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Found 1404 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase BTK'   
Target
(Institution)
LigandTarget
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))
BDBM206362
PNG
(US9260415, 113)
Show SMILES CN(CCOc1cccc(Nc2cc(cn(C)c2=O)-c2cc(F)cc(c2CO)-n2ncc3c4CCCCc4sc3c2=O)n1)C(=O)C=C
Show InChI InChI=1S/C34H33FN6O5S/c1-4-31(43)39(2)12-13-46-30-11-7-10-29(38-30)37-26-14-20(18-40(3)33(26)44)23-15-21(35)16-27(25(23)19-42)41-34(45)32-24(17-36-41)22-8-5-6-9-28(22)47-32/h4,7,10-11,14-18,42H,1,5-6,8-9,12-13,19H2,2-3H3,(H,37,38)
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US Patent
0.146n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
A generalized procedure for a standard biochemical Btk, Kinase Assay that can be used to test Formula I compounds is as follows. A master mix minus B...


US Patent US9260415 (2016)

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


(Homo sapiens (human))
BDBM206354
PNG
(US9260415, 105)
Show SMILES Cn1cc(cc(Nc2cccc(NCCNC(=O)C=C)n2)c1=O)-c1cc(F)cc(c1CO)-n1ncc2c3CCCCc3sc2c1=O
Show InChI InChI=1S/C33H32FN7O4S/c1-3-30(43)36-12-11-35-28-9-6-10-29(39-28)38-25-13-19(17-40(2)32(25)44)22-14-20(34)15-26(24(22)18-42)41-33(45)31-23(16-37-41)21-7-4-5-8-27(21)46-31/h3,6,9-10,13-17,42H,1,4-5,7-8,11-12,18H2,2H3,(H,36,43)(H2,35,38,39)
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0.248n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
A generalized procedure for a standard biochemical Btk, Kinase Assay that can be used to test Formula I compounds is as follows. A master mix minus B...


US Patent US9260415 (2016)

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


(Homo sapiens (human))
BDBM50245852
PNG
(CHEMBL458333 | N3-(2,6-dimethylphenyl)-1-(3-methox...)
Show SMILES COC(C)(C)CCn1nc(Nc2c(C)cccc2C)c2cnc(Nc3ccc(OCCN4CCCC4)cc3)nc12
Show InChI InChI=1S/C31H41N7O2/c1-22-9-8-10-23(2)27(22)34-28-26-21-32-30(35-29(26)38(36-28)18-15-31(3,4)39-5)33-24-11-13-25(14-12-24)40-20-19-37-16-6-7-17-37/h8-14,21H,6-7,15-20H2,1-5H3,(H,34,36)(H,32,33,35)
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PubMed
0.25n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of BTK (unknown origin)


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


(Homo sapiens (human))
BDBM206355
PNG
(US9260415, 106)
Show SMILES CC#CC(=O)NCCOc1cccc(Nc2cc(cn(C)c2=O)-c2cc(F)cc(c2CO)-n2ncc3c4CCCCc4sc3c2=O)n1
Show InChI InChI=1S/C34H31FN6O5S/c1-3-7-30(43)36-12-13-46-31-11-6-10-29(39-31)38-26-14-20(18-40(2)33(26)44)23-15-21(35)16-27(25(23)19-42)41-34(45)32-24(17-37-41)22-8-4-5-9-28(22)47-32/h6,10-11,14-18,42H,4-5,8-9,12-13,19H2,1-2H3,(H,36,43)(H,38,39)
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0.306n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
A generalized procedure for a standard biochemical Btk, Kinase Assay that can be used to test Formula I compounds is as follows. A master mix minus B...


US Patent US9260415 (2016)

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


(Homo sapiens (human))
BDBM206360
PNG
(US9260415, 111)
Show SMILES CN(CCNC(=O)C=C)c1cccc(Nc2cc(cn(C)c2=O)-c2cc(F)cc(c2CO)-n2ncc3c4CCCCc4sc3c2=O)n1
Show InChI InChI=1S/C34H34FN7O4S/c1-4-31(44)36-12-13-40(2)30-11-7-10-29(39-30)38-26-14-20(18-41(3)33(26)45)23-15-21(35)16-27(25(23)19-43)42-34(46)32-24(17-37-42)22-8-5-6-9-28(22)47-32/h4,7,10-11,14-18,43H,1,5-6,8-9,12-13,19H2,2-3H3,(H,36,44)(H,38,39)
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0.494n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
A generalized procedure for a standard biochemical Btk, Kinase Assay that can be used to test Formula I compounds is as follows. A master mix minus B...


