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Patent code US9656988

Compile Data Set for Download or QSAR

Found 1351 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))
BDBM309782
PNG
(Synthesis of 3-(4-(4-carbamoyl-1-cyclopentylpiperi...)
Show SMILES C[C@@H]1[C@@H](CCCN1c1cnc(C(N)=O)c(Nc2ccc(cc2)C2(CCN(CC2)C2CCCC2)C(N)=O)n1)NC(=O)N(C)C
Show InChI InChI=1S/C31H45N9O3/c1-20-24(36-30(43)38(2)3)9-6-16-40(20)25-19-34-26(27(32)41)28(37-25)35-22-12-10-21(11-13-22)31(29(33)42)14-17-39(18-15-31)23-7-4-5-8-23/h10-13,19-20,23-24H,4-9,14-18H2,1-3H3,(H2,32,41)(H2,33,42)(H,35,37)(H,36,43)/t20-,24-/m1/s1
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n/an/a<10n/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 US9656988 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK (C481S)


(Homo sapiens (human))
BDBM309787
PNG
(Synthesis of (R)-3-(4-(1-cyclopentylpiperidin-4-yl...)
Show SMILES CN1CCN([C@@H]2CCCN(C2)c2cnc(C(N)=O)c(Nc3ccc(cc3)C3CCNCC3)n2)C1=O
Show InChI InChI=1S/C25H34N8O2/c1-31-13-14-33(25(31)35)20-3-2-12-32(16-20)21-15-28-22(23(26)34)24(30-21)29-19-6-4-17(5-7-19)18-8-10-27-11-9-18/h4-7,15,18,20,27H,2-3,8-14,16H2,1H3,(H2,26,34)(H,29,30)/t20-/m1/s1
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PHARMACYCLICS LLC

US Patent


Assay Description
The degree of inhibition of a panel of kinases is determined using the in vitro HotSpot kinase assay (purified enzymes, 33P-ATP, an appropriate subst...


US Patent US9656988 (2017)

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


(Homo sapiens (human))
BDBM309789
PNG
(Synthesis of (R)-3-(4-(1-cyclobutylpiperidin-4-yl)...)
Show SMILES CN1CCN([C@@H]2CCCN(C2)c2cnc(C(N)=O)c(Nc3ccc(cc3)C3CCN(CC3)C3CCC3)n2)C1=O
Show InChI InChI=1S/C29H40N8O2/c1-34-16-17-37(29(34)39)24-6-3-13-36(19-24)25-18-31-26(27(30)38)28(33-25)32-22-9-7-20(8-10-22)21-11-14-35(15-12-21)23-4-2-5-23/h7-10,18,21,23-24H,2-6,11-17,19H2,1H3,(H2,30,38)(H,32,33)/t24-/m1/s1
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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 US9656988 (2017)

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


(Homo sapiens (human))
BDBM309660
PNG
(Synthesis of (R)-5-(3-(4-tert-butylbenzamido)piper...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2nc(cnc2C(N)=O)N2CCC[C@H](C2)NC(=O)c2ccc(cc2)C(C)(C)C)cc1
Show InChI InChI=1S/C32H42N8O2/c1-32(2,3)23-9-7-22(8-10-23)31(42)36-25-6-5-15-40(21-25)27-20-34-28(29(33)41)30(37-27)35-24-11-13-26(14-12-24)39-18-16-38(4)17-19-39/h7-14,20,25H,5-6,15-19,21H2,1-4H3,(H2,33,41)(H,35,37)(H,36,42)/t25-/m1/s1
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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 US9656988 (2017)

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


(Homo sapiens (human))
BDBM309665
PNG
(Synthesis of (R)-3-(4-(1-isopropylpiperidin-4-yl)p...)
Show SMILES COc1ccc(cc1)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)C2CCN(CC2)C(=O)OC(C)(C)C)n1
Show InChI InChI=1S/C34H43N7O5/c1-34(2,3)46-33(44)40-18-15-23(16-19-40)22-7-11-25(12-8-22)37-31-29(30(35)42)36-20-28(39-31)41-17-5-6-26(21-41)38-32(43)24-9-13-27(45-4)14-10-24/h7-14,20,23,26H,5-6,15-19,21H2,1-4H3,(H2,35,42)(H,37,39)(H,38,43)/t26-/m1/s1
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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 US9656988 (2017)

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


(Homo sapiens (human))
BDBM309676
PNG
(Synthesis of (R)-3-(4-(methylsulfonyl)phenylamino)...)
Show SMILES CS(=O)(=O)c1ccc(Nc2nc(cnc2C(N)=O)N2CCC[C@H](C2)NC(=O)N2CCCCC2)cc1
Show InChI InChI=1S/C23H31N7O4S/c1-35(33,34)18-9-7-16(8-10-18)26-22-20(21(24)31)25-14-19(28-22)30-13-5-6-17(15-30)27-23(32)29-11-3-2-4-12-29/h7-10,14,17H,2-6,11-13,15H2,1H3,(H2,24,31)(H,26,28)(H,27,32)/t17-/m1/s1
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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 US9656988 (2017)

