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Patent code US8940893

Compile Data Set for Download or QSAR
Found 17 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))		BDBM143328
PNG
(US8940893, 13)
Show SMILES CC#CC(=O)N1CC[C@]2(C[C@@H](C2)n2nc(-c3ccc(Oc4ccccc4)cn3)c3c(N)ncnc23)C1 |r,wU:10.12,wD:8.8,(-10.43,-5.25,;-8.89,-5.25,;-7.35,-5.25,;-5.81,-5.25,;-5.04,-6.58,;-5.04,-3.92,;-5.52,-2.45,;-4.27,-1.55,;-3.03,-2.45,;-1.69,-3.22,;-.92,-1.89,;-2.26,-1.12,;.57,-1.49,;1.19,-.08,;2.73,-.08,;3.5,1.25,;2.73,2.58,;3.5,3.92,;5.04,3.92,;5.81,5.25,;7.35,5.25,;8.12,3.92,;9.66,3.92,;10.43,5.25,;9.66,6.58,;8.12,6.58,;5.81,2.58,;5.04,1.25,;3.04,-1.75,;4.38,-2.52,;5.71,-1.75,;4.38,-4.06,;3.04,-4.83,;1.71,-4.06,;1.71,-2.52,;-3.5,-3.92,)|
Show InChI InChI=1S/C27H25N7O2/c1-2-6-22(35)33-12-11-27(16-33)13-18(14-27)34-26-23(25(28)30-17-31-26)24(32-34)21-10-9-20(15-29-21)36-19-7-4-3-5-8-19/h3-5,7-10,15,17-18H,11-14,16H2,1H3,(H2,28,30,31)/t18-,27+
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n/an/a 0.740n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
An HTRF assay (Cisbio KinEASE-TK cat #62TKOPEC) was performed to quantitate the ability of test compounds to inhibit BTK mediated phosphorylation of ...

US Patent US8940893 (2015)


BindingDB Entry DOI: 10.7270/Q2PV6J3P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM143318
PNG
(US8940893, 3)
Show SMILES CC#CC(=O)N1CC2(CC(C2)n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc23)C1
Show InChI InChI=1S/C27H24N6O2/c1-2-6-22(34)32-15-27(16-32)13-19(14-27)33-26-23(25(28)29-17-30-26)24(31-33)18-9-11-21(12-10-18)35-20-7-4-3-5-8-20/h3-5,7-12,17,19H,13-16H2,1H3,(H2,28,29,30)
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n/an/a 0.830n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
An HTRF assay (Cisbio KinEASE-TK cat #62TKOPEC) was performed to quantitate the ability of test compounds to inhibit BTK mediated phosphorylation of ...

US Patent US8940893 (2015)


BindingDB Entry DOI: 10.7270/Q2PV6J3P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM143321
PNG
(US8940893, 6)
Show SMILES Cn1c(Cc2ccccc2)ncc(-c2ccc(-c3nn(C4CC5(C4)CN(C5)C(=O)C=C)c4ncnc(N)c34)c(F)c2)c1=O
Show InChI InChI=1S/C32H29FN8O2/c1-3-26(42)40-16-32(17-40)13-21(14-32)41-30-27(29(34)36-18-37-30)28(38-41)22-10-9-20(12-24(22)33)23-15-35-25(39(2)31(23)43)11-19-7-5-4-6-8-19/h3-10,12,15,18,21H,1,11,13-14,16-17H2,2H3,(H2,34,36,37)
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n/an/a 0.850n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
An HTRF assay (Cisbio KinEASE-TK cat #62TKOPEC) was performed to quantitate the ability of test compounds to inhibit BTK mediated phosphorylation of ...

