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USPatent US9567339

Compile Data Set for Download or QSAR

Found 358 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 [393-659]


(Homo sapiens (Human))		BDBM287156
PNG
(US9567339, Example A.1.7)
Show SMILES CC(C)Cn1cc(cn1)-c1cc2c(ccc(C(N)=O)c2[nH]1)-c1cccc(NC(=O)C=C)c1C
Show InChI InChI=1S/C26H27N5O2/c1-5-24(32)29-22-8-6-7-18(16(22)4)19-9-10-20(26(27)33)25-21(19)11-23(30-25)17-12-28-31(14-17)13-15(2)3/h5-12,14-15,30H,1,13H2,2-4H3,(H2,27,33)(H,29,32)
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AbbVie Inc.

US Patent


Assay Description
The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...

US Patent US9567339 (2017)


BindingDB Entry DOI: 10.7270/Q2P2715T
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK [393-659]


(Homo sapiens (Human))		BDBM287159
PNG
(US9567339, Example A.1.10)
Show SMILES Cc1c(NC(=O)C=C)cccc1-c1ccc(C(N)=O)c2[nH]c(cc12)-c1cncnc1
Show InChI InChI=1S/C23H19N5O2/c1-3-21(29)27-19-6-4-5-15(13(19)2)16-7-8-17(23(24)30)22-18(16)9-20(28-22)14-10-25-12-26-11-14/h3-12,28H,1H2,2H3,(H2,24,30)(H,27,29)
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AbbVie Inc.

US Patent


Assay Description
The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...

US Patent US9567339 (2017)


BindingDB Entry DOI: 10.7270/Q2P2715T
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK [393-659]


(Homo sapiens (Human))		BDBM287162
PNG
(US9567339, Example A.1.13)
Show SMILES COc1cc(ccn1)-c1cc2c(ccc(C(N)=O)c2[nH]1)-c1cccc(NC(=O)C=C)c1C
Show InChI InChI=1S/C25H22N4O3/c1-4-22(30)28-20-7-5-6-16(14(20)2)17-8-9-18(25(26)31)24-19(17)13-21(29-24)15-10-11-27-23(12-15)32-3/h4-13,29H,1H2,2-3H3,(H2,26,31)(H,28,30)
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AbbVie Inc.

US Patent


Assay Description
The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...

US Patent US9567339 (2017)


BindingDB Entry DOI: 10.7270/Q2P2715T
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK [393-659]


(Homo sapiens (Human))		BDBM287180
PNG
(US9567339, Example A.1.31)
Show SMILES CN1CCN(CC1)C(=O)c1cccc(c1)-c1cc2c(ccc(C(N)=O)c2[nH]1)-c1cccc(NC(=O)C=C)c1C
Show InChI InChI=1S/C31H31N5O3/c1-4-28(37)33-26-10-6-9-22(19(26)2)23-11-12-24(30(32)38)29-25(23)18-27(34-29)20-7-5-8-21(17-20)31(39)36-15-13-35(3)14-16-36/h4-12,17-18,34H,1,13-16H2,2-3H3,(H2,32,38)(H,33,37)
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AbbVie Inc.

US Patent


Assay Description
The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...

US Patent US9567339 (2017)


BindingDB Entry DOI: 10.7270/Q2P2715T
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK [393-659]


(Homo sapiens (Human))		BDBM287181
PNG
(US9567339, Example A.1.32)
Show SMILES Cc1c(NC(=O)C=C)cccc1-c1ccc(C(N)=O)c2[nH]c(cc12)-c1ccc(F)cc1
Show InChI InChI=1S/C25H20FN3O2/c1-3-23(30)28-21-6-4-5-17(14(21)2)18-11-12-19(25(27)31)24-20(18)13-22(29-24)15-7-9-16(26)10-8-15/h3-13,29H,1H2,2H3,(H2,27,31)(H,28,30)
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AbbVie Inc.

US Patent


Assay Description
The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...

US Patent US9567339 (2017)


BindingDB Entry DOI: 10.7270/Q2P2715T
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK [393-659]


(Homo sapiens (Human))		BDBM287184
PNG
(US9567339, Example A.1.35)
Show SMILES CN(C)C(=O)c1ccc(cc1)-c1cc2c(ccc(C(N)=O)c2[nH]1)-c1cccc(NC(=O)C=C)c1C
Show InChI InChI=1S/C28H26N4O3/c1-5-25(33)30-23-8-6-7-19(16(23)2)20-13-14-21(27(29)34)26-22(20)15-24(31-26)17-9-11-18(12-10-17)28(35)32(3)4/h5-15,31H,1H2,2-4H3,(H2,29,34)(H,30,33)
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AbbVie Inc.

US Patent


Assay Description
The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...