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


(Homo sapiens (human))
BDBM309678
PNG
(Synthesis of (R)-3-(4-(1-methylpiperidin-4-yl)phen...)
Show SMILES CN1CCC(CC1)c1ccc(Nc2nc(cnc2C(N)=O)N2CCC[C@H](C2)NC(=O)N2CCCCC2)cc1
Show InChI InChI=1S/C28H40N8O2/c1-34-16-11-21(12-17-34)20-7-9-22(10-8-20)31-27-25(26(29)37)30-18-24(33-27)36-15-5-6-23(19-36)32-28(38)35-13-3-2-4-14-35/h7-10,18,21,23H,2-6,11-17,19H2,1H3,(H2,29,37)(H,31,33)(H,32,38)/t23-/m1/s1
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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 US9656988 (2017)

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


(Homo sapiens (human))
BDBM309679
PNG
(Synthesis of (R)-3-(4-(1-formylpiperidin-4-yl)phen...)
Show SMILES NC(=O)c1ncc(nc1Nc1ccc(cc1)C1CCN(CC1)C=O)N1CCC[C@H](C1)NC(=O)N1CCCCC1
Show InChI InChI=1S/C28H38N8O3/c29-26(38)25-27(31-22-8-6-20(7-9-22)21-10-15-34(19-37)16-11-21)33-24(17-30-25)36-14-4-5-23(18-36)32-28(39)35-12-2-1-3-13-35/h6-9,17,19,21,23H,1-5,10-16,18H2,(H2,29,38)(H,31,33)(H,32,39)/t23-/m1/s1
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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 US9656988 (2017)

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


(Homo sapiens (human))
BDBM309682
PNG
(Synthesis of (R)-5-(3-(3,3-dimethylureido)piperidi...)
Show SMILES CN(C)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)S(C)(=O)=O)n1
Show InChI InChI=1S/C20H27N7O4S/c1-26(2)20(29)24-14-5-4-10-27(12-14)16-11-22-17(18(21)28)19(25-16)23-13-6-8-15(9-7-13)32(3,30)31/h6-9,11,14H,4-5,10,12H2,1-3H3,(H2,21,28)(H,23,25)(H,24,29)/t14-/m1/s1
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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 US9656988 (2017)

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


(Homo sapiens (human))
BDBM309685
PNG
(Synthesis of (R)-5-(3-(3,3-dimethylureido)piperidi...)
Show SMILES CN(C)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)C2CCNCC2)n1
Show InChI InChI=1S/C24H34N8O2/c1-31(2)24(34)29-19-4-3-13-32(15-19)20-14-27-21(22(25)33)23(30-20)28-18-7-5-16(6-8-18)17-9-11-26-12-10-17/h5-8,14,17,19,26H,3-4,9-13,15H2,1-2H3,(H2,25,33)(H,28,30)(H,29,34)/t19-/m1/s1
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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 US9656988 (2017)

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


(Homo sapiens (human))
BDBM309700
PNG
(Synthesis of (R)-5-(3-(4-ethoxybenzamido)piperidin...)
Show SMILES CCOc1ccc(cc1)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)C2CCN(C)CC2)n1
Show InChI InChI=1S/C31H39N7O3/c1-3-41-26-12-8-23(9-13-26)31(40)35-25-5-4-16-38(20-25)27-19-33-28(29(32)39)30(36-27)34-24-10-6-21(7-11-24)22-14-17-37(2)18-15-22/h6-13,19,22,25H,3-5,14-18,20H2,1-2H3,(H2,32,39)(H,34,36)(H,35,40)/t25-/m1/s1
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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 US9656988 (2017)

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


(Homo sapiens (human))
BDBM309799
PNG
(Synthesis of (R)-3-(4-(1-formyl-4-methylpiperidin-...)
Show SMILES CN1CCN([C@@H]2CCCN(C2)c2cnc(C(N)=O)c(Nc3ccc(cc3)C3(C)CCN(CC3)C=O)n2)C1=O
Show InChI InChI=1S/C27H36N8O3/c1-27(9-12-33(18-36)13-10-27)19-5-7-20(8-6-19)30-25-23(24(28)37)29-16-22(31-25)34-11-3-4-21(17-34)35-15-14-32(2)26(35)38/h5-8,16,18,21H,3-4,9-15,17H2,1-2H3,(H2,28,37)(H,30,31)/t21-/m1/s1
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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 US9656988 (2017)

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


(Homo sapiens (human))
BDBM309802
PNG
(Synthesis of (R)-3-(4-(4-cyano-1-cyclopentylpiperi...)
Show SMILES CN1CCN([C@@H]2CCCN(C2)c2cnc(C(N)=O)c(Nc3ccc(cc3)C3(CCN(CC3)C3CCCC3)C#N)n2)C1=O
Show InChI InChI=1S/C31H41N9O2/c1-37-17-18-40(30(37)42)25-7-4-14-39(20-25)26-19-34-27(28(33)41)29(36-26)35-23-10-8-22(9-11-23)31(21-32)12-15-38(16-13-31)24-5-2-3-6-24/h8-11,19,24-25H,2-7,12-18,20H2,1H3,(H2,33,41)(H,35,36)/t25-/m1/s1
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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 US9656988 (2017)