US Patent US9260415 (2016)

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


(Homo sapiens (human))
BDBM206366
PNG
(US9260415, 117)
Show SMILES Cn1cc(cc(Nc2cccc(OCCNC(=O)C(=C)C#N)n2)c1=O)-c1cc(F)cc(c1CO)-n1ncc2c3CCCCc3sc2c1=O
Show InChI InChI=1S/C34H30FN7O5S/c1-19(15-36)32(44)37-10-11-47-30-9-5-8-29(40-30)39-26-12-20(17-41(2)33(26)45)23-13-21(35)14-27(25(23)18-43)42-34(46)31-24(16-38-42)22-6-3-4-7-28(22)48-31/h5,8-9,12-14,16-17,43H,1,3-4,6-7,10-11,18H2,2H3,(H,37,44)(H,39,40)
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0.576n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
A generalized procedure for a standard biochemical Btk, Kinase Assay that can be used to test Formula I compounds is as follows. A master mix minus B...


US Patent US9260415 (2016)

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


(Homo sapiens (human))
BDBM206356
PNG
(US9260415, 107)
Show SMILES C[C@@H](COc1cccc(Nc2cc(cn(C)c2=O)-c2ccnc(N3CCn4c5CC(C)(C)Cc5cc4C3=O)c2CO)n1)NC(=O)C=C
Show InChI InChI=1/C35H39N7O5/c1-6-30(44)37-21(2)20-47-31-9-7-8-29(39-31)38-26-14-23(18-40(5)33(26)45)24-10-11-36-32(25(24)19-43)42-13-12-41-27(34(42)46)15-22-16-35(3,4)17-28(22)41/h6-11,14-15,18,21,43H,1,12-13,16-17,19-20H2,2-5H3,(H,37,44)(H,38,39)/t21-/s2
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0.612n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
A generalized procedure for a standard biochemical Btk, Kinase Assay that can be used to test Formula I compounds is as follows. A master mix minus B...


US Patent US9260415 (2016)

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


(Homo sapiens (human))
BDBM206359
PNG
(US9260415, 110)
Show SMILES CN(CCNC(=O)C=C)c1cccc(Nc2cc(cn(C)c2=O)-c2ccnc(N3CCn4c5CC(C)(C)Cc5cc4C3=O)c2CO)n1
Show InChI InChI=1S/C35H40N8O4/c1-6-31(45)36-12-13-40(4)30-9-7-8-29(39-30)38-26-16-23(20-41(5)33(26)46)24-10-11-37-32(25(24)21-44)43-15-14-42-27(34(43)47)17-22-18-35(2,3)19-28(22)42/h6-11,16-17,20,44H,1,12-15,18-19,21H2,2-5H3,(H,36,45)(H,38,39)
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0.683n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
A generalized procedure for a standard biochemical Btk, Kinase Assay that can be used to test Formula I compounds is as follows. A master mix minus B...


US Patent US9260415 (2016)

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


(Homo sapiens (human))
BDBM206350
PNG
(US9260415, 101)
Show SMILES Cn1cc(cc(Nc2cccc(OCCNC(=O)C=C)n2)c1=O)-c1ccnc(N2CCn3c4CC(C)(C)Cc4cc3C2=O)c1CO
Show InChI InChI=1S/C34H37N7O5/c1-5-29(43)35-11-14-46-30-8-6-7-28(38-30)37-25-15-22(19-39(4)32(25)44)23-9-10-36-31(24(23)20-42)41-13-12-40-26(33(41)45)16-21-17-34(2,3)18-27(21)40/h5-10,15-16,19,42H,1,11-14,17-18,20H2,2-4H3,(H,35,43)(H,37,38)
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0.792n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
A generalized procedure for a standard biochemical Btk, Kinase Assay that can be used to test Formula I compounds is as follows. A master mix minus B...


US Patent US9260415 (2016)

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


(Homo sapiens (human))
BDBM206351
PNG
(US9260415, 102)
Show SMILES Cn1cc(cc(Nc2ccnc(n2)N2CCC(C2)C(=O)NCC#N)c1=O)-c1ccnc(N2CCn3c4CC(C)(C)Cc4cc3C2=O)c1CO
Show InChI InChI=1/C35H38N10O4/c1-35(2)16-22-15-27-33(49)45(13-12-44(27)28(22)17-35)30-25(20-46)24(4-8-37-30)23-14-26(32(48)42(3)18-23)40-29-5-9-39-34(41-29)43-11-6-21(19-43)31(47)38-10-7-36/h4-5,8-9,14-15,18,21,46H,6,10-13,16-17,19-20H2,1-3H3,(H,38,47)(H,39,40,41)
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0.864n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
A generalized procedure for a standard biochemical Btk, Kinase Assay that can be used to test Formula I compounds is as follows. A master mix minus B...


US Patent US9260415 (2016)

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


(Homo sapiens (human))
BDBM206363
PNG
(US9260415, 114)
Show SMILES Cn1cc(cc(Nc2cccc(n2)N2CCC[C@@H](C2)NC(=O)C=C)c1=O)-c1ccnc(N2CCn3c4CC(C)(C)Cc4cc3C2=O)c1CO
Show InChI InChI=1/C37H42N8O4/c1-5-33(47)39-25-8-7-13-43(21-25)32-10-6-9-31(41-32)40-28-16-24(20-42(4)35(28)48)26-11-12-38-34(27(26)22-46)45-15-14-44-29(36(45)49)17-23-18-37(2,3)19-30(23)44/h5-6,9-12,16-17,20,25,46H,1,7-8,13-15,18-19,21-22H2,2-4H3,(H,39,47)(H,40,41)/t25-/s2
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0.888n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
A generalized procedure for a standard biochemical Btk, Kinase Assay that can be used to test Formula I compounds is as follows. A master mix minus B...


