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Patent code US8975260

Compile Data Set for Download or QSAR
Found 12 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))
BDBM149465
PNG
(US8975260, 112)
Show SMILES Cc1cc(Nc2cc(n[nH]c2=O)-c2cccc(N3Cc4cc(sc4C3=O)C(C)(C)C)c2C)nn1C
Show InChI InChI=1S/C26H28N6O2S/c1-14-10-22(30-31(14)6)27-19-12-18(28-29-24(19)33)17-8-7-9-20(15(17)2)32-13-16-11-21(26(3,4)5)35-23(16)25(32)34/h7-12H,13H2,1-6H3,(H,29,33)(H,27,28,30)
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n/an/a 3n/an/an/an/a7.5n/a



Genetech, Inc; Gilead Connecticut, 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 Bt...


US Patent US8975260 (2015)


BindingDB Entry DOI: 10.7270/Q2PK0DW9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM149466
PNG
(US8975260, 113)
Show SMILES Cc1c(cccc1-c1cc(Nc2cc([nH]n2)C2CC2)c(=O)[nH]n1)N1Cc2cc(sc2C1=O)C(C)(C)C
Show InChI InChI=1S/C27H28N6O2S/c1-14-17(19-11-20(25(34)32-30-19)28-23-12-18(29-31-23)15-8-9-15)6-5-7-21(14)33-13-16-10-22(27(2,3)4)36-24(16)26(33)35/h5-7,10-12,15H,8-9,13H2,1-4H3,(H,32,34)(H2,28,29,30,31)
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n/an/a 4n/an/an/an/a7.5n/a



Genetech, Inc; Gilead Connecticut, 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 Bt...


US Patent US8975260 (2015)


BindingDB Entry DOI: 10.7270/Q2PK0DW9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM149472
PNG
(US8975260, 119)
Show SMILES Cc1c(cccc1-c1cc(Nc2cc(CN3CC(F)(F)C3)n(C)n2)c(=O)[nH]n1)N1Cc2cc(sc2C1=O)C(C)(C)C
Show InChI InChI=1S/C29H31F2N7O2S/c1-16-19(7-6-8-22(16)38-12-17-9-23(28(2,3)4)41-25(17)27(38)40)20-11-21(26(39)34-33-20)32-24-10-18(36(5)35-24)13-37-14-29(30,31)15-37/h6-11H,12-15H2,1-5H3,(H,34,39)(H,32,33,35)
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n/an/a 5n/an/an/an/a7.5n/a



Genetech, Inc; Gilead Connecticut, 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 Bt...


US Patent US8975260 (2015)


BindingDB Entry DOI: 10.7270/Q2PK0DW9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM149467
PNG
(US8975260, 114)
Show SMILES Cc1cc(Nc2cc(n[nH]c2=O)-c2ccc(F)c(c2)N2Cc3cc(sc3C2=O)C(C)(C)C)nn1C
Show InChI InChI=1S/C25H25FN6O2S/c1-13-8-21(30-31(13)5)27-18-11-17(28-29-23(18)33)14-6-7-16(26)19(9-14)32-12-15-10-20(25(2,3)4)35-22(15)24(32)34/h6-11H,12H2,1-5H3,(H,29,33)(H,27,28,30)
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n/an/a 9n/an/an/an/a7.5n/a



Genetech, Inc; Gilead Connecticut, 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 Bt...


US Patent US8975260 (2015)


BindingDB Entry DOI: 10.7270/Q2PK0DW9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM149464
PNG
(US8975260, 107)
Show SMILES CN1CCn2nc(Nc3cc(n[nH]c3=O)-c3cccc(N4Cc5ccc(cc5C4=O)C(C)(C)C)c3C)cc2C1
Show InChI InChI=1S/C30H33N7O2/c1-18-22(7-6-8-26(18)36-16-19-9-10-20(30(2,3)4)13-23(19)29(36)39)24-15-25(28(38)33-32-24)31-27-14-21-17-35(5)11-12-37(21)34-27/h6-10,13-15H,11-12,16-17H2,1-5H3,(H,33,38)(H,31,32,34)
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n/an/a 14n/an/an/an/a7.5n/a



Genetech, Inc; Gilead Connecticut, 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 Bt...


US Patent US8975260 (2015)


BindingDB Entry DOI: 10.7270/Q2PK0DW9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM149468
PNG
(US8975260, 115)
Show SMILES Cc1cc(Nc2cc(n[nH]c2=O)-c2cccc(N3Cc4cc(sc4C3=O)C(C)(C)C)c2C)no1
Show InChI InChI=1S/C25H25N5O3S/c1-13-9-21(29-33-13)26-18-11-17(27-28-23(18)31)16-7-6-8-19(14(16)2)30-12-15-10-20(25(3,4)5)34-22(15)24(30)32/h6-11H,12H2,1-5H3,(H,28,31)(H,26,27,29)
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n/an/a 18n/an/an/an/a7.5n/a



Genetech, Inc; Gilead Connecticut, 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 Bt...