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


(Homo sapiens (human))
BDBM309733
PNG
(Synthesis of (R)-3-(4-(1-(dimethylcarbamoyl)cyclop...)
Show SMILES CN(C)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)C2(CC2)C(=O)N(C)C)n1
Show InChI InChI=1S/C25H34N8O3/c1-31(2)23(35)25(11-12-25)16-7-9-17(10-8-16)28-22-20(21(26)34)27-14-19(30-22)33-13-5-6-18(15-33)29-24(36)32(3)4/h7-10,14,18H,5-6,11-13,15H2,1-4H3,(H2,26,34)(H,28,30)(H,29,36)/t18-/m1/s1
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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 US9656988 (2017)

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


(Homo sapiens (human))
BDBM309734
PNG
(Synthesis of (R)-3-(4-(1-cyanocyclopentyl)phenylam...)
Show SMILES CN(C)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)C2(CCCC2)[N+]#[C-])n1
Show InChI InChI=1S/C25H32N8O2/c1-27-25(12-4-5-13-25)17-8-10-18(11-9-17)29-23-21(22(26)34)28-15-20(31-23)33-14-6-7-19(16-33)30-24(35)32(2)3/h8-11,15,19H,4-7,12-14,16H2,2-3H3,(H2,26,34)(H,29,31)(H,30,35)/t19-/m1/s1
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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 US9656988 (2017)

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


(Homo sapiens (human))
BDBM309746
PNG
(Synthesis of (R)-3-(4-(4-cyclopentylpiperazin-1-yl...)
Show SMILES CN(C)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)N2CCN(CC2)C2CCCC2)n1
Show InChI InChI=1S/C28H41N9O2/c1-34(2)28(39)32-21-6-5-13-37(19-21)24-18-30-25(26(29)38)27(33-24)31-20-9-11-23(12-10-20)36-16-14-35(15-17-36)22-7-3-4-8-22/h9-12,18,21-22H,3-8,13-17,19H2,1-2H3,(H2,29,38)(H,31,33)(H,32,39)/t21-/m1/s1
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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 US9656988 (2017)

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


(Homo sapiens (human))
BDBM309809
PNG
(Synthesis of (R)-3-(4-(1-cyclobutylpiperidin-4-yl)...)
Show SMILES NC(=O)c1ncc(nc1Nc1ccc(cc1)C1CCN(CC1)C1CCC1)N1CCC[C@H](C1)N1CCN(C2CC2)C1=O
Show InChI InChI=1S/C31H42N8O2/c32-29(40)28-30(34-23-8-6-21(7-9-23)22-12-15-36(16-13-22)24-3-1-4-24)35-27(19-33-28)37-14-2-5-26(20-37)39-18-17-38(31(39)41)25-10-11-25/h6-9,19,22,24-26H,1-5,10-18,20H2,(H2,32,40)(H,34,35)/t26-/m1/s1
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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 US9656988 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK (C481S)


(Homo sapiens (human))
BDBM309811
PNG
(Synthesis of (R)-5-(3-(3-(3-chlorophenyl)-2-oxoimi...)
Show SMILES NC(=O)c1ncc(nc1Nc1ccc(cc1)C1CCN(CC1)C1CCCC1)N1CCC[C@H](C1)N1CCN(C1=O)c1cccc(Cl)c1
Show InChI InChI=1S/C35H43ClN8O2/c36-26-5-3-8-29(21-26)43-19-20-44(35(43)46)30-9-4-16-42(23-30)31-22-38-32(33(37)45)34(40-31)39-27-12-10-24(11-13-27)25-14-17-41(18-15-25)28-6-1-2-7-28/h3,5,8,10-13,21-22,25,28,30H,1-2,4,6-7,9,14-20,23H2,(H2,37,45)(H,39,40)/t30-/m1/s1
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PHARMACYCLICS LLC

US Patent


Assay Description
The degree of inhibition of a panel of kinases is determined using the in vitro HotSpot kinase assay (purified enzymes, 33P-ATP, an appropriate subst...


US Patent US9656988 (2017)

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


(Homo sapiens (human))
BDBM309812
PNG
(Synthesis of 3-(4-(1-cyclopentylpiperidin-4-yl)phe...)
Show SMILES C[C@@H]1[C@@H](CCCN1c1cnc(C#N)c(Nc2ccc(cc2)C2CCN(CC2)C2CCCC2)n1)N1CCCN(C)C1=O
Show InChI InChI=1S/C32H44N8O/c1-23-29(40-18-6-16-37(2)32(40)41)9-5-17-39(23)30-22-34-28(21-33)31(36-30)35-26-12-10-24(11-13-26)25-14-19-38(20-15-25)27-7-3-4-8-27/h10-13,22-23,25,27,29H,3-9,14-20H2,1-2H3,(H,35,36)/t23-,29-/m1/s1
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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 US9656988 (2017)