US Patent US9260415 (2016)

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


(Homo sapiens (human))
BDBM206353
PNG
(US9260415, 104)
Show SMILES Cn1cc(cc(Nc2cccc(OCCNC(=O)C=C)n2)c1=O)-c1ccnc(c1CO)-n1ncc2cc(cc(F)c2c1=O)C(C)(C)C
Show InChI InChI=1S/C34H34FN7O5/c1-6-28(44)36-12-13-47-29-9-7-8-27(40-29)39-26-15-21(18-41(5)32(26)45)23-10-11-37-31(24(23)19-43)42-33(46)30-20(17-38-42)14-22(16-25(30)35)34(2,3)4/h6-11,14-18,43H,1,12-13,19H2,2-5H3,(H,36,44)(H,39,40)
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0.915n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
A generalized procedure for a standard biochemical Btk, Kinase Assay that can be used to test Formula I compounds is as follows. A master mix minus B...


US Patent US9260415 (2016)

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


(Homo sapiens (human))
BDBM206367
PNG
(US9260415, 118)
Show SMILES Cn1cc(cc(Nc2cccc(OCCNC(=O)C(=C)C#N)n2)c1=O)-c1ccnc(N2CCn3c4CC(C)(C)Cc4cc3C2=O)c1CO
Show InChI InChI=1S/C35H36N8O5/c1-21(18-36)32(45)38-10-13-48-30-7-5-6-29(40-30)39-26-14-23(19-41(4)33(26)46)24-8-9-37-31(25(24)20-44)43-12-11-42-27(34(43)47)15-22-16-35(2,3)17-28(22)42/h5-9,14-15,19,44H,1,10-13,16-17,20H2,2-4H3,(H,38,45)(H,39,40)
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1.70n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
A generalized procedure for a standard biochemical Btk, Kinase Assay that can be used to test Formula I compounds is as follows. A master mix minus B...


US Patent US9260415 (2016)

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


(Homo sapiens (human))
BDBM206361
PNG
(US9260415, 112)
Show SMILES CN(CCOc1cccc(Nc2cc(cn(C)c2=O)-c2ccnc(N3CCn4c5CC(C)(C)Cc5cc4C3=O)c2CO)n1)C(=O)C=C
Show InChI InChI=1S/C35H39N7O5/c1-6-31(44)39(4)14-15-47-30-9-7-8-29(38-30)37-26-16-23(20-40(5)33(26)45)24-10-11-36-32(25(24)21-43)42-13-12-41-27(34(42)46)17-22-18-35(2,3)19-28(22)41/h6-11,16-17,20,43H,1,12-15,18-19,21H2,2-5H3,(H,37,38)
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1.75n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
A generalized procedure for a standard biochemical Btk, Kinase Assay that can be used to test Formula I compounds is as follows. A master mix minus B...


US Patent US9260415 (2016)

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


(Homo sapiens (human))
BDBM206364
PNG
(US9260415, 115)
Show SMILES Cn1cc(cc(Nc2cccc(n2)N2CCC[C@@H](C2)NC(=O)C=C)c1=O)-c1cc(F)cc(c1CO)-n1ncc2c3CCCCc3sc2c1=O
Show InChI InChI=1/C36H36FN7O4S/c1-3-33(46)39-23-8-7-13-43(19-23)32-12-6-11-31(41-32)40-28-14-21(18-42(2)35(28)47)25-15-22(37)16-29(27(25)20-45)44-36(48)34-26(17-38-44)24-9-4-5-10-30(24)49-34/h3,6,11-12,14-18,23,45H,1,4-5,7-10,13,19-20H2,2H3,(H,39,46)(H,40,41)/t23-/s2
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2.16n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
A generalized procedure for a standard biochemical Btk, Kinase Assay that can be used to test Formula I compounds is as follows. A master mix minus B...


US Patent US9260415 (2016)

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


(Homo sapiens (human))
BDBM206365
PNG
(US9260415, 116)
Show SMILES CC#CC(=O)NCCOc1cccc(Nc2cc(cn(C)c2=O)-c2ccnc(N3CCn4c5CC(C)(C)Cc5cc4C3=O)c2CO)n1
Show InChI InChI=1S/C35H37N7O5/c1-5-7-30(44)36-12-15-47-31-9-6-8-29(39-31)38-26-16-23(20-40(4)33(26)45)24-10-11-37-32(25(24)21-43)42-14-13-41-27(34(42)46)17-22-18-35(2,3)19-28(22)41/h6,8-11,16-17,20,43H,12-15,18-19,21H2,1-4H3,(H,36,44)(H,38,39)
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2.37n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
A generalized procedure for a standard biochemical Btk, Kinase Assay that can be used to test Formula I compounds is as follows. A master mix minus B...