US Patent US8940893 (2015)


BindingDB Entry DOI: 10.7270/Q2PV6J3P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM143320
PNG
(US8940893, 5)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)C1CC2(C1)CCN(C2)C(=O)C=C |(3.23,-2.27,;1.69,-2.27,;.92,-3.61,;-.62,-3.61,;-1.39,-2.27,;-.62,-.94,;-1.1,.53,;.15,1.43,;1.39,.53,;2.72,1.3,;2.72,2.84,;4.06,3.61,;5.39,2.84,;6.73,3.61,;8.06,2.84,;9.39,3.61,;10.73,2.84,;10.73,1.3,;9.39,.53,;8.06,1.3,;5.39,1.3,;4.06,.53,;.92,-.94,;-2.59,.92,;-3.36,2.26,;-4.69,1.49,;-3.92,.15,;-5.6,2.73,;-7.06,2.26,;-7.06,.72,;-5.6,.24,;-8.15,-.37,;-7.75,-1.86,;-9.64,.03,;-10.73,-1.06,)|
Show InChI InChI=1S/C27H26N6O2/c1-2-22(34)32-13-12-27(16-32)14-19(15-27)33-26-23(25(28)29-17-30-26)24(31-33)18-8-10-21(11-9-18)35-20-6-4-3-5-7-20/h2-11,17,19H,1,12-16H2,(H2,28,29,30)
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n/an/a 0.870n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
An HTRF assay (Cisbio KinEASE-TK cat #62TKOPEC) was performed to quantitate the ability of test compounds to inhibit BTK mediated phosphorylation of ...

US Patent US8940893 (2015)


BindingDB Entry DOI: 10.7270/Q2PV6J3P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM143316
PNG
(US8940893, 1)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)C1CC2(C1)CN(C2)C(=O)C=C
Show InChI InChI=1S/C26H24N6O2/c1-2-21(33)31-14-26(15-31)12-18(13-26)32-25-22(24(27)28-16-29-25)23(30-32)17-8-10-20(11-9-17)34-19-6-4-3-5-7-19/h2-11,16,18H,1,12-15H2,(H2,27,28,29)
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n/an/a 1n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
An HTRF assay (Cisbio KinEASE-TK cat #62TKOPEC) was performed to quantitate the ability of test compounds to inhibit BTK mediated phosphorylation of ...

US Patent US8940893 (2015)


BindingDB Entry DOI: 10.7270/Q2PV6J3P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM143327
PNG
(US8940893, 12)
Show SMILES CC#CC(=O)N1CC2(CC(C2)n2nc(-c3ccc(Oc4ccccc4)cn3)c3c(N)ncnc23)C1
Show InChI InChI=1S/C26H23N7O2/c1-2-6-21(34)32-14-26(15-32)11-17(12-26)33-25-22(24(27)29-16-30-25)23(31-33)20-10-9-19(13-28-20)35-18-7-4-3-5-8-18/h3-5,7-10,13,16-17H,11-12,14-15H2,1H3,(H2,27,29,30)
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n/an/a 1n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
An HTRF assay (Cisbio KinEASE-TK cat #62TKOPEC) was performed to quantitate the ability of test compounds to inhibit BTK mediated phosphorylation of ...

US Patent US8940893 (2015)


BindingDB Entry DOI: 10.7270/Q2PV6J3P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM143322
PNG
(US8940893, 7)
Show SMILES CC#CC(=O)N1CC2(CC(C2)n2nc(-c3ccc(Oc4ccccc4)nc3)c3c(N)ncnc23)C1
Show InChI InChI=1S/C26H23N7O2/c1-2-6-21(34)32-14-26(15-32)11-18(12-26)33-25-22(24(27)29-16-30-25)23(31-33)17-9-10-20(28-13-17)35-19-7-4-3-5-8-19/h3-5,7-10,13,16,18H,11-12,14-15H2,1H3,(H2,27,29,30)
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n/an/a 1.10n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
An HTRF assay (Cisbio KinEASE-TK cat #62TKOPEC) was performed to quantitate the ability of test compounds to inhibit BTK mediated phosphorylation of ...