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


(Homo sapiens (human))
BDBM309775
PNG
(Synthesis of 5-((2R,3R)-3-(3,3-dimethylureido)-2-m...)
Show SMILES C[C@@H]1[C@@H](CCCN1c1cnc(C(N)=O)c(Nc2ccc(cc2)S(C)(=O)=O)n1)NC(=O)N(C)C
Show InChI InChI=1S/C21H29N7O4S/c1-13-16(25-21(30)27(2)3)6-5-11-28(13)17-12-23-18(19(22)29)20(26-17)24-14-7-9-15(10-8-14)33(4,31)32/h7-10,12-13,16H,5-6,11H2,1-4H3,(H2,22,29)(H,24,26)(H,25,30)/t13-,16-/m1/s1
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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 US9656988 (2017)

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


(Homo sapiens (human))
BDBM309788
PNG
(Synthesis of (R)-3-(4-(1-ethylpiperidin-4-yl)pheny...)
Show SMILES CCN1CCC(CC1)c1ccc(Nc2nc(cnc2C(N)=O)N2CCC[C@H](C2)N2CCN(C)C2=O)cc1
Show InChI InChI=1S/C27H38N8O2/c1-3-33-13-10-20(11-14-33)19-6-8-21(9-7-19)30-26-24(25(28)36)29-17-23(31-26)34-12-4-5-22(18-34)35-16-15-32(2)27(35)37/h6-9,17,20,22H,3-5,10-16,18H2,1-2H3,(H2,28,36)(H,30,31)/t22-/m1/s1
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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 US9656988 (2017)

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


(Homo sapiens (human))
BDBM309790
PNG
(Synthesis of (R)-3-(4-(1-cyclopropylpiperidin-4-yl...)
Show SMILES CN1CCN([C@@H]2CCCN(C2)c2cnc(C(N)=O)c(Nc3ccc(cc3)C3CCN(CC3)C3CC3)n2)C1=O
Show InChI InChI=1S/C28H38N8O2/c1-33-15-16-36(28(33)38)23-3-2-12-35(18-23)24-17-30-25(26(29)37)27(32-24)31-21-6-4-19(5-7-21)20-10-13-34(14-11-20)22-8-9-22/h4-7,17,20,22-23H,2-3,8-16,18H2,1H3,(H2,29,37)(H,31,32)/t23-/m1/s1
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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 US9656988 (2017)

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


(Homo sapiens (human))
BDBM309809
PNG
(Synthesis of (R)-3-(4-(1-cyclobutylpiperidin-4-yl)...)
Show SMILES NC(=O)c1ncc(nc1Nc1ccc(cc1)C1CCN(CC1)C1CCC1)N1CCC[C@H](C1)N1CCN(C2CC2)C1=O
Show InChI InChI=1S/C31H42N8O2/c32-29(40)28-30(34-23-8-6-21(7-9-23)22-12-15-36(16-13-22)24-3-1-4-24)35-27(19-33-28)37-14-2-5-26(20-37)39-18-17-38(31(39)41)25-10-11-25/h6-9,19,22,24-26H,1-5,10-18,20H2,(H2,32,40)(H,34,35)/t26-/m1/s1
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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 US9656988 (2017)

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


(Homo sapiens (human))
BDBM309826
PNG
(Synthesis of (R)-3-(4-(1-cyclopentylpiperidin-4-yl...)
Show SMILES NC(=O)c1ncc(nc1Nc1ccc(cc1)C1CCN(CC1)C1CCCC1)N1CCC[C@H](C1)NC=O
Show InChI InChI=1S/C27H37N7O2/c28-26(36)25-27(32-24(16-29-25)34-13-3-4-22(17-34)30-18-35)31-21-9-7-19(8-10-21)20-11-14-33(15-12-20)23-5-1-2-6-23/h7-10,16,18,20,22-23H,1-6,11-15,17H2,(H2,28,36)(H,30,35)(H,31,32)/t22-/m1/s1
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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 US9656988 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK (C481S)


(Homo sapiens (human))
BDBM309830
PNG
(Synthesis of (R)-3-(4-(1-cyclopentylpiperidin-4-yl...)
Show SMILES NC(=O)c1ncc(nc1Nc1ccc(cc1)C1CCN(CC1)C1CCCC1)N1CCC[C@H](C1)NC(=O)C1CC1
Show InChI InChI=1S/C30H41N7O2/c31-28(38)27-29(35-26(18-32-27)37-15-3-4-24(19-37)34-30(39)22-7-8-22)33-23-11-9-20(10-12-23)21-13-16-36(17-14-21)25-5-1-2-6-25/h9-12,18,21-22,24-25H,1-8,13-17,19H2,(H2,31,38)(H,33,35)(H,34,39)/t24-/m1/s1
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PHARMACYCLICS LLC

US Patent


Assay Description
The degree of inhibition of a panel of kinases is determined using the in vitro HotSpot kinase assay (purified enzymes, 33P-ATP, an appropriate subst...