US Patent US9260415 (2016)

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


(Homo sapiens (human))
BDBM206357
PNG
(US9260415, 108)
Show SMILES C[C@@H](COc1cccc(Nc2cc(cn(C)c2=O)-c2cc(F)cc(c2CO)-n2ncc3c4CCCCc4sc3c2=O)n1)NC(=O)C=C
Show InChI InChI=1/C34H33FN6O5S/c1-4-30(43)37-19(2)18-46-31-11-7-10-29(39-31)38-26-12-20(16-40(3)33(26)44)23-13-21(35)14-27(25(23)17-42)41-34(45)32-24(15-36-41)22-8-5-6-9-28(22)47-32/h4,7,10-16,19,42H,1,5-6,8-9,17-18H2,2-3H3,(H,37,43)(H,38,39)/t19-/s2
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2.57n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
A generalized procedure for a standard biochemical Btk, Kinase Assay that can be used to test Formula I compounds is as follows. A master mix minus B...


US Patent US9260415 (2016)

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


(Homo sapiens (human))
BDBM206358
PNG
(US9260415, 109)
Show SMILES Cn1cc(cc(Nc2cccc(NCCNC(=O)C=C)n2)c1=O)-c1ccnc(N2CCn3c4CC(C)(C)Cc4cc3C2=O)c1CO
Show InChI InChI=1S/C34H38N8O4/c1-5-30(44)36-12-11-35-28-7-6-8-29(39-28)38-25-15-22(19-40(4)32(25)45)23-9-10-37-31(24(23)20-43)42-14-13-41-26(33(42)46)16-21-17-34(2,3)18-27(21)41/h5-10,15-16,19,43H,1,11-14,17-18,20H2,2-4H3,(H,36,44)(H2,35,38,39)
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US Patent
4.33n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
A generalized procedure for a standard biochemical Btk, Kinase Assay that can be used to test Formula I compounds is as follows. A master mix minus B...


US Patent US9260415 (2016)

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


(Homo sapiens (human))
BDBM209866
PNG
(PF-06651600)
Show SMILES C[C@H]1CC[C@H](CN1C(=O)C=C)Nc1ncnc2[nH]ccc12
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62.3n/an/an/an/an/an/an/an/a



Pfizer Worldwide R&D



Assay Description
Assay buffer was 20 mM HEPES, pH 7.5, 10 mM MgCl2, 0.01% BSA, 1 mM DTT, 0.0005% Tween 20, and 2% DMSO. Inactivation kinetic reactions were performed ...


ACS Chem Biol 11: 3442-3451 (2016)

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


(Homo sapiens (human))
BDBM50245904
PNG
(CHEMBL459044 | N-(2,6-dimethylphenyl)-4-(2-ethoxyp...)
Show SMILES CCOc1ccccc1Oc1nc(Nc2ccc(cc2)N2CCNCC2)ncc1C(=O)Nc1c(C)cccc1C
Show InChI InChI=1S/C31H34N6O3/c1-4-39-26-10-5-6-11-27(26)40-30-25(29(38)35-28-21(2)8-7-9-22(28)3)20-33-31(36-30)34-23-12-14-24(15-13-23)37-18-16-32-17-19-37/h5-15,20,32H,4,16-19H2,1-3H3,(H,35,38)(H,33,34,36)
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78n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of BTK (unknown origin)


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


(Homo sapiens (human))
BDBM50245853
PNG
(CHEMBL502156 | N3-(2,6-dimethylphenyl)-N6-(3-fluor...)
Show SMILES COC(C)(C)CCn1nc(Nc2c(C)cccc2C)c2cnc(Nc3ccc(OCCN4CCCC4)c(F)c3)nc12
Show InChI InChI=1S/C31H40FN7O2/c1-21-9-8-10-22(2)27(21)35-28-24-20-33-30(36-29(24)39(37-28)16-13-31(3,4)40-5)34-23-11-12-26(25(32)19-23)41-18-17-38-14-6-7-15-38/h8-12,19-20H,6-7,13-18H2,1-5H3,(H,35,37)(H,33,34,36)
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125n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of BTK (unknown origin)


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


(Homo sapiens (human))
BDBM50341519
PNG
((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...)
Show SMILES CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1
Show InChI InChI=1S/C26H31N7O2/c1-27-24-16-28-15-23(30-24)19-13-22(26(35)29-14-19)31-25(34)18-6-8-20(9-7-18)33-12-4-5-21(33)17-32-10-2-3-11-32/h6-9,13-16,21H,2-5,10-12,17H2,1H3,(H,27,30)(H,29,35)(H,31,34)/t21-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of BTK


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Tyrosine-protein kinase BTK


(Homo sapiens (human))
BDBM122415
PNG
(US8729078, I-25)
Show SMILES CN1CCn2nc(Nc3nn(cc3C(N)=O)-c3cccc(c3CO)-n3ncc4cc(cc(F)c4c3=O)C(C)(C)C)cc2C1
Show InChI InChI=1S/C30H32FN9O3/c1-30(2,3)18-10-17-13-33-40(29(43)26(17)22(31)11-18)24-7-5-6-23(21(24)16-41)39-15-20(27(32)42)28(36-39)34-25-12-19-14-37(4)8-9-38(19)35-25/h5-7,10-13,15,41H,8-9,14,16H2,1-4H3,(H2,32,42)(H,34,35,36)
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n/an/a 0.0900n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a...