US Patent US9567339 (2017)


BindingDB Entry DOI: 10.7270/Q2P2715T
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK [393-659]


(Homo sapiens (Human))		BDBM287191
PNG
(US9567339, Example A.1.42)
Show SMILES Cc1c(NC(=O)C=C)cccc1-c1ccc(C(N)=O)c2[nH]c(cc12)-c1ccc(cc1)C#N
Show InChI InChI=1S/C26H20N4O2/c1-3-24(31)29-22-6-4-5-18(15(22)2)19-11-12-20(26(28)32)25-21(19)13-23(30-25)17-9-7-16(14-27)8-10-17/h3-13,30H,1H2,2H3,(H2,28,32)(H,29,31)
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AbbVie Inc.

US Patent


Assay Description
The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...

US Patent US9567339 (2017)


BindingDB Entry DOI: 10.7270/Q2P2715T
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK [393-659]


(Homo sapiens (Human))		BDBM287193
PNG
(US9567339, Example A.1.44)
Show SMILES Cc1c(NC(=O)C=C)cccc1-c1ccc(C(N)=O)c2[nH]c(cc12)-c1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C30H30N4O3/c1-3-28(35)32-26-6-4-5-22(19(26)2)23-11-12-24(30(31)36)29-25(23)17-27(33-29)21-9-7-20(8-10-21)18-34-13-15-37-16-14-34/h3-12,17,33H,1,13-16,18H2,2H3,(H2,31,36)(H,32,35)
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AbbVie Inc.

US Patent


Assay Description
The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...

US Patent US9567339 (2017)


BindingDB Entry DOI: 10.7270/Q2P2715T
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK [393-659]


(Homo sapiens (Human))		BDBM287201
PNG
(US9567339, Example A.3.5)
Show SMILES CC(=O)N1CCC(=CC1)c1cc2c(ccc(C(N)=O)c2[nH]1)-c1cccc(NC(=O)c2cc3CCCCc3s2)c1C |c:6|
Show InChI InChI=1S/C32H32N4O3S/c1-18-22(7-5-8-26(18)35-32(39)29-16-21-6-3-4-9-28(21)40-29)23-10-11-24(31(33)38)30-25(23)17-27(34-30)20-12-14-36(15-13-20)19(2)37/h5,7-8,10-12,16-17,34H,3-4,6,9,13-15H2,1-2H3,(H2,33,38)(H,35,39)
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AbbVie Inc.

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Assay Description
The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...

US Patent US9567339 (2017)


BindingDB Entry DOI: 10.7270/Q2P2715T
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK [393-659]


(Homo sapiens (Human))		BDBM287204
PNG
(US9567339, Example A.3.8)
Show SMILES CC(=O)N1CCC(=CC1)c1cc2c(ccc(C(N)=O)c2[nH]1)-c1cccc(NC(=O)c2ccc(cc2)C(C)(C)C#N)c1C |c:6|
Show InChI InChI=1S/C34H33N5O3/c1-20-25(6-5-7-29(20)38-33(42)23-8-10-24(11-9-23)34(3,4)19-35)26-12-13-27(32(36)41)31-28(26)18-30(37-31)22-14-16-39(17-15-22)21(2)40/h5-14,18,37H,15-17H2,1-4H3,(H2,36,41)(H,38,42)
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AbbVie Inc.

US Patent


Assay Description
The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...

US Patent US9567339 (2017)


BindingDB Entry DOI: 10.7270/Q2P2715T
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK [393-659]


(Homo sapiens (Human))		BDBM287215
PNG
(US9567339, Example A.4.11)
Show SMILES Cc1c(NC2COC2)cccc1-c1ccc(C(N)=O)c2[nH]c(cc12)C1=CCN(CC1)S(C)(=O)=O |t:28|
Show InChI InChI=1S/C25H28N4O4S/c1-15-18(4-3-5-22(15)27-17-13-33-14-17)19-6-7-20(25(26)30)24-21(19)12-23(28-24)16-8-10-29(11-9-16)34(2,31)32/h3-8,12,17,27-28H,9-11,13-14H2,1-2H3,(H2,26,30)
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AbbVie Inc.

US Patent


Assay Description
The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...

US Patent US9567339 (2017)


BindingDB Entry DOI: 10.7270/Q2P2715T
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK [393-659]


(Homo sapiens (Human))		BDBM287235
PNG
(US9567339, Example A.7.4)
Show SMILES Cc1c(cccc1-c1ccc(C(N)=O)c2[nH]c(cc12)-c1cccnc1)N1Cc2ccccc2C1=O
Show InChI InChI=1S/C29H22N4O2/c1-17-20(9-4-10-26(17)33-16-19-6-2-3-8-21(19)29(33)35)22-11-12-23(28(30)34)27-24(22)14-25(32-27)18-7-5-13-31-15-18/h2-15,32H,16H2,1H3,(H2,30,34)
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AbbVie Inc.