US Patent US9656988 (2017)

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


(Homo sapiens (human))
BDBM309838
PNG
(Synthesis of (R)-3-(4-(1-cyclopentylpiperidin-4-yl...)
Show SMILES NC(=O)c1ncc(nc1Nc1ccc(cc1)C1CCN(CC1)C1CCCC1)N1CCC[C@H](C1)N1Cc2ccccc2C1=O
Show InChI InChI=1S/C34H41N7O2/c35-32(42)31-33(37-26-13-11-23(12-14-26)24-15-18-39(19-16-24)27-7-2-3-8-27)38-30(20-36-31)40-17-5-9-28(22-40)41-21-25-6-1-4-10-29(25)34(41)43/h1,4,6,10-14,20,24,27-28H,2-3,5,7-9,15-19,21-22H2,(H2,35,42)(H,37,38)/t28-/m1/s1
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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 US9656988 (2017)

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


(Homo sapiens (human))
BDBM309842
PNG
(Synthesis of (R)-5-(3-(4-chlorobenzamido)piperidin...)
Show SMILES NC(=O)c1ncc(nc1Nc1ccc(cc1)C1CCN(CC1)C1CC1)N1CCC[C@H](C1)NC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C31H36ClN7O2/c32-23-7-3-22(4-8-23)31(41)36-25-2-1-15-39(19-25)27-18-34-28(29(33)40)30(37-27)35-24-9-5-20(6-10-24)21-13-16-38(17-14-21)26-11-12-26/h3-10,18,21,25-26H,1-2,11-17,19H2,(H2,33,40)(H,35,37)(H,36,41)/t25-/m1/s1
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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 US9656988 (2017)

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


(Homo sapiens (human))
BDBM309861
PNG
(Synthesis of (R)-5-(4-(1-cyclopentylpiperidin-4-yl...)
Show SMILES CCC(=O)N[C@@H]1CCCN(C1)c1nnc(C(N)=O)c(Nc2ccc(cc2)C2CCN(CC2)C2CCCC2)n1
Show InChI InChI=1S/C28H40N8O2/c1-2-24(37)30-22-6-5-15-36(18-22)28-32-27(25(26(29)38)33-34-28)31-21-11-9-19(10-12-21)20-13-16-35(17-14-20)23-7-3-4-8-23/h9-12,20,22-23H,2-8,13-18H2,1H3,(H2,29,38)(H,30,37)(H,31,32,34)/t22-/m1/s1
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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 US9656988 (2017)

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


(Homo sapiens (human))
BDBM309862
PNG
(Synthesis of (R)-5-(4-(4-cyclopentylpiperazin-1-yl...)
Show SMILES COc1ccc(cc1)C(=O)N[C@@H]1CCCN(C1)c1nnc(C(N)=O)c(Nc2ccc(cc2)N2CCN(CC2)C2CCCC2)n1
Show InChI InChI=1S/C32H41N9O3/c1-44-27-14-8-22(9-15-27)31(43)35-24-5-4-16-41(21-24)32-36-30(28(29(33)42)37-38-32)34-23-10-12-26(13-11-23)40-19-17-39(18-20-40)25-6-2-3-7-25/h8-15,24-25H,2-7,16-21H2,1H3,(H2,33,42)(H,35,43)(H,34,36,38)/t24-/m1/s1
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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 US9656988 (2017)

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


(Homo sapiens (human))
BDBM309865
PNG
(Synthesis of (R)-5-(4-(1-cyclopentylpiperidin-4-yl...)
Show SMILES COc1ccc(cc1)C(=O)N[C@@H]1CCCN(C1)c1nnc(C(N)=O)c(Nc2ccc(cc2)C2CCN(CC2)C2CCCC2)n1
Show InChI InChI=1S/C33H42N8O3/c1-44-28-14-10-24(11-15-28)32(43)36-26-5-4-18-41(21-26)33-37-31(29(30(34)42)38-39-33)35-25-12-8-22(9-13-25)23-16-19-40(20-17-23)27-6-2-3-7-27/h8-15,23,26-27H,2-7,16-21H2,1H3,(H2,34,42)(H,36,43)(H,35,37,39)/t26-/m1/s1
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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 US9656988 (2017)

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


(Homo sapiens (human))
BDBM309868
PNG
((R)-5-(4-(1-formylpiperidin-4-yl)phenylamino)-3-(3...)
Show SMILES NC(=O)c1nnc(nc1Nc1ccc(cc1)C1CCN(CC1)C=O)N1CCC[C@H](C1)NC(=O)N1CCCCC1
Show InChI InChI=1S/C27H37N9O3/c28-24(38)23-25(29-21-8-6-19(7-9-21)20-10-15-34(18-37)16-11-20)31-26(33-32-23)36-14-4-5-22(17-36)30-27(39)35-12-2-1-3-13-35/h6-9,18,20,22H,1-5,10-17H2,(H2,28,38)(H,30,39)(H,29,31,33)/t22-/m1/s1
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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 US9656988 (2017)

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


(Homo sapiens (human))
BDBM309880
PNG
(Synthesis of (R)-3-(4-(1-cyclopentylpiperidin-4-yl...)
Show SMILES CC1[C@@H](CCCN1c1cnc(C(N)=O)c(Nc2ccc(cc2)C2CCN(CC2)C2CCCC2)n1)NC(=O)C1CC1
Show InChI InChI=1S/C31H43N7O2/c1-20-26(35-31(40)23-8-9-23)7-4-16-38(20)27-19-33-28(29(32)39)30(36-27)34-24-12-10-21(11-13-24)22-14-17-37(18-15-22)25-5-2-3-6-25/h10-13,19-20,22-23,25-26H,2-9,14-18H2,1H3,(H2,32,39)(H,34,36)(H,35,40)/t20?,26-/m1/s1
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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 US9656988 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK (C481S)