US Patent US8729078 (2014)

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


(Homo sapiens (human))
BDBM122417
PNG
(US8729078, I-27)
Show SMILES CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(c3CO)-n3cc(C(N)=O)c(Nc4ccc(cc4)S(C)(=O)=O)n3)c2=O)c1
Show InChI InChI=1S/C30H29FN6O5S/c1-30(2,3)18-12-17-14-33-37(29(40)26(17)23(31)13-18)25-7-5-6-24(22(25)16-38)36-15-21(27(32)39)28(35-36)34-19-8-10-20(11-9-19)43(4,41)42/h5-15,38H,16H2,1-4H3,(H2,32,39)(H,34,35)
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n/an/a 0.0900n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a...


US Patent US8729078 (2014)

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


(Homo sapiens (human))
BDBM122442
PNG
(US8729078, I-53)
Show SMILES CC(=O)c1ccc(Nc2nn(cc2C(N)=O)-c2cccc(c2CO)-n2ncc3cc(ccc3c2=O)C(C)(C)C)cc1
Show InChI InChI=1S/C31H30N6O4/c1-18(39)19-8-11-22(12-9-19)34-29-24(28(32)40)16-36(35-29)26-6-5-7-27(25(26)17-38)37-30(41)23-13-10-21(31(2,3)4)14-20(23)15-33-37/h5-16,38H,17H2,1-4H3,(H2,32,40)(H,34,35)
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n/an/a 0.120n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a...


US Patent US8729078 (2014)

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


(Homo sapiens (human))
BDBM122428
PNG
(US8729078, I-38)
Show SMILES CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(c3CO)-n3cc(C(N)=O)c(Nc4ccc(cn4)S(C)(=O)=O)n3)c2=O)c1
Show InChI InChI=1S/C29H28FN7O5S/c1-29(2,3)17-10-16-12-33-37(28(40)25(16)21(30)11-17)23-7-5-6-22(20(23)15-38)36-14-19(26(31)39)27(35-36)34-24-9-8-18(13-32-24)43(4,41)42/h5-14,38H,15H2,1-4H3,(H2,31,39)(H,32,34,35)
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n/an/a 0.170n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a...


US Patent US8729078 (2014)

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


(Homo sapiens (human))
BDBM122429
PNG
(US8729078, I-39)
Show SMILES CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(c3CO)-n3cc(C(N)=O)c(Nc4ccc(cn4)C#N)n3)c2=O)c1
Show InChI InChI=1S/C29H25FN8O3/c1-29(2,3)18-9-17-13-34-38(28(41)25(17)21(30)10-18)23-6-4-5-22(20(23)15-39)37-14-19(26(32)40)27(36-37)35-24-8-7-16(11-31)12-33-24/h4-10,12-14,39H,15H2,1-3H3,(H2,32,40)(H,33,35,36)
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n/an/a 0.180n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a...


US Patent US8729078 (2014)

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


(Homo sapiens (human))
BDBM122414
PNG
(US8729078, I-24)
Show SMILES CC(C)(CN1CCC1)Oc1ccc(Nc2nn(cc2C(N)=O)-c2cccc(c2CO)-n2ncc3cc(cc(F)c3c2=O)C(C)(C)C)nc1
Show InChI InChI=1S/C35H39FN8O4/c1-34(2,3)22-14-21-16-39-44(33(47)30(21)26(36)15-22)28-9-6-8-27(25(28)19-45)43-18-24(31(37)46)32(41-43)40-29-11-10-23(17-38-29)48-35(4,5)20-42-12-7-13-42/h6,8-11,14-18,45H,7,12-13,19-20H2,1-5H3,(H2,37,46)(H,38,40,41)
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n/an/a 0.180n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a...


US Patent US8729078 (2014)

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


(Homo sapiens (human))
BDBM122418
PNG
(US8729078, I-28)
Show SMILES Cn1ccc(Nc2nn(cc2C(N)=O)-c2cccc(c2CO)-n2ncc3cc(cc(F)c3c2=O)C(C)(C)C)n1
Show InChI InChI=1S/C27H27FN8O3/c1-27(2,3)16-10-15-12-30-36(26(39)23(15)19(28)11-16)21-7-5-6-20(18(21)14-37)35-13-17(24(29)38)25(33-35)31-22-8-9-34(4)32-22/h5-13,37H,14H2,1-4H3,(H2,29,38)(H,31,32,33)
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n/an/a 0.220n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a...