US Patent


Assay Description
The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...

US Patent US9567339 (2017)


BindingDB Entry DOI: 10.7270/Q2P2715T
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK [393-659]


(Homo sapiens (Human))		BDBM287236
PNG
(US9567339, Example A.7.5)
Show SMILES Cc1ccc2CN(C(=O)c2c1)c1cccc(c1C)-c1ccc(C(N)=O)c2[nH]c(cc12)-c1cccnc1
Show InChI InChI=1S/C30H24N4O2/c1-17-8-9-20-16-34(30(36)24(20)13-17)27-7-3-6-21(18(27)2)22-10-11-23(29(31)35)28-25(22)14-26(33-28)19-5-4-12-32-15-19/h3-15,33H,16H2,1-2H3,(H2,31,35)
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AbbVie Inc.

US Patent


Assay Description
The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...

US Patent US9567339 (2017)


BindingDB Entry DOI: 10.7270/Q2P2715T
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK [393-659]


(Homo sapiens (Human))		BDBM287239
PNG
(US9567339, Example A.7.8)
Show SMILES Cc1c(NC(=O)c2nccs2)cccc1-c1ccc(C(N)=O)c2[nH]c(cc12)-c1cccnc1
Show InChI InChI=1S/C25H19N5O2S/c1-14-16(5-2-6-20(14)30-24(32)25-28-10-11-33-25)17-7-8-18(23(26)31)22-19(17)12-21(29-22)15-4-3-9-27-13-15/h2-13,29H,1H3,(H2,26,31)(H,30,32)
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AbbVie Inc.

US Patent


Assay Description
The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...

US Patent US9567339 (2017)


BindingDB Entry DOI: 10.7270/Q2P2715T
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK [393-659]


(Homo sapiens (Human))		BDBM287251
PNG
(US9567339, Example A.9.2)
Show SMILES NC(=O)c1ccc(-c2cccnc2)c2cc([nH]c12)-c1ccc(F)cc1
Show InChI InChI=1S/C20H14FN3O/c21-14-5-3-12(4-6-14)18-10-17-15(13-2-1-9-23-11-13)7-8-16(20(22)25)19(17)24-18/h1-11,24H,(H2,22,25)
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AbbVie Inc.

US Patent


Assay Description
The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...

US Patent US9567339 (2017)


BindingDB Entry DOI: 10.7270/Q2P2715T
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK [393-659]


(Homo sapiens (Human))		BDBM287259
PNG
(US9567339, Example A.10.3)
Show SMILES Cc1c(cccc1-c1ccc(C(N)=O)c2[nH]c(cc12)-c1cnn(C)c1)N(C1COC1)C(=O)c1nccs1
Show InChI InChI=1S/C27H24N6O3S/c1-15-18(4-3-5-23(15)33(17-13-36-14-17)27(35)26-29-8-9-37-26)19-6-7-20(25(28)34)24-21(19)10-22(31-24)16-11-30-32(2)12-16/h3-12,17,31H,13-14H2,1-2H3,(H2,28,34)
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AbbVie Inc.

US Patent


Assay Description
The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...

US Patent US9567339 (2017)


BindingDB Entry DOI: 10.7270/Q2P2715T
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK [393-659]


(Homo sapiens (Human))		BDBM287269
PNG
(US9567339, Example A.14.1)
Show SMILES Cc1c(cccc1-n1cnc2ccc(F)cc2c1=O)-c1ccc(C(N)=O)c2[nH]c(cc12)-c1cnn(CC(C)(C)O)c1
Show InChI InChI=1S/C31H27FN6O3/c1-17-20(5-4-6-27(17)38-16-34-25-10-7-19(32)11-24(25)30(38)40)21-8-9-22(29(33)39)28-23(21)12-26(36-28)18-13-35-37(14-18)15-31(2,3)41/h4-14,16,36,41H,15H2,1-3H3,(H2,33,39)
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AbbVie Inc.

US Patent


Assay Description
The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...

US Patent US9567339 (2017)


BindingDB Entry DOI: 10.7270/Q2P2715T
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK [393-659]


(Homo sapiens (Human))		BDBM287295
PNG
(US9567339, Example D.6.2)
Show SMILES NC(=O)c1ccc(-c2cccc(NC(=O)C(=C)CN3CCOCC3)c2)c2cc[nH]c12
Show InChI InChI=1S/C23H24N4O3/c1-15(14-27-9-11-30-12-10-27)23(29)26-17-4-2-3-16(13-17)18-5-6-20(22(24)28)21-19(18)7-8-25-21/h2-8,13,25H,1,9-12,14H2,(H2,24,28)(H,26,29)
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AbbVie Inc.

US Patent


Assay Description
The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...