(Homo sapiens (human))
BDBM309844
PNG
(Synthesis of (R)-5-(3-(5-chloronicotinamido)piperi...)
Show SMILES NC(=O)c1ncc(nc1Nc1ccc(cc1)C1CCN(CC1)C1CC1)N1CCC[C@H](C1)NC(=O)c1cncc(Cl)c1
Show InChI InChI=1S/C30H35ClN8O2/c31-22-14-21(15-33-16-22)30(41)36-24-2-1-11-39(18-24)26-17-34-27(28(32)40)29(37-26)35-23-5-3-19(4-6-23)20-9-12-38(13-10-20)25-7-8-25/h3-6,14-17,20,24-25H,1-2,7-13,18H2,(H2,32,40)(H,35,37)(H,36,41)/t24-/m1/s1
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PHARMACYCLICS LLC

US Patent


Assay Description
The degree of inhibition of a panel of kinases is determined using the in vitro HotSpot kinase assay (purified enzymes, 33P-ATP, an appropriate subst...


US Patent US9656988 (2017)

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


(Homo sapiens (human))
BDBM309868
PNG
((R)-5-(4-(1-formylpiperidin-4-yl)phenylamino)-3-(3...)
Show SMILES NC(=O)c1nnc(nc1Nc1ccc(cc1)C1CCN(CC1)C=O)N1CCC[C@H](C1)NC(=O)N1CCCCC1
Show InChI InChI=1S/C27H37N9O3/c28-24(38)23-25(29-21-8-6-19(7-9-21)20-10-15-34(18-37)16-11-20)31-26(33-32-23)36-14-4-5-22(17-36)30-27(39)35-12-2-1-3-13-35/h6-9,18,20,22H,1-5,10-17H2,(H2,28,38)(H,30,39)(H,29,31,33)/t22-/m1/s1
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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 US9656988 (2017)

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


(Homo sapiens (human))
BDBM309630
PNG
(Synthesis of (R)-3-(3-(3,3-diethylureido)piperidin...)
Show SMILES CCN(CC)C(=O)N[C@@H]1CCCN(C1)c1nnc(C(N)=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1
Show InChI InChI=1S/C25H35N9O4/c1-3-32(4-2)25(37)28-19-6-5-11-34(16-19)24-29-22(20(21(26)35)30-31-24)27-18-9-7-17(8-10-18)23(36)33-12-14-38-15-13-33/h7-10,19H,3-6,11-16H2,1-2H3,(H2,26,35)(H,28,37)(H,27,29,31)/t19-/m1/s1
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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 US9656988 (2017)

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


(Homo sapiens (human))
BDBM309688
PNG
(Synthesis of (R)-5-((1-but-2-ynoylpiperidin-3-yl)(...)
Show SMILES CC#CC(=O)N1CCC[C@H](C1)N(C)c1cnc(C(N)=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1
Show InChI InChI=1S/C26H31N7O4/c1-3-5-22(34)33-11-4-6-20(17-33)31(2)21-16-28-23(24(27)35)25(30-21)29-19-9-7-18(8-10-19)26(36)32-12-14-37-15-13-32/h7-10,16,20H,4,6,11-15,17H2,1-2H3,(H2,27,35)(H,29,30)/t20-/m1/s1
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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 US9656988 (2017)

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


(Homo sapiens (human))
BDBM309619
PNG
(Synthesis of (R)-5-(4-(morpholine-4-carbonyl)pheny...)
Show SMILES CCCOc1ccc(cc1)C(=O)N[C@@H]1CCCN(C1)c1nnc(C(N)=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1
Show InChI InChI=1S/C30H36N8O5/c1-2-16-43-24-11-7-20(8-12-24)28(40)33-23-4-3-13-38(19-23)30-34-27(25(26(31)39)35-36-30)32-22-9-5-21(6-10-22)29(41)37-14-17-42-18-15-37/h5-12,23H,2-4,13-19H2,1H3,(H2,31,39)(H,33,40)(H,32,34,36)/t23-/m1/s1
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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 US9656988 (2017)

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


(Homo sapiens (human))
BDBM309782
PNG
(Synthesis of 3-(4-(4-carbamoyl-1-cyclopentylpiperi...)
Show SMILES C[C@@H]1[C@@H](CCCN1c1cnc(C(N)=O)c(Nc2ccc(cc2)C2(CCN(CC2)C2CCCC2)C(N)=O)n1)NC(=O)N(C)C
Show InChI InChI=1S/C31H45N9O3/c1-20-24(36-30(43)38(2)3)9-6-16-40(20)25-19-34-26(27(32)41)28(37-25)35-22-12-10-21(11-13-22)31(29(33)42)14-17-39(18-15-31)23-7-4-5-8-23/h10-13,19-20,23-24H,4-9,14-18H2,1-3H3,(H2,32,41)(H2,33,42)(H,35,37)(H,36,43)/t20-,24-/m1/s1
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PHARMACYCLICS LLC

US Patent


Assay Description
The degree of inhibition of a panel of kinases is determined using the in vitro HotSpot kinase assay (purified enzymes, 33P-ATP, an appropriate subst...