US Patent US8729078 (2014)

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


(Homo sapiens (human))
BDBM122423
PNG
(US8729078, I-33)
Show SMILES Cc1ccc(Nc2nn(cc2C(N)=O)-c2cccc(c2CO)-n2ncc3cc(cc(F)c3c2=O)C(C)(C)C)nc1
Show InChI InChI=1S/C29H28FN7O3/c1-16-8-9-24(32-12-16)34-27-19(26(31)39)14-36(35-27)22-6-5-7-23(20(22)15-38)37-28(40)25-17(13-33-37)10-18(11-21(25)30)29(2,3)4/h5-14,38H,15H2,1-4H3,(H2,31,39)(H,32,34,35)
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n/an/a 0.240n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a...


US Patent US8729078 (2014)

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


(Homo sapiens (human))
BDBM122420
PNG
(US8729078, I-30)
Show SMILES CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(c3CO)-n3cc(C(N)=O)c(Nc4ccc(F)cn4)n3)c2=O)c1
Show InChI InChI=1S/C28H25F2N7O3/c1-28(2,3)16-9-15-11-33-37(27(40)24(15)20(30)10-16)22-6-4-5-21(19(22)14-38)36-13-18(25(31)39)26(35-36)34-23-8-7-17(29)12-32-23/h4-13,38H,14H2,1-3H3,(H2,31,39)(H,32,34,35)
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n/an/a 0.240n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a...


US Patent US8729078 (2014)

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


(Homo sapiens (human))
BDBM122413
PNG
(US8729078, I-23)
Show SMILES CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(c3CO)-n3cc(C(N)=O)c(Nc4ccc(Cl)cn4)n3)c2=O)c1
Show InChI InChI=1S/C28H25ClFN7O3/c1-28(2,3)16-9-15-11-33-37(27(40)24(15)20(30)10-16)22-6-4-5-21(19(22)14-38)36-13-18(25(31)39)26(35-36)34-23-8-7-17(29)12-32-23/h4-13,38H,14H2,1-3H3,(H2,31,39)(H,32,34,35)
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n/an/a 0.290n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a...


US Patent US8729078 (2014)

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


(Homo sapiens (human))
BDBM122421
PNG
(US8729078, I-31)
Show SMILES Cc1cc(Nc2nn(cc2C(N)=O)-c2cccc(c2CO)-n2ncc3cc(cc(F)c3c2=O)C(C)(C)C)nn1C
Show InChI InChI=1S/C28H29FN8O3/c1-15-9-23(33-35(15)5)32-26-18(25(30)39)13-36(34-26)21-7-6-8-22(19(21)14-38)37-27(40)24-16(12-31-37)10-17(11-20(24)29)28(2,3)4/h6-13,38H,14H2,1-5H3,(H2,30,39)(H,32,33,34)
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n/an/a 0.290n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a...


US Patent US8729078 (2014)

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


(Homo sapiens (human))
BDBM50388189
PNG
(CHEMBL2057918)
Show SMILES CN1CCN(CC1)c1ccc(Nc2cc(cn(C)c2=O)-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)nc1
Show InChI InChI=1S/C35H35FN6O3/c1-39-12-14-41(15-13-39)26-8-9-32(37-19-26)38-30-18-25(20-40(2)34(30)44)27-4-3-5-31(28(27)21-43)42-11-10-23-16-24(22-6-7-22)17-29(36)33(23)35(42)45/h3-5,8-11,16-20,22,43H,6-7,12-15,21H2,1-2H3,(H,37,38)
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n/an/a 0.300n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Competitive inhibition of BTK by TR-FRET based competitive assay


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


(Homo sapiens (human))
BDBM143179
PNG
(US8940744, 4 | US9266895, 4)
Show SMILES CN1CCN(CC1)C(C)(C)C=C([N+]#[C-])C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12
Show InChI InChI=1/C34H38FN9O2/c1-34(2,43-17-15-41(4)16-18-43)20-28(37-3)33(45)42-14-8-9-23(21-42)44-32-29(31(36)38-22-39-32)30(40-44)26-13-12-25(19-27(26)35)46-24-10-6-5-7-11-24/h5-7,10-13,19-20,22-23H,8-9,14-18,21H2,1-2,4H3,(H2,36,38,39)/b28-20+/t23-/s2
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n/an/a 0.300n/an/an/an/an/an/a



Principia Biopharma Inc.

US Patent


Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of the pre...


US Patent US9266895 (2016)

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


(Homo sapiens (human))
BDBM143179
PNG
(US8940744, 4 | US9266895, 4)
Show SMILES CN1CCN(CC1)C(C)(C)C=C([N+]#[C-])C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12
Show InChI InChI=1/C34H38FN9O2/c1-34(2,43-17-15-41(4)16-18-43)20-28(37-3)33(45)42-14-8-9-23(21-42)44-32-29(31(36)38-22-39-32)30(40-44)26-13-12-25(19-27(26)35)46-24-10-6-5-7-11-24/h5-7,10-13,19-20,22-23H,8-9,14-18,21H2,1-2,4H3,(H2,36,38,39)/b28-20+/t23-/s2
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n/an/a 0.300n/an/an/an/an/an/a



Principia Biopharma Inc.