US Patent US9567339 (2017)


BindingDB Entry DOI: 10.7270/Q2P2715T
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK [393-659]


(Homo sapiens (Human))		BDBM287300
PNG
(US9567339, Example D.7.5)
Show SMILES CC(=C)C(=O)Nc1cccc(c1C)-c1ccc(C(N)=O)c2[nH]c(cc12)C1=CCN(CC1)S(C)(=O)=O |t:28|
Show InChI InChI=1S/C26H28N4O4S/c1-15(2)26(32)29-22-7-5-6-18(16(22)3)19-8-9-20(25(27)31)24-21(19)14-23(28-24)17-10-12-30(13-11-17)35(4,33)34/h5-10,14,28H,1,11-13H2,2-4H3,(H2,27,31)(H,29,32)
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AbbVie Inc.

US Patent


Assay Description
The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...

US Patent US9567339 (2017)


BindingDB Entry DOI: 10.7270/Q2P2715T
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK [393-659]


(Homo sapiens (Human))		BDBM287315
PNG
(US9567339, Example D.7.20)
Show SMILES CCOC(=O)\C=C\C(=O)Nc1cccc(c1C)-c1ccc(C(N)=O)c2[nH]c(cc12)C1=CCN(CC1)S(C)(=O)=O |t:32|
Show InChI InChI=1S/C28H30N4O6S/c1-4-38-26(34)11-10-25(33)30-23-7-5-6-19(17(23)2)20-8-9-21(28(29)35)27-22(20)16-24(31-27)18-12-14-32(15-13-18)39(3,36)37/h5-12,16,31H,4,13-15H2,1-3H3,(H2,29,35)(H,30,33)/b11-10+
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AbbVie Inc.

US Patent


Assay Description
The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...

US Patent US9567339 (2017)


BindingDB Entry DOI: 10.7270/Q2P2715T
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK [393-659]


(Homo sapiens (Human))		BDBM287318
PNG
(US9567339, Example D.7.23)
Show SMILES CN(C)CCC(=O)Nc1cccc(c1C)-c1ccc(C(N)=O)c2[nH]c(cc12)C1=CCN(CC1)S(C)(=O)=O |t:30|
Show InChI InChI=1S/C27H33N5O4S/c1-17-19(6-5-7-23(17)29-25(33)12-13-31(2)3)20-8-9-21(27(28)34)26-22(20)16-24(30-26)18-10-14-32(15-11-18)37(4,35)36/h5-10,16,30H,11-15H2,1-4H3,(H2,28,34)(H,29,33)
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AbbVie Inc.

US Patent


Assay Description
The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...

US Patent US9567339 (2017)


BindingDB Entry DOI: 10.7270/Q2P2715T
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK [393-659]


(Homo sapiens (Human))		BDBM287325
PNG
(US9567339, Example D.7.30)
Show SMILES Cc1nc(cs1)C(=O)Nc1cccc(c1C)-c1ccc(C(N)=O)c2[nH]c(cc12)C1=CCN(CC1)S(C)(=O)=O |t:32|
Show InChI InChI=1S/C27H27N5O4S2/c1-15-18(5-4-6-22(15)31-27(34)24-14-37-16(2)29-24)19-7-8-20(26(28)33)25-21(19)13-23(30-25)17-9-11-32(12-10-17)38(3,35)36/h4-9,13-14,30H,10-12H2,1-3H3,(H2,28,33)(H,31,34)
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AbbVie Inc.

US Patent


Assay Description
The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...

US Patent US9567339 (2017)


BindingDB Entry DOI: 10.7270/Q2P2715T
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK [393-659]


(Homo sapiens (Human))		BDBM287358
PNG
(US9567339, Example E.1.4)
Show SMILES NC(=O)c1ccc(-c2cncc(NC(=O)C=C)c2)c2cc[nH]c12
Show InChI InChI=1S/C17H14N4O2/c1-2-15(22)21-11-7-10(8-19-9-11)12-3-4-14(17(18)23)16-13(12)5-6-20-16/h2-9,20H,1H2,(H2,18,23)(H,21,22)
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AbbVie Inc.

US Patent


Assay Description
The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...

US Patent US9567339 (2017)


BindingDB Entry DOI: 10.7270/Q2P2715T
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK [393-659]


(Homo sapiens (Human))		BDBM287359
PNG
(US9567339, Example E.1.5)
Show SMILES CN(C(=O)C=C)c1cccc(c1)-c1ccc(C(N)=O)c2[nH]ccc12
Show InChI InChI=1S/C19H17N3O2/c1-3-17(23)22(2)13-6-4-5-12(11-13)14-7-8-16(19(20)24)18-15(14)9-10-21-18/h3-11,21H,1H2,2H3,(H2,20,24)
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AbbVie Inc.

US Patent


Assay Description
The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...