US Patent US9656988 (2017)

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


(Homo sapiens (human))
BDBM309785
PNG
(Synthesis of 3-(4-(1-cyclobutyl-4-methylpiperidin-...)
Show SMILES C[C@@H]1[C@@H](CCCN1c1cnc(C(N)=O)c(Nc2ccc(cc2)C2(C)CCN(CC2)C2CCC2)n1)N1CCN(C)C1=O
Show InChI InChI=1S/C31H44N8O2/c1-21-25(39-19-18-36(3)30(39)41)8-5-15-38(21)26-20-33-27(28(32)40)29(35-26)34-23-11-9-22(10-12-23)31(2)13-16-37(17-14-31)24-6-4-7-24/h9-12,20-21,24-25H,4-8,13-19H2,1-3H3,(H2,32,40)(H,34,35)/t21-,25-/m1/s1
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PHARMACYCLICS LLC

US Patent


Assay Description
The degree of inhibition of a panel of kinases is determined using the in vitro HotSpot kinase assay (purified enzymes, 33P-ATP, an appropriate subst...


US Patent US9656988 (2017)

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


(Homo sapiens (human))
BDBM309790
PNG
(Synthesis of (R)-3-(4-(1-cyclopropylpiperidin-4-yl...)
Show SMILES CN1CCN([C@@H]2CCCN(C2)c2cnc(C(N)=O)c(Nc3ccc(cc3)C3CCN(CC3)C3CC3)n2)C1=O
Show InChI InChI=1S/C28H38N8O2/c1-33-15-16-36(28(33)38)23-3-2-12-35(18-23)24-17-30-25(26(29)37)27(32-24)31-21-6-4-19(5-7-21)20-10-13-34(14-11-20)22-8-9-22/h4-7,17,20,22-23H,2-3,8-16,18H2,1H3,(H2,29,37)(H,31,32)/t23-/m1/s1
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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 US9656988 (2017)

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


(Homo sapiens (human))
BDBM309791
PNG
(Synthesis of (R)-5-(3-(3-methyl-2-oxoimidazolidin-...)
Show SMILES CN1CCN([C@@H]2CCCN(C2)c2cnc(C(N)=O)c(Nc3ccc(cc3)C3CCS(=O)(=O)CC3)n2)C1=O
Show InChI InChI=1S/C25H33N7O4S/c1-30-11-12-32(25(30)34)20-3-2-10-31(16-20)21-15-27-22(23(26)33)24(29-21)28-19-6-4-17(5-7-19)18-8-13-37(35,36)14-9-18/h4-7,15,18,20H,2-3,8-14,16H2,1H3,(H2,26,33)(H,28,29)/t20-/m1/s1
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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 US9656988 (2017)

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


(Homo sapiens (human))
BDBM309795
PNG
(Synthesis of (R)-3-(4-(1-isopropyl-4-methylpiperid...)
Show SMILES CC(C)N1CCC(C)(CC1)c1ccc(Nc2nc(cnc2C(N)=O)N2CCC[C@H](C2)N2CCN(C)C2=O)cc1
Show InChI InChI=1S/C29H42N8O2/c1-20(2)35-14-11-29(3,12-15-35)21-7-9-22(10-8-21)32-27-25(26(30)38)31-18-24(33-27)36-13-5-6-23(19-36)37-17-16-34(4)28(37)39/h7-10,18,20,23H,5-6,11-17,19H2,1-4H3,(H2,30,38)(H,32,33)/t23-/m1/s1
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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 US9656988 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK (C481S)


(Homo sapiens (human))
BDBM309795
PNG
(Synthesis of (R)-3-(4-(1-isopropyl-4-methylpiperid...)
Show SMILES CC(C)N1CCC(C)(CC1)c1ccc(Nc2nc(cnc2C(N)=O)N2CCC[C@H](C2)N2CCN(C)C2=O)cc1
Show InChI InChI=1S/C29H42N8O2/c1-20(2)35-14-11-29(3,12-15-35)21-7-9-22(10-8-21)32-27-25(26(30)38)31-18-24(33-27)36-13-5-6-23(19-36)37-17-16-34(4)28(37)39/h7-10,18,20,23H,5-6,11-17,19H2,1-4H3,(H2,30,38)(H,32,33)/t23-/m1/s1
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PHARMACYCLICS LLC

US Patent


Assay Description
The degree of inhibition of a panel of kinases is determined using the in vitro HotSpot kinase assay (purified enzymes, 33P-ATP, an appropriate subst...