US Patent


Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of the pre...


US Patent US8940744 (2015)

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


(Homo sapiens (human))
BDBM191606
PNG
(US9181263, 23)
Show SMILES Nc1ncnc2n(CCNC(=O)C=C)nc(-c3ccc(Oc4ccccc4)cc3)c12
Show InChI InChI=1S/C22H20N6O2/c1-2-18(29)24-12-13-28-22-19(21(23)25-14-26-22)20(27-28)15-8-10-17(11-9-15)30-16-6-4-3-5-7-16/h2-11,14H,1,12-13H2,(H,24,29)(H2,23,25,26)
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n/an/a 0.320n/an/an/an/an/an/a



PHARMACYCLICS LLC

US Patent


Assay Description
IC50s were determined using the in vitro HotSpot kinase assay (purified enzymes, 33P-ATP, an appropriate substrate and 1 μM ATP.). For enzyme in...


US Patent US9181263 (2015)

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


(Homo sapiens (human))
BDBM122416
PNG
(US8729078, I-26)
Show SMILES CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(c3CO)-n3cc(C(N)=O)c(Nc4ccccn4)n3)c2=O)c1
Show InChI InChI=1S/C28H26FN7O3/c1-28(2,3)17-11-16-13-32-36(27(39)24(16)20(29)12-17)22-8-6-7-21(19(22)15-37)35-14-18(25(30)38)26(34-35)33-23-9-4-5-10-31-23/h4-14,37H,15H2,1-3H3,(H2,30,38)(H,31,33,34)
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n/an/a 0.360n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a...


US Patent US8729078 (2014)

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


(Homo sapiens (human))
BDBM122444
PNG
(US8729078, I-55)
Show SMILES CN(C)Cc1ccc(Nc2nn(cc2C(N)=O)-c2cccc(c2CO)-n2ncc3cc(ccc3c2=O)C(C)(C)C)nc1
Show InChI InChI=1S/C31H34N8O3/c1-31(2,3)21-10-11-22-20(13-21)15-34-39(30(22)42)26-8-6-7-25(24(26)18-40)38-17-23(28(32)41)29(36-38)35-27-12-9-19(14-33-27)16-37(4)5/h6-15,17,40H,16,18H2,1-5H3,(H2,32,41)(H,33,35,36)
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n/an/a 0.390n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a...


US Patent US8729078 (2014)

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


(Homo sapiens (human))
BDBM191605
PNG
(US9181263, 14)
Show SMILES Nc1ncnc2n(C[C@@H]3CCCN3C(=O)C=C)nc(-c3ccc(Oc4ccccc4)cc3)c12
Show InChI InChI=1/C25H24N6O2/c1-2-21(32)30-14-6-7-18(30)15-31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)/t18-/s2
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n/an/a 0.390n/an/an/an/an/an/a



PHARMACYCLICS LLC

US Patent


Assay Description
IC50s were determined using the in vitro HotSpot kinase assay (purified enzymes, 33P-ATP, an appropriate substrate and 1 μM ATP.). For enzyme in...


US Patent US9181263 (2015)

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


(Homo sapiens (human))
BDBM197250
PNG
(US9090621, 85A)
Show SMILES CCNC(C)(C)C=C(C#N)C(=O)N1CCC[C@@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12
Show InChI InChI=1/C31H33FN8O2/c1-4-37-31(2,3)16-20(17-33)30(41)39-14-8-9-21(39)18-40-29-26(28(34)35-19-36-29)27(38-40)24-13-12-23(15-25(24)32)42-22-10-6-5-7-11-22/h5-7,10-13,15-16,19,21,37H,4,8-9,14,18H2,1-3H3,(H2,34,35,36)/b20-16+/t21-/s2
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n/an/a 0.400n/an/an/an/an/an/a



Principia Biopharma Inc.

US Patent


Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...


US Patent US9090621 (2015)

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


(Homo sapiens (human))
BDBM50126732
PNG
(2-(2,6-Dichloro-phenylamino)-7-(3-diethylamino-pro...)
Show SMILES CCN(CC)CC=Cc1[nH]c(=O)c2c3n(C)c(Nc4c(Cl)cccc4Cl)nc3ccc2c1C
Show InChI InChI=1S/C25H27Cl2N5O/c1-5-32(6-2)14-8-11-19-15(3)16-12-13-20-23(21(16)24(33)28-19)31(4)25(29-20)30-22-17(26)9-7-10-18(22)27/h7-13H,5-6,14H2,1-4H3,(H,28,33)(H,29,30)
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n/an/a 0.400n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Brutons tyrosine kinase