US Patent US9567339 (2017)


BindingDB Entry DOI: 10.7270/Q2P2715T
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK [393-659]


(Homo sapiens (Human))		BDBM287385
PNG
(US9567339, Example E.1.31)
Show SMILES NC(=O)c1ccc(-c2ccc(C#N)c(NC(=O)C=C)c2)c2cc[nH]c12
Show InChI InChI=1S/C19H14N4O2/c1-2-17(24)23-16-9-11(3-4-12(16)10-20)13-5-6-15(19(21)25)18-14(13)7-8-22-18/h2-9,22H,1H2,(H2,21,25)(H,23,24)
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AbbVie Inc.

US Patent


Assay Description
The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...

US Patent US9567339 (2017)


BindingDB Entry DOI: 10.7270/Q2P2715T
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK [393-659]


(Homo sapiens (Human))		BDBM287397
PNG
(US9567339, Example E.6.1)
Show SMILES CCOC(=O)N1CC=C(C1)c1cc2c(ccc(C(N)=O)c2[nH]1)-c1cccc(c1C)-n1cnc2ccccc2c1=O |c:7|
Show InChI InChI=1S/C31H27N5O4/c1-3-40-31(39)35-14-13-19(16-35)26-15-24-21(11-12-23(29(32)37)28(24)34-26)20-8-6-10-27(18(20)2)36-17-33-25-9-5-4-7-22(25)30(36)38/h4-13,15,17,34H,3,14,16H2,1-2H3,(H2,32,37)
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AbbVie Inc.

US Patent


Assay Description
The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...

US Patent US9567339 (2017)


BindingDB Entry DOI: 10.7270/Q2P2715T
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK [393-659]


(Homo sapiens (Human))		BDBM287404
PNG
(US9567339, Example E.9.2)
Show SMILES CN(C1CN(C1)C(=O)C=C)c1ccc(C(N)=O)c2[nH]c(cc12)C1CC1
Show InChI InChI=1S/C19H22N4O2/c1-3-17(24)23-9-12(10-23)22(2)16-7-6-13(19(20)25)18-14(16)8-15(21-18)11-4-5-11/h3,6-8,11-12,21H,1,4-5,9-10H2,2H3,(H2,20,25)
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AbbVie Inc.

US Patent


Assay Description
The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...

US Patent US9567339 (2017)


BindingDB Entry DOI: 10.7270/Q2P2715T
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK [393-659]


(Homo sapiens (Human))		BDBM287411
PNG
(US9567339, Example E.9.10)
Show SMILES CN(C1CN(C1)C(=O)C=C)c1ccc(C(N)=O)c2[nH]c(cc12)-c1ccc(nc1)N1CCOCC1
Show InChI InChI=1S/C25H28N6O3/c1-3-23(32)31-14-17(15-31)29(2)21-6-5-18(25(26)33)24-19(21)12-20(28-24)16-4-7-22(27-13-16)30-8-10-34-11-9-30/h3-7,12-13,17,28H,1,8-11,14-15H2,2H3,(H2,26,33)
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AbbVie Inc.

US Patent


Assay Description
The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...

US Patent US9567339 (2017)


BindingDB Entry DOI: 10.7270/Q2P2715T
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK [393-659]


(Homo sapiens (Human))		BDBM287415
PNG
(US9567339, Example E.9.14)
Show SMILES CN(C1CN(C1)C(=O)C=C)c1ccc(C(N)=O)c2[nH]c(cc12)-c1cnn(C)c1
Show InChI InChI=1S/C20H22N6O2/c1-4-18(27)26-10-13(11-26)25(3)17-6-5-14(20(21)28)19-15(17)7-16(23-19)12-8-22-24(2)9-12/h4-9,13,23H,1,10-11H2,2-3H3,(H2,21,28)
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AbbVie Inc.

US Patent


Assay Description
The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...

US Patent US9567339 (2017)


BindingDB Entry DOI: 10.7270/Q2P2715T
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK [393-659]


(Homo sapiens (Human))		BDBM287425
PNG
(US9567339, Example E.9.24)
Show SMILES Cn1cc(cn1)-c1cc2c(ccc(C(N)=O)c2[nH]1)[C@H]1CN(CCO1)C(=O)C=C |r|
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AbbVie Inc.

US Patent


Assay Description
The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...

US Patent US9567339 (2017)


BindingDB Entry DOI: 10.7270/Q2P2715T
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK [393-659]


(Homo sapiens (Human))		BDBM287427
PNG
(US9567339, Example E.9.26)
Show SMILES NC(=O)c1ccc([C@H]2CCN(C2)C(=O)C=C)c2cc([nH]c12)-c1cc2COCCn2n1 |r|
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AbbVie Inc.

US Patent


Assay Description
The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...