US Patent US9656988 (2017)

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


(Homo sapiens (human))
BDBM309656
PNG
(Synthesis of (R)-3-(3-fluoro-4-morpholinophenylami...)
Show SMILES COc1ccc(cc1)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(N3CCOCC3)c(F)c2)n1
Show InChI InChI=1S/C28H32FN7O4/c1-39-21-7-4-18(5-8-21)28(38)33-20-3-2-10-36(17-20)24-16-31-25(26(30)37)27(34-24)32-19-6-9-23(22(29)15-19)35-11-13-40-14-12-35/h4-9,15-16,20H,2-3,10-14,17H2,1H3,(H2,30,37)(H,32,34)(H,33,38)/t20-/m1/s1
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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 US9656988 (2017)

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


(Homo sapiens (human))
BDBM309675
PNG
(Synthesis of (R)-3-(4-(4-(dimethylcarbamoyl)piperi...)
Show SMILES CCOC(=O)C1CCN(CC1)c1ccc(Nc2nc(cnc2C#N)N2CCC[C@H](C2)NC(=O)c2ccc(OC)cc2)cc1
Show InChI InChI=1S/C32H37N7O4/c1-3-43-32(41)23-14-17-38(18-15-23)26-10-8-24(9-11-26)35-30-28(19-33)34-20-29(37-30)39-16-4-5-25(21-39)36-31(40)22-6-12-27(42-2)13-7-22/h6-13,20,23,25H,3-5,14-18,21H2,1-2H3,(H,35,37)(H,36,40)/t25-/m1/s1
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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 US9656988 (2017)

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


(Homo sapiens (human))
BDBM309686
PNG
(Synthesis of (R)-3-(4-(1-cyclopentylpiperidin-4-yl...)
Show SMILES CN(C)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)C2CCN(CC2)C2CCCC2)n1
Show InChI InChI=1S/C29H42N8O2/c1-35(2)29(39)33-23-6-5-15-37(19-23)25-18-31-26(27(30)38)28(34-25)32-22-11-9-20(10-12-22)21-13-16-36(17-14-21)24-7-3-4-8-24/h9-12,18,21,23-24H,3-8,13-17,19H2,1-2H3,(H2,30,38)(H,32,34)(H,33,39)/t23-/m1/s1
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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 US9656988 (2017)

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


(Homo sapiens (human))
BDBM309696
PNG
(Synthesis of (R)-5-(3-(3,3-dimethylureido)piperidi...)
Show SMILES CN1CCC(CC1)c1ccc(Nc2nc(cnc2C(N)=O)N2CCC[C@H](C2)NC(=O)OC(C)(C)C)cc1
Show InChI InChI=1S/C27H39N7O3/c1-27(2,3)37-26(36)31-21-6-5-13-34(17-21)22-16-29-23(24(28)35)25(32-22)30-20-9-7-18(8-10-20)19-11-14-33(4)15-12-19/h7-10,16,19,21H,5-6,11-15,17H2,1-4H3,(H2,28,35)(H,30,32)(H,31,36)/t21-/m1/s1
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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 US9656988 (2017)

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


(Homo sapiens (human))
BDBM309699
PNG
(Synthesis of (R)-5-(3-(4-fluorobenzamido)piperidin...)
Show SMILES CN1CCC(CC1)c1ccc(Nc2nc(cnc2C(N)=O)N2CCC[C@H](C2)NC(=O)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C29H34FN7O2/c1-36-15-12-20(13-16-36)19-6-10-23(11-7-19)33-28-26(27(31)38)32-17-25(35-28)37-14-2-3-24(18-37)34-29(39)21-4-8-22(30)9-5-21/h4-11,17,20,24H,2-3,12-16,18H2,1H3,(H2,31,38)(H,33,35)(H,34,39)/t24-/m1/s1
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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 US9656988 (2017)

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


(Homo sapiens (human))
BDBM309706
PNG
(Synthesis of (R)-3-(4-(1-cyclobutylpiperidin-4-yl)...)
Show SMILES CN(C)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)C2CCN(CC2)C2CCC2)n1
Show InChI InChI=1S/C28H40N8O2/c1-34(2)28(38)32-22-5-4-14-36(18-22)24-17-30-25(26(29)37)27(33-24)31-21-10-8-19(9-11-21)20-12-15-35(16-13-20)23-6-3-7-23/h8-11,17,20,22-23H,3-7,12-16,18H2,1-2H3,(H2,29,37)(H,31,33)(H,32,38)/t22-/m1/s1
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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 US9656988 (2017)

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


(Homo sapiens (human))
BDBM309709
PNG
(Synthesis of (R)-5-(3-(3,3-dimethylureido)piperidi...)
Show SMILES CN(C)C(=O)N[C@@H]1CCCN(C1)c1cnc(C(N)=O)c(Nc2ccc(cc2)C2CCN(CC2)C2COC2)n1
Show InChI InChI=1S/C27H38N8O3/c1-33(2)27(37)31-21-4-3-11-35(15-21)23-14-29-24(25(28)36)26(32-23)30-20-7-5-18(6-8-20)19-9-12-34(13-10-19)22-16-38-17-22/h5-8,14,19,21-22H,3-4,9-13,15-17H2,1-2H3,(H2,28,36)(H,30,32)(H,31,37)/t21-/m1/s1
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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 US9656988 (2017)

More data for this
Ligand-Target Pair
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