US Patent US8975260 (2015)


BindingDB Entry DOI: 10.7270/Q2PK0DW9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM149469
PNG
(US8975260, 116)
Show SMILES CC(C)(C)c1cc2CN(C(=O)c2s1)c1nc(ccc1F)-c1cc(Nc2cc([nH]n2)C2CC2)c(=O)[nH]n1
Show InChI InChI=1S/C25H24FN7O2S/c1-25(2,3)19-8-13-11-33(24(35)21(13)36-19)22-14(26)6-7-15(28-22)17-9-18(23(34)32-30-17)27-20-10-16(29-31-20)12-4-5-12/h6-10,12H,4-5,11H2,1-3H3,(H,32,34)(H2,27,29,30,31)
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n/an/a 35n/an/an/an/a7.5n/a



Genetech, Inc; Gilead Connecticut, 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 Bt...


US Patent US8975260 (2015)


BindingDB Entry DOI: 10.7270/Q2PK0DW9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM149470
PNG
(US8975260, 117)
Show SMILES Cc1cc(Nc2cc(n[nH]c2=O)-c2ccc(F)c(n2)N2Cc3cc(sc3C2=O)C(C)(C)C)nn1C
Show InChI InChI=1S/C24H24FN7O2S/c1-12-8-19(30-31(12)5)26-17-10-16(28-29-22(17)33)15-7-6-14(25)21(27-15)32-11-13-9-18(24(2,3)4)35-20(13)23(32)34/h6-10H,11H2,1-5H3,(H,29,33)(H,26,28,30)
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n/an/a 45n/an/an/an/a7.5n/a



Genetech, Inc; Gilead Connecticut, 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 Bt...


US Patent US8975260 (2015)


BindingDB Entry DOI: 10.7270/Q2PK0DW9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM149474
PNG
(US8975260, 121)
Show SMILES CN1CCn2nc(Nc3cc(n[nH]c3=O)-c3cccc(N4Cc5cc(sc5C4=O)C(C)(C)C)c3CO)cc2C1
Show InChI InChI=1S/C28H31N7O3S/c1-28(2,3)23-10-16-13-34(27(38)25(16)39-23)22-7-5-6-18(19(22)15-36)20-12-21(26(37)31-30-20)29-24-11-17-14-33(4)8-9-35(17)32-24/h5-7,10-12,36H,8-9,13-15H2,1-4H3,(H,31,37)(H,29,30,32)
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n/an/a 48n/an/an/an/a7.5n/a



Genetech, Inc; Gilead Connecticut, 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 Bt...


US Patent US8975260 (2015)


BindingDB Entry DOI: 10.7270/Q2PK0DW9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM149473
PNG
(US8975260, 120)
Show SMILES CN1CCn2nc(Nc3cc(nn(C)c3=O)-c3cccc(N4Cc5cc(sc5C4=O)C(C)(C)C)c3CO)cc2C1
Show InChI InChI=1S/C29H33N7O3S/c1-29(2,3)24-11-17-14-35(28(39)26(17)40-24)23-8-6-7-19(20(23)16-37)21-13-22(27(38)34(5)31-21)30-25-12-18-15-33(4)9-10-36(18)32-25/h6-8,11-13,37H,9-10,14-16H2,1-5H3,(H,30,32)
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n/an/a 55n/an/an/an/a7.5n/a



Genetech, Inc; Gilead Connecticut, 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 Bt...


US Patent US8975260 (2015)


BindingDB Entry DOI: 10.7270/Q2PK0DW9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM149471
PNG
(US8975260, 118)
Show SMILES Cc1c(cccc1-c1cc(Nc2nc3CCNCc3s2)c(=O)[nH]n1)N1Cc2cc(sc2C1=O)C(C)(C)C
Show InChI InChI=1S/C27H28N6O2S2/c1-14-16(6-5-7-20(14)33-13-15-10-22(27(2,3)4)37-23(15)25(33)35)18-11-19(24(34)32-31-18)30-26-29-17-8-9-28-12-21(17)36-26/h5-7,10-11,28H,8-9,12-13H2,1-4H3,(H,32,34)(H,29,30,31)
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n/an/a 65n/an/an/an/a7.5n/a



Genetech, Inc; Gilead Connecticut, 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 Bt...


US Patent US8975260 (2015)


BindingDB Entry DOI: 10.7270/Q2PK0DW9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM149463
PNG
(US8975260, 101)
Show SMILES CN1CCn2nc(Nc3cc(n[nH]c3=O)-c3cccc(N4Cc5cc(sc5C4=O)C(C)(C)C)c3C)cc2C1
Show InChI InChI=1S/C28H31N7O2S/c1-16-19(7-6-8-22(16)34-14-17-11-23(28(2,3)4)38-25(17)27(34)37)20-13-21(26(36)31-30-20)29-24-12-18-15-33(5)9-10-35(18)32-24/h6-8,11-13H,9-10,14-15H2,1-5H3,(H,31,36)(H,29,30,32)
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n/an/a 4.00E+3n/an/an/an/a7.5n/a



Genetech, Inc; Gilead Connecticut, 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 Bt...


US Patent US8975260 (2015)


BindingDB Entry DOI: 10.7270/Q2PK0DW9
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%