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Compile Data Set for Download or QSAR

Found 5658 hits Enz. Inhib. hit(s) with Target = 'btk'   
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))
BDBM235161
PNG
(US9359345, 7)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)N[C@@H]1CCCN(C1)c1nc(C(N)=O)c(Nc2ccccn2)s1
Show InChI InChI=1S/C25H30N6O2S/c1-25(2,3)17-11-9-16(10-12-17)22(33)28-18-7-6-14-31(15-18)24-30-20(21(26)32)23(34-24)29-19-8-4-5-13-27-19/h4-5,8-13,18H,6-7,14-15H2,1-3H3,(H2,26,32)(H,27,29)(H,28,33)/t18-/m1/s1
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n/an/a 470n/an/an/an/a7.1514



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
This BTK competition assay measures compound potency (IC50) for the inactivated state of Bruton's Tyrosine Kinase using FRET (Forster/Fluorescence Re...


US Patent US9359345 (2016)


BindingDB Entry DOI: 10.7270/Q2668C21
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (human))
BDBM235162
PNG
(US9359345, 8)
Show SMILES CS(=O)(=O)N[C@@H]1CCCN(C1)c1nc(C(N)=O)c(Nc2ccccn2)s1
Show InChI InChI=1S/C15H20N6O3S2/c1-26(23,24)20-10-5-4-8-21(9-10)15-19-12(13(16)22)14(25-15)18-11-6-2-3-7-17-11/h2-3,6-7,10,20H,4-5,8-9H2,1H3,(H2,16,22)(H,17,18)/t10-/m1/s1
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n/an/a 5.07E+3n/an/an/an/a7.1514



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
This BTK competition assay measures compound potency (IC50) for the inactivated state of Bruton's Tyrosine Kinase using FRET (Forster/Fluorescence Re...


US Patent US9359345 (2016)


BindingDB Entry DOI: 10.7270/Q2668C21
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (human))
BDBM235163
PNG
(US9359345, 9)
Show SMILES NC(=O)c1nc(sc1Nc1ccccn1)N1CCC[C@H](C1)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C20H22N6O3S2/c21-18(27)17-19(23-16-10-4-5-11-22-16)30-20(24-17)26-12-6-7-14(13-26)25-31(28,29)15-8-2-1-3-9-15/h1-5,8-11,14,25H,6-7,12-13H2,(H2,21,27)(H,22,23)/t14-/m1/s1
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n/an/a 1.61E+3n/an/an/an/a7.1514



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
This BTK competition assay measures compound potency (IC50) for the inactivated state of Bruton's Tyrosine Kinase using FRET (Forster/Fluorescence Re...


US Patent US9359345 (2016)


BindingDB Entry DOI: 10.7270/Q2668C21
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (human))
BDBM235164
PNG
(US9359345, 10)
Show SMILES CC(C)S(=O)(=O)N[C@@H]1CCCN(C1)c1nc(C(N)=O)c(Nc2ccccn2)s1
Show InChI InChI=1S/C17H24N6O3S2/c1-11(2)28(25,26)22-12-6-5-9-23(10-12)17-21-14(15(18)24)16(27-17)20-13-7-3-4-8-19-13/h3-4,7-8,11-12,22H,5-6,9-10H2,1-2H3,(H2,18,24)(H,19,20)/t12-/m1/s1
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n/an/a 5.80E+3n/an/an/an/a7.1514



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
This BTK competition assay measures compound potency (IC50) for the inactivated state of Bruton's Tyrosine Kinase using FRET (Forster/Fluorescence Re...


US Patent US9359345 (2016)


BindingDB Entry DOI: 10.7270/Q2668C21
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (human))
BDBM235165
PNG
(US9359345, 11)
Show SMILES NC(=O)c1nc(sc1Nc1ccccn1)N1CCC[C@H](C1)NC(=O)CNc1cccc(Cl)c1
Show InChI InChI=1S/C22H24ClN7O2S/c23-14-5-3-6-15(11-14)26-12-18(31)27-16-7-4-10-30(13-16)22-29-19(20(24)32)21(33-22)28-17-8-1-2-9-25-17/h1-3,5-6,8-9,11,16,26H,4,7,10,12-13H2,(H2,24,32)(H,25,28)(H,27,31)/t16-/m1/s1
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n/an/a 5.37E+3n/an/an/an/a7.1514



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
This BTK competition assay measures compound potency (IC50) for the inactivated state of Bruton's Tyrosine Kinase using FRET (Forster/Fluorescence Re...