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


(Homo sapiens (human))
BDBM143181
PNG
(US8940744, 6 | US9266895, 6)
Show SMILES CC(C)(C=C([N+]#[C-])C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12)N1CCNCC1
Show InChI InChI=1/C33H36FN9O2/c1-33(2,42-16-13-37-14-17-42)19-27(36-3)32(44)41-15-7-8-22(20-41)43-31-28(30(35)38-21-39-31)29(40-43)25-12-11-24(18-26(25)34)45-23-9-5-4-6-10-23/h4-6,9-12,18-19,21-22,37H,7-8,13-17,20H2,1-2H3,(H2,35,38,39)/b27-19+/t22-/s2
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n/an/a 0.400n/an/an/an/an/an/a



Principia Biopharma Inc.

US Patent


Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of the pre...


US Patent US8940744 (2015)

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


(Homo sapiens (human))
BDBM143181
PNG
(US8940744, 6 | US9266895, 6)
Show SMILES CC(C)(C=C([N+]#[C-])C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12)N1CCNCC1
Show InChI InChI=1/C33H36FN9O2/c1-33(2,42-16-13-37-14-17-42)19-27(36-3)32(44)41-15-7-8-22(20-41)43-31-28(30(35)38-21-39-31)29(40-43)25-12-11-24(18-26(25)34)45-23-9-5-4-6-10-23/h4-6,9-12,18-19,21-22,37H,7-8,13-17,20H2,1-2H3,(H2,35,38,39)/b27-19+/t22-/s2
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n/an/a 0.400n/an/an/an/an/an/a



Principia Biopharma Inc.

US Patent


Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of the pre...


US Patent US9266895 (2016)

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


(Homo sapiens (human))
BDBM197248
PNG
(US9090621, 84B)
Show SMILES CN(C)C(C)(C)C=C(C#N)C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12
Show InChI InChI=1/C31H33FN8O2/c1-31(2,38(3)4)16-20(17-33)30(41)39-14-8-9-21(39)18-40-29-26(28(34)35-19-36-29)27(37-40)24-13-12-23(15-25(24)32)42-22-10-6-5-7-11-22/h5-7,10-13,15-16,19,21H,8-9,14,18H2,1-4H3,(H2,34,35,36)/b20-16+/t21-/s2
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n/an/a 0.400n/an/an/an/an/an/a



Principia Biopharma Inc.

US Patent


Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...


US Patent US9090621 (2015)

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


(Homo sapiens (human))
BDBM122419
PNG
(US8729078, I-29)
Show SMILES CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(c3CO)-n3cc(C(N)=O)c(Nc4cnccn4)n3)c2=O)c1
Show InChI InChI=1S/C27H25FN8O3/c1-27(2,3)16-9-15-11-32-36(26(39)23(15)19(28)10-16)21-6-4-5-20(18(21)14-37)35-13-17(24(29)38)25(34-35)33-22-12-30-7-8-31-22/h4-13,37H,14H2,1-3H3,(H2,29,38)(H,31,33,34)
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n/an/a 0.430n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Plates assayed are 96-well polypropylene (Greiner) and 96-well 1.2 μm hydrophilic PVDF filter plates (Millipore). Concentrations reported here a...


US Patent US8729078 (2014)

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


(Homo sapiens (human))
BDBM50357312
PNG
(IBRUTINIB | US9108973, Ref 1 | US9181263, 1)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C
Show InChI InChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)/t18-/m1/s1
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n/an/a 0.5n/an/an/an/an/an/a



Covalution Pharma BV

Curated by ChEMBL


Assay Description
Inhibition of recombinant Btk after 60 mins


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


(Homo sapiens (human))
BDBM1774
PNG
(US8476284, 13)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@H]1CCCN(C1)C(=O)C=C
Show InChI InChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)/t18-/m0/s1
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n/an/a<0.5n/an/an/an/a7.4n/a



Pharmacyclics, Inc.

US Patent


Assay Description
Btk kinase activity was determined using a time-resolved fluorescence resonance energy transfer (TR-FRET) methodology.


US Patent US8476284 (2013)

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


(Homo sapiens (human))
BDBM1773
PNG
(US8476284, 4 | US8497277, 13 | US8497277, 4 | US91...)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCCN(C1)C(=O)C=C
Show InChI InChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)
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n/an/a<0.5n/an/an/an/a7.4n/a



Pharmacyclics, Inc.

US Patent


Assay Description
Btk kinase activity was determined using a time-resolved fluorescence resonance energy transfer (TR-FRET) methodology.


US Patent US8497277 (2013)

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


(Homo sapiens (human))
BDBM50357312
PNG
(IBRUTINIB | US9108973, Ref 1 | US9181263, 1)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C
Show InChI InChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)/t18-/m1/s1
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n/an/a 0.5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human full-length BTK expressed in Sf9 cells using FAM-Srctide peptide as substrate after 60 mins by TR-FRET Assay


Citation and Details
More data for this
Ligand-Target Pair
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