US Patent US9567339 (2017)


BindingDB Entry DOI: 10.7270/Q2P2715T
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK [393-659]


(Homo sapiens (Human))		BDBM287476
PNG
(US9567339, Example O.1.4*)
Show SMILES CS(=O)(=O)N1CCC(=CC1)c1cc2c(ccc(C(N)=O)c2[nH]1)N1CCC[C@H](C1)n1ccn2ccnc2c1=O |r,c:7|
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AbbVie Inc.

US Patent


Assay Description
The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...

US Patent US9567339 (2017)


BindingDB Entry DOI: 10.7270/Q2P2715T
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK [393-659]


(Homo sapiens (Human))		BDBM287502
PNG
(US9567339, Example 5.1)
Show SMILES CN(C1CN(C1)C(=O)C=C)c1ccc(C(N)=O)c2[nH]c(cc12)[C@@H]1CCOC1 |r|
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AbbVie Inc.

US Patent


Assay Description
The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...

US Patent US9567339 (2017)


BindingDB Entry DOI: 10.7270/Q2P2715T
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK [393-659]


(Homo sapiens (Human))		BDBM287507
PNG
(US9567339, Example 4.2)
Show SMILES Cn1cc(cn1)-c1cc2c(ccc(C(N)=O)c2[nH]1)[C@H]1CCCN(C1)C(=O)C=C |r|
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AbbVie Inc.

US Patent


Assay Description
The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...

US Patent US9567339 (2017)


BindingDB Entry DOI: 10.7270/Q2P2715T
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK [393-659]


(Homo sapiens (Human))		BDBM287161
PNG
(US9567339, Example A.1.12)
Show SMILES Cc1c(NC(=O)C=C)cccc1-c1ccc(C(N)=O)c2[nH]c(cc12)-c1ccncc1
Show InChI InChI=1S/C24H20N4O2/c1-3-22(29)27-20-6-4-5-16(14(20)2)17-7-8-18(24(25)30)23-19(17)13-21(28-23)15-9-11-26-12-10-15/h3-13,28H,1H2,2H3,(H2,25,30)(H,27,29)
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AbbVie Inc.

US Patent


Assay Description
The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...

US Patent US9567339 (2017)


BindingDB Entry DOI: 10.7270/Q2P2715T
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK [393-659]


(Homo sapiens (Human))		BDBM287165
PNG
(US9567339, Example A.1.16)
Show SMILES Cc1c(NC(=O)C=C)cccc1-c1ccc(C(N)=O)c2[nH]c(cc12)-c1ccc(F)nc1
Show InChI InChI=1S/C24H19FN4O2/c1-3-22(30)28-19-6-4-5-15(13(19)2)16-8-9-17(24(26)31)23-18(16)11-20(29-23)14-7-10-21(25)27-12-14/h3-12,29H,1H2,2H3,(H2,26,31)(H,28,30)
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AbbVie Inc.

US Patent


Assay Description
The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...

US Patent US9567339 (2017)


BindingDB Entry DOI: 10.7270/Q2P2715T
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK [393-659]


(Homo sapiens (Human))		BDBM287176
PNG
(US9567339, Example A.1.27)
Show SMILES CN(C)c1cccc(c1)-c1cc2c(ccc(C(N)=O)c2[nH]1)-c1cccc(NC(=O)C=C)c1C
Show InChI InChI=1S/C27H26N4O2/c1-5-25(32)29-23-11-7-10-19(16(23)2)20-12-13-21(27(28)33)26-22(20)15-24(30-26)17-8-6-9-18(14-17)31(3)4/h5-15,30H,1H2,2-4H3,(H2,28,33)(H,29,32)
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AbbVie Inc.

US Patent


Assay Description
The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...

US Patent US9567339 (2017)


BindingDB Entry DOI: 10.7270/Q2P2715T
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK [393-659]


(Homo sapiens (Human))		BDBM287185
PNG
(US9567339, Example A.1.36)
Show SMILES Cc1c(NC(=O)C=C)cccc1-c1ccc(C(N)=O)c2[nH]c(cc12)-c1cccnc1
Show InChI InChI=1S/C24H20N4O2/c1-3-22(29)27-20-8-4-7-16(14(20)2)17-9-10-18(24(25)30)23-19(17)12-21(28-23)15-6-5-11-26-13-15/h3-13,28H,1H2,2H3,(H2,25,30)(H,27,29)
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AbbVie Inc.

US Patent


Assay Description
The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...

US Patent US9567339 (2017)


BindingDB Entry DOI: 10.7270/Q2P2715T
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK [393-659]


(Homo sapiens (Human))		BDBM287190
PNG
(US9567339, Example A.1.41)
Show SMILES COc1ccc(cn1)-c1cc2c(ccc(C(N)=O)c2[nH]1)-c1cccc(NC(=O)C=C)c1C
Show InChI InChI=1S/C25H22N4O3/c1-4-22(30)28-20-7-5-6-16(14(20)2)17-9-10-18(25(26)31)24-19(17)12-21(29-24)15-8-11-23(32-3)27-13-15/h4-13,29H,1H2,2-3H3,(H2,26,31)(H,28,30)
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US Patent


Assay Description
The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...