US Patent US8940893 (2015)


BindingDB Entry DOI: 10.7270/Q2PV6J3P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM143326
PNG
(US8940893, 11)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cn3)c12)C1CC2(C1)CN(C2)C(=O)C=C
Show InChI InChI=1S/C25H23N7O2/c1-2-20(33)31-13-25(14-31)10-16(11-25)32-24-21(23(26)28-15-29-24)22(30-32)19-9-8-18(12-27-19)34-17-6-4-3-5-7-17/h2-9,12,15-16H,1,10-11,13-14H2,(H2,26,28,29)
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n/an/a 1.60n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
An HTRF assay (Cisbio KinEASE-TK cat #62TKOPEC) was performed to quantitate the ability of test compounds to inhibit BTK mediated phosphorylation of ...

US Patent US8940893 (2015)


BindingDB Entry DOI: 10.7270/Q2PV6J3P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM143317
PNG
(US8940893, 2)
Show SMILES CN(C)C\C=C\C(=O)N1CC2(CC(C2)n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc23)C1
Show InChI InChI=1S/C29H31N7O2/c1-34(2)14-6-9-24(37)35-17-29(18-35)15-21(16-29)36-28-25(27(30)31-19-32-28)26(33-36)20-10-12-23(13-11-20)38-22-7-4-3-5-8-22/h3-13,19,21H,14-18H2,1-2H3,(H2,30,31,32)/b9-6+
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n/an/a 1.80n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
An HTRF assay (Cisbio KinEASE-TK cat #62TKOPEC) was performed to quantitate the ability of test compounds to inhibit BTK mediated phosphorylation of ...

US Patent US8940893 (2015)


BindingDB Entry DOI: 10.7270/Q2PV6J3P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM143323
PNG
(US8940893, 8)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)nc3)c12)C1CC2(C1)CN(C2)C(=O)C=C
Show InChI InChI=1S/C25H23N7O2/c1-2-20(33)31-13-25(14-31)10-17(11-25)32-24-21(23(26)28-15-29-24)22(30-32)16-8-9-19(27-12-16)34-18-6-4-3-5-7-18/h2-9,12,15,17H,1,10-11,13-14H2,(H2,26,28,29)
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n/an/a 2.40n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
An HTRF assay (Cisbio KinEASE-TK cat #62TKOPEC) was performed to quantitate the ability of test compounds to inhibit BTK mediated phosphorylation of ...

US Patent US8940893 (2015)


BindingDB Entry DOI: 10.7270/Q2PV6J3P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM143329
PNG
(US8940893, 14)
Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3ccc(Oc4ccccc4)cn3)c3c(N)ncnc23)C1 |r,wU:8.8,10.12,(-10.43,-5.25,;-8.89,-5.25,;-7.35,-5.25,;-5.81,-5.25,;-5.04,-6.58,;-5.04,-3.92,;-5.52,-2.45,;-4.27,-1.55,;-3.03,-2.45,;-1.69,-3.22,;-.92,-1.89,;-2.26,-1.12,;.57,-1.49,;1.19,-.08,;2.73,-.08,;3.5,1.25,;2.73,2.58,;3.5,3.92,;5.04,3.92,;5.81,5.25,;7.35,5.25,;8.12,3.92,;9.66,3.92,;10.43,5.25,;9.66,6.58,;8.12,6.58,;5.81,2.58,;5.04,1.25,;3.04,-1.75,;4.38,-2.52,;5.71,-1.75,;4.38,-4.06,;3.04,-4.83,;1.71,-4.06,;1.71,-2.52,;-3.5,-3.92,)|
Show InChI InChI=1S/C27H25N7O2/c1-2-6-22(35)33-12-11-27(16-33)13-18(14-27)34-26-23(25(28)30-17-31-26)24(32-34)21-10-9-20(15-29-21)36-19-7-4-3-5-8-19/h3-5,7-10,15,17-18H,11-14,16H2,1H3,(H2,28,30,31)/t18-,27-
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n/an/a 4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
An HTRF assay (Cisbio KinEASE-TK cat #62TKOPEC) was performed to quantitate the ability of test compounds to inhibit BTK mediated phosphorylation of ...

