACYCLICS LLC

US Patent


Assay Description
Human Btk kinase (Genbank accession # NP_000052) was purified from insect cells as a full-length construct containing a N-terminal 6-His tag. Btk ki...


US Patent US9637487 (2017)

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


(Homo sapiens (human))
BDBM326224
PNG
((E)-4-(6-amino-9-(3-(4-(dimethylamino)-N-methylbut...)
Show SMILES CN(C)C\C=C\C(=O)N(C)c1cccc(c1)-n1c2ncnc(N)c2n(-c2ccc(cc2)C(=O)Nc2ncccc2F)c1=O
Show InChI InChI=1S/C30H28FN9O3/c1-37(2)16-6-10-24(41)38(3)21-7-4-8-22(17-21)40-28-25(26(32)34-18-35-28)39(30(40)43)20-13-11-19(12-14-20)29(42)36-27-23(31)9-5-15-33-27/h4-15,17-18H,16H2,1-3H3,(H2,32,34,35)(H,33,36,42)/b10-6+
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PHARMACYCLICS LLC

US Patent


Assay Description
Human Btk kinase (Genbank accession # NP_000052) was purified from insect cells as a full-length construct containing a N-terminal 6-His tag. Btk ki...


US Patent US9637487 (2017)

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


(Homo sapiens (human))
BDBM326236
PNG
((E)-4-(6-amino-9-(3-(4-(dimethylamino)-N-methylbut...)
Show SMILES CN(C)C\C=C\C(=O)N(C)c1cccc(c1)-n1c2ncnc(N)c2n(-c2ccc(cc2)C(=O)Nc2cc(C)ns2)c1=O
Show InChI InChI=1S/C29H29N9O3S/c1-18-15-23(42-34-18)33-28(40)19-10-12-20(13-11-19)37-25-26(30)31-17-32-27(25)38(29(37)41)22-8-5-7-21(16-22)36(4)24(39)9-6-14-35(2)3/h5-13,15-17H,14H2,1-4H3,(H,33,40)(H2,30,31,32)/b9-6+
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PHARMACYCLICS LLC

US Patent


Assay Description
Human Btk kinase (Genbank accession # NP_000052) was purified from insect cells as a full-length construct containing a N-terminal 6-His tag. Btk ki...


US Patent US9637487 (2017)

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


(Homo sapiens (human))
BDBM326243
PNG
(N-(3-(6-amino-8-oxo-7-(4-phenoxyphenyl)-7H-purin-9...)
Show SMILES CN(C(=O)C1(CC1)C#N)c1cccc(c1)-n1c2ncnc(N)c2n(-c2ccc(Oc3ccccc3)cc2)c1=O
Show InChI InChI=1S/C29H23N7O3/c1-34(27(37)29(17-30)14-15-29)20-6-5-7-21(16-20)36-26-24(25(31)32-18-33-26)35(28(36)38)19-10-12-23(13-11-19)39-22-8-3-2-4-9-22/h2-13,16,18H,14-15H2,1H3,(H2,31,32,33)
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PHARMACYCLICS LLC

US Patent


Assay Description
Human Btk kinase (Genbank accession # NP_000052) was purified from insect cells as a full-length construct containing a N-terminal 6-His tag. Btk ki...


US Patent US9637487 (2017)

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


(Homo sapiens (human))
BDBM326242
PNG
(N-(3-(6-amino-8-oxo-7-(4-phenoxyphenyl)-7H-purin-9...)
Show SMILES CN(C(=O)CC#N)c1cccc(c1)-n1c2ncnc(N)c2n(-c2ccc(Oc3ccccc3)cc2)c1=O
Show InChI InChI=1S/C27H21N7O3/c1-32(23(35)14-15-28)19-6-5-7-20(16-19)34-26-24(25(29)30-17-31-26)33(27(34)36)18-10-12-22(13-11-18)37-21-8-3-2-4-9-21/h2-13,16-17H,14H2,1H3,(H2,29,30,31)
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PHARMACYCLICS LLC

US Patent


Assay Description
Human Btk kinase (Genbank accession # NP_000052) was purified from insect cells as a full-length construct containing a N-terminal 6-His tag. Btk ki...


US Patent US9637487 (2017)

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


(Homo sapiens (human))
BDBM326239
PNG
((E)-N-(3-(6-amino-7-(4-cyclopropoxyphenyl)-8-oxo-7...)
Show SMILES CN(C)C\C=C\C(=O)N(C)c1cccc(c1)-n1c2ncnc(N)c2n(-c2ccc(OC3CC3)cc2)c1=O
Show InChI InChI=1S/C27H29N7O3/c1-31(2)15-5-8-23(35)32(3)19-6-4-7-20(16-19)34-26-24(25(28)29-17-30-26)33(27(34)36)18-9-11-21(12-10-18)37-22-13-14-22/h4-12,16-17,22H,13-15H2,1-3H3,(H2,28,29,30)/b8-5+
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PHARMACYCLICS LLC

US Patent


Assay Description
Human Btk kinase (Genbank accession # NP_000052) was purified from insect cells as a full-length construct containing a N-terminal 6-His tag. Btk ki...


US Patent US9637487 (2017)

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


(Homo sapiens (human))
BDBM326226
PNG
((E)-4-(6-amino-9-(3-(4-(dimethylamino)-N-methylbut...)
Show SMILES CN(C)C\C=C\C(=O)N(C)c1cccc(c1)-n1c2ncnc(N)c2n(-c2ccc(cc2)C(=O)Nc2cncc(F)c2)c1=O
Show InChI InChI=1S/C30H28FN9O3/c1-37(2)13-5-8-25(41)38(3)23-6-4-7-24(15-23)40-28-26(27(32)34-18-35-28)39(30(40)43)22-11-9-19(10-12-22)29(42)36-21-14-20(31)16-33-17-21/h4-12,14-18H,13H2,1-3H3,(H,36,42)(H2,32,34,35)/b8-5+
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PHARMACYCLICS LLC

US Patent


Assay Description
Human Btk kinase (Genbank accession # NP_000052) was purified from insect cells as a full-length construct containing a N-terminal 6-His tag. Btk ki...


US Patent US9637487 (2017)

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


(Homo sapiens (human))
BDBM326235
PNG
((E)-4-(6-amino-9-(3-(4-(dimethylamino)-N-methylbut...)
Show SMILES CN(C)C\C=C\C(=O)N(C)c1cccc(c1)-n1c2ncnc(N)c2n(-c2ccc(cc2)C(=O)Nc2nnc(C)s2)c1=O
Show InChI InChI=1S/C28H28N10O3S/c1-17-33-34-27(42-17)32-26(40)18-10-12-19(13-11-18)37-23-24(29)30-16-31-25(23)38(28(37)41)21-8-5-7-20(15-21)36(4)22(39)9-6-14-35(2)3/h5-13,15-16H,14H2,1-4H3,(H2,29,30,31)(H,32,34,40)/b9-6+
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n/an/a 5.50E+3n/an/an/an/an/an/a



PHARMACYCLICS LLC

US Patent


Assay Description
Human Btk kinase (Genbank accession # NP_000052) was purified from insect cells as a full-length construct containing a N-terminal 6-His tag. Btk ki...


US Patent US9637487 (2017)

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