US Patent US9567339 (2017)


BindingDB Entry DOI: 10.7270/Q2P2715T
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK [393-659]


(Homo sapiens (Human))		BDBM287199
PNG
(US9567339, Example A.3.3)
Show SMILES CC(=O)N1CCC(=CC1)c1cc2c(ccc(C(N)=O)c2[nH]1)-c1cccc(NC(=O)c2ccc(cc2)C(C)(C)C)c1C |c:6|
Show InChI InChI=1S/C34H36N4O3/c1-20-25(7-6-8-29(20)37-33(41)23-9-11-24(12-10-23)34(3,4)5)26-13-14-27(32(35)40)31-28(26)19-30(36-31)22-15-17-38(18-16-22)21(2)39/h6-15,19,36H,16-18H2,1-5H3,(H2,35,40)(H,37,41)
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US Patent


Assay Description
The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...

US Patent US9567339 (2017)


BindingDB Entry DOI: 10.7270/Q2P2715T
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK [393-659]


(Homo sapiens (Human))		BDBM287203
PNG
(US9567339, Example A.3.7)
Show SMILES CC(=O)N1CCC(=CC1)c1cc2c(ccc(C(N)=O)c2[nH]1)-c1cccc(NC(=O)c2ccc(cc2)C(F)F)c1C |c:6|
Show InChI InChI=1S/C31H28F2N4O3/c1-17-22(4-3-5-26(17)36-31(40)21-8-6-20(7-9-21)29(32)33)23-10-11-24(30(34)39)28-25(23)16-27(35-28)19-12-14-37(15-13-19)18(2)38/h3-12,16,29,35H,13-15H2,1-2H3,(H2,34,39)(H,36,40)
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US Patent


Assay Description
The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...

US Patent US9567339 (2017)


BindingDB Entry DOI: 10.7270/Q2P2715T
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK [393-659]


(Homo sapiens (Human))		BDBM287208
PNG
(US9567339, Example A.4.4)
Show SMILES CS(=O)(=O)N1CCC(=CC1)c1cc2c(ccc(C(N)=O)c2[nH]1)-c1cccc(OCc2nccs2)c1 |c:7|
Show InChI InChI=1S/C25H24N4O4S2/c1-35(31,32)29-10-7-16(8-11-29)22-14-21-19(5-6-20(25(26)30)24(21)28-22)17-3-2-4-18(13-17)33-15-23-27-9-12-34-23/h2-7,9,12-14,28H,8,10-11,15H2,1H3,(H2,26,30)
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US Patent


Assay Description
The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...

US Patent US9567339 (2017)


BindingDB Entry DOI: 10.7270/Q2P2715T
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK [393-659]


(Homo sapiens (Human))		BDBM287216
PNG
(US9567339, Example A.4.12)
Show SMILES Cc1c(cccc1-c1ccc(C(N)=O)c2[nH]c(cc12)C1=CCN(CC1)S(C)(=O)=O)N(C1COC1)C(=O)c1ccc(cc1)C(F)F |t:22|
Show InChI InChI=1S/C33H32F2N4O5S/c1-19-24(4-3-5-29(19)39(23-17-44-18-23)33(41)22-8-6-21(7-9-22)31(34)35)25-10-11-26(32(36)40)30-27(25)16-28(37-30)20-12-14-38(15-13-20)45(2,42)43/h3-12,16,23,31,37H,13-15,17-18H2,1-2H3,(H2,36,40)
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AbbVie Inc.

US Patent


Assay Description
The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...

US Patent US9567339 (2017)


BindingDB Entry DOI: 10.7270/Q2P2715T
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK [393-659]


(Homo sapiens (Human))		BDBM287217
PNG
(US9567339, Example A.4.13)
Show SMILES Cc1c(NCCO)cccc1-c1ccc(C(N)=O)c2[nH]c(cc12)C1=CCN(CC1)S(C)(=O)=O |t:26|
Show InChI InChI=1S/C24H28N4O4S/c1-15-17(4-3-5-21(15)26-10-13-29)18-6-7-19(24(25)30)23-20(18)14-22(27-23)16-8-11-28(12-9-16)33(2,31)32/h3-8,14,26-27,29H,9-13H2,1-2H3,(H2,25,30)
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AbbVie Inc.

US Patent


Assay Description
The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...