US Patent US8940893 (2015)


BindingDB Entry DOI: 10.7270/Q2PV6J3P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM143332
PNG
(US8940893, 17)
Show SMILES CN(C)C\C=C\C(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3ccc(Oc4ccccc4)cn3)c3c(N)ncnc23)C1 |r,wU:11.11,13.15,(-11.2,-6.58,;-9.66,-6.58,;-8.89,-7.92,;-8.89,-5.25,;-7.35,-5.25,;-6.58,-3.92,;-5.04,-3.92,;-4.27,-5.25,;-4.27,-2.58,;-4.75,-1.12,;-3.5,-.21,;-2.26,-1.12,;-.92,-1.89,;-.15,-.56,;-1.49,.21,;1.34,-.16,;1.96,1.25,;3.5,1.25,;4.27,2.58,;3.5,3.92,;4.27,5.25,;5.81,5.25,;6.58,6.58,;8.12,6.58,;8.89,5.25,;10.43,5.25,;11.2,6.58,;10.43,7.92,;8.89,7.92,;6.58,3.92,;5.81,2.58,;3.81,-.42,;5.15,-1.19,;6.48,-.42,;5.15,-2.73,;3.81,-3.5,;2.48,-2.73,;2.48,-1.19,;-2.73,-2.58,)|
Show InChI InChI=1S/C29H32N8O2/c1-35(2)13-6-9-24(38)36-14-12-29(18-36)15-20(16-29)37-28-25(27(30)32-19-33-28)26(34-37)23-11-10-22(17-31-23)39-21-7-4-3-5-8-21/h3-11,17,19-20H,12-16,18H2,1-2H3,(H2,30,32,33)/b9-6+/t20-,29-
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n/an/a 7.10n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
An HTRF assay (Cisbio KinEASE-TK cat #62TKOPEC) was performed to quantitate the ability of test compounds to inhibit BTK mediated phosphorylation of ...

US Patent US8940893 (2015)


BindingDB Entry DOI: 10.7270/Q2PV6J3P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM143331
PNG
(US8940893, 16)
Show SMILES CN(C)C\C=C\C(=O)N1CC[C@]2(C[C@@H](C2)n2nc(-c3ccc(Oc4ccccc4)cn3)c3c(N)ncnc23)C1 |r,wU:13.15,wD:11.11,(-11.2,-6.58,;-9.66,-6.58,;-8.89,-7.92,;-8.89,-5.25,;-7.35,-5.25,;-6.58,-3.92,;-5.04,-3.92,;-4.27,-5.25,;-4.27,-2.58,;-4.75,-1.12,;-3.5,-.21,;-2.26,-1.12,;-.92,-1.89,;-.15,-.56,;-1.49,.21,;1.34,-.16,;1.96,1.25,;3.5,1.25,;4.27,2.58,;3.5,3.92,;4.27,5.25,;5.81,5.25,;6.58,6.58,;8.12,6.58,;8.89,5.25,;10.43,5.25,;11.2,6.58,;10.43,7.92,;8.89,7.92,;6.58,3.92,;5.81,2.58,;3.81,-.42,;5.15,-1.19,;6.48,-.42,;5.15,-2.73,;3.81,-3.5,;2.48,-2.73,;2.48,-1.19,;-2.73,-2.58,)|
Show InChI InChI=1S/C29H32N8O2/c1-35(2)13-6-9-24(38)36-14-12-29(18-36)15-20(16-29)37-28-25(27(30)32-19-33-28)26(34-37)23-11-10-22(17-31-23)39-21-7-4-3-5-8-21/h3-11,17,19-20H,12-16,18H2,1-2H3,(H2,30,32,33)/b9-6+/t20-,29+
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n/an/a 8.10n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
An HTRF assay (Cisbio KinEASE-TK cat #62TKOPEC) was performed to quantitate the ability of test compounds to inhibit BTK mediated phosphorylation of ...