US Patent US9567339 (2017)


BindingDB Entry DOI: 10.7270/Q2P2715T
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK [393-659]


(Homo sapiens (Human))		BDBM287221
PNG
(US9567339, Example A.4.17)
Show SMILES Cc1c(NC(=O)c2nccs2)cccc1-c1ccc(C(N)=O)c2[nH]c(cc12)C1=CCN(CC1)S(C)(=O)=O |t:31|
Show InChI InChI=1S/C26H25N5O4S2/c1-15-17(4-3-5-21(15)30-25(33)26-28-10-13-36-26)18-6-7-19(24(27)32)23-20(18)14-22(29-23)16-8-11-31(12-9-16)37(2,34)35/h3-8,10,13-14,29H,9,11-12H2,1-2H3,(H2,27,32)(H,30,33)
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AbbVie Inc.

US Patent


Assay Description
The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...

US Patent US9567339 (2017)


BindingDB Entry DOI: 10.7270/Q2P2715T
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK [393-659]


(Homo sapiens (Human))		BDBM287223
PNG
(US9567339, Example A.4.19)
Show SMILES Cc1c(cccc1-n1cnc2ccc(F)cc2c1=O)-c1ccc(C(N)=O)c2[nH]c(cc12)C1=CCN(CC1)S(C)(=O)=O |t:36|
Show InChI InChI=1S/C30H26FN5O4S/c1-17-20(4-3-5-27(17)36-16-33-25-9-6-19(31)14-24(25)30(36)38)21-7-8-22(29(32)37)28-23(21)15-26(34-28)18-10-12-35(13-11-18)41(2,39)40/h3-10,14-16,34H,11-13H2,1-2H3,(H2,32,37)
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AbbVie Inc.

US Patent


Assay Description
The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...

US Patent US9567339 (2017)


BindingDB Entry DOI: 10.7270/Q2P2715T
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK [393-659]


(Homo sapiens (Human))		BDBM287234
PNG
(US9567339, Example A.7.3)
Show SMILES Cc1c(NC(=O)c2cc3CCCCc3s2)cccc1-c1ccc(C(N)=O)c2[nH]c(cc12)-c1cccnc1
Show InChI InChI=1S/C30H26N4O2S/c1-17-20(8-4-9-24(17)34-30(36)27-14-18-6-2-3-10-26(18)37-27)21-11-12-22(29(31)35)28-23(21)15-25(33-28)19-7-5-13-32-16-19/h4-5,7-9,11-16,33H,2-3,6,10H2,1H3,(H2,31,35)(H,34,36)
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AbbVie Inc.

US Patent


Assay Description
The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...

US Patent US9567339 (2017)


BindingDB Entry DOI: 10.7270/Q2P2715T
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK [393-659]


(Homo sapiens (Human))		BDBM287255
PNG
(US9567339, Example A.9.6)
Show SMILES Cc1c(cccc1-c1ccc(C(N)=O)c2[nH]c(cc12)-c1ccc(F)cc1)N1Cc2ccc(F)cc2C1=O
Show InChI InChI=1S/C30H21F2N3O2/c1-16-21(3-2-4-27(16)35-15-18-7-10-20(32)13-24(18)30(35)37)22-11-12-23(29(33)36)28-25(22)14-26(34-28)17-5-8-19(31)9-6-17/h2-14,34H,15H2,1H3,(H2,33,36)
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AbbVie Inc.

US Patent


Assay Description
The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...

US Patent US9567339 (2017)


BindingDB Entry DOI: 10.7270/Q2P2715T
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK [393-659]


(Homo sapiens (Human))		BDBM287257
PNG
(US9567339, Example A.10.1)
Show SMILES Cc1c(cccc1-n1cnc2ccccc2c1=O)-c1ccc(C(N)=O)c2[nH]c(cc12)-c1cnn(C)c1
Show InChI InChI=1S/C28H22N6O2/c1-16-18(7-5-9-25(16)34-15-30-23-8-4-3-6-20(23)28(34)36)19-10-11-21(27(29)35)26-22(19)12-24(32-26)17-13-31-33(2)14-17/h3-15,32H,1-2H3,(H2,29,35)
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AbbVie Inc.

US Patent


Assay Description
The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...

US Patent US9567339 (2017)


BindingDB Entry DOI: 10.7270/Q2P2715T
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK [393-659]


(Homo sapiens (Human))		BDBM287263
PNG
(US9567339, Example A.11.2)
Show SMILES Cc1c(cccc1-n1cnc2ccc(F)cc2c1=O)-c1ccc(C(N)=O)c2[nH]c(cc12)C1=CCOCC1 |t:36|
Show InChI InChI=1S/C29H23FN4O3/c1-16-19(3-2-4-26(16)34-15-32-24-8-5-18(30)13-23(24)29(34)36)20-6-7-21(28(31)35)27-22(20)14-25(33-27)17-9-11-37-12-10-17/h2-9,13-15,33H,10-12H2,1H3,(H2,31,35)
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AbbVie Inc.

US Patent


Assay Description
The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...

US Patent US9567339 (2017)


BindingDB Entry DOI: 10.7270/Q2P2715T
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%