US Patent US8940893 (2015)


BindingDB Entry DOI: 10.7270/Q2PV6J3P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM143319
PNG
(US8940893, 4)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)C1CC2(C1)CN(C2)C(=O)C1CO1
Show InChI InChI=1S/C26H24N6O3/c27-23-21-22(16-6-8-19(9-7-16)35-18-4-2-1-3-5-18)30-32(24(21)29-15-28-23)17-10-26(11-17)13-31(14-26)25(33)20-12-34-20/h1-9,15,17,20H,10-14H2,(H2,27,28,29)
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n/an/a 13n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
An HTRF assay (Cisbio KinEASE-TK cat #62TKOPEC) was performed to quantitate the ability of test compounds to inhibit BTK mediated phosphorylation of ...

US Patent US8940893 (2015)


BindingDB Entry DOI: 10.7270/Q2PV6J3P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM143330
PNG
(US8940893, 15)
Show SMILES CN(C)C\C=C\C(=O)N1CC2(CC(C2)n2nc(-c3ccc(Oc4ccccc4)cn3)c3c(N)ncnc23)C1
Show InChI InChI=1S/C28H30N8O2/c1-34(2)12-6-9-23(37)35-16-28(17-35)13-19(14-28)36-27-24(26(29)31-18-32-27)25(33-36)22-11-10-21(15-30-22)38-20-7-4-3-5-8-20/h3-11,15,18-19H,12-14,16-17H2,1-2H3,(H2,29,31,32)/b9-6+
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n/an/a 32n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
An HTRF assay (Cisbio KinEASE-TK cat #62TKOPEC) was performed to quantitate the ability of test compounds to inhibit BTK mediated phosphorylation of ...

US Patent US8940893 (2015)


BindingDB Entry DOI: 10.7270/Q2PV6J3P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM143325
PNG
(US8940893, 10)
Show SMILES C\C=C\C(=O)N1CC2(CC(C2)n2nc(-c3ccc(Oc4ccccc4)cn3)c3c(N)ncnc23)C1
Show InChI InChI=1S/C26H25N7O2/c1-2-6-21(34)32-14-26(15-32)11-17(12-26)33-25-22(24(27)29-16-30-25)23(31-33)20-10-9-19(13-28-20)35-18-7-4-3-5-8-18/h2-10,13,16-17H,11-12,14-15H2,1H3,(H2,27,29,30)/b6-2+
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n/an/a 65n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
An HTRF assay (Cisbio KinEASE-TK cat #62TKOPEC) was performed to quantitate the ability of test compounds to inhibit BTK mediated phosphorylation of ...

US Patent US8940893 (2015)


BindingDB Entry DOI: 10.7270/Q2PV6J3P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM143324
PNG
(US8940893, 9)
Show SMILES C\C=C\C(=O)N1CC2(CC(C2)n2nc(-c3ccc(Oc4ccccc4)nc3)c3c(N)ncnc23)C1
Show InChI InChI=1S/C26H25N7O2/c1-2-6-21(34)32-14-26(15-32)11-18(12-26)33-25-22(24(27)29-16-30-25)23(31-33)17-9-10-20(28-13-17)35-19-7-4-3-5-8-19/h2-10,13,16,18H,11-12,14-15H2,1H3,(H2,27,29,30)/b6-2+
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n/an/a 83n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
An HTRF assay (Cisbio KinEASE-TK cat #62TKOPEC) was performed to quantitate the ability of test compounds to inhibit BTK mediated phosphorylation of ...

US Patent US8940893 (2015)


BindingDB Entry DOI: 10.7270/Q2PV6J3P
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%