US Patent US9359345 (2016)


BindingDB Entry DOI: 10.7270/Q2668C21
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (human))
BDBM235166
PNG
(US9359345, 12)
Show SMILES CC(=O)N[C@@H]1CCCN(C1)c1nc(C(N)=O)c(Nc2ccccn2)s1
Show InChI InChI=1S/C16H20N6O2S/c1-10(23)19-11-5-4-8-22(9-11)16-21-13(14(17)24)15(25-16)20-12-6-2-3-7-18-12/h2-3,6-7,11H,4-5,8-9H2,1H3,(H2,17,24)(H,18,20)(H,19,23)/t11-/m1/s1
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n/an/a 6.03E+3n/an/an/an/a7.1514



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
This BTK competition assay measures compound potency (IC50) for the inactivated state of Bruton's Tyrosine Kinase using FRET (Forster/Fluorescence Re...


US Patent US9359345 (2016)


BindingDB Entry DOI: 10.7270/Q2668C21
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (human))
BDBM250515
PNG
(US9469644, 1)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)NC1CCCC(C1)Nc1ncnc2[nH]cnc12
Show InChI InChI=1S/C22H28N6O/c1-22(2,3)15-9-7-14(8-10-15)21(29)28-17-6-4-5-16(11-17)27-20-18-19(24-12-23-18)25-13-26-20/h7-10,12-13,16-17H,4-6,11H2,1-3H3,(H,28,29)(H2,23,24,25,26,27)
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n/an/a 9.57E+3n/an/an/an/a7.1514



Hoffmann-La Roche Inc.

US Patent


Assay Description
This BTK competition assay measures compound potency (IC50) for the inactivated state of Bruton's Tyrosine Kinase using FRET (FOrster/Flouresence Res...


US Patent US9469644 (2016)


BindingDB Entry DOI: 10.7270/Q24Q7SXC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (human))
BDBM250516
PNG
(US9469644, 2)
Show SMILES Clc1cccc(CNC(=O)C2CCCC(C2)Nc2ncnc3[nH]cnc23)c1
Show InChI InChI=1S/C19H21ClN6O/c20-14-5-1-3-12(7-14)9-21-19(27)13-4-2-6-15(8-13)26-18-16-17(23-10-22-16)24-11-25-18/h1,3,5,7,10-11,13,15H,2,4,6,8-9H2,(H,21,27)(H2,22,23,24,25,26)
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n/an/a 1.00E+5n/an/an/an/a7.1514



Hoffmann-La Roche Inc.

US Patent


Assay Description
This BTK competition assay measures compound potency (IC50) for the inactivated state of Bruton's Tyrosine Kinase using FRET (FOrster/Flouresence Res...


US Patent US9469644 (2016)


BindingDB Entry DOI: 10.7270/Q24Q7SXC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (human))
BDBM250517
PNG
(US9469644, 3)
Show SMILES Cn1cc(Nc2nc(NC3CCCCC3)c3nc[nH]c3n2)cn1
Show InChI InChI=1S/C15H20N8/c1-23-8-11(7-18-23)20-15-21-13-12(16-9-17-13)14(22-15)19-10-5-3-2-4-6-10/h7-10H,2-6H2,1H3,(H3,16,17,19,20,21,22)
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n/an/a 2.82E+3n/an/an/an/a7.1514



Hoffmann-La Roche Inc.

US Patent


Assay Description
This BTK competition assay measures compound potency (IC50) for the inactivated state of Bruton's Tyrosine Kinase using FRET (FOrster/Flouresence Res...


US Patent US9469644 (2016)


BindingDB Entry DOI: 10.7270/Q24Q7SXC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (human))
BDBM250518
PNG
(US9469644, 4)
Show SMILES CC1CCCC(C1)Nc1nc(Nc2cnn(C)c2)nc2[nH]cnc12
Show InChI InChI=1S/C16H22N8/c1-10-4-3-5-11(6-10)20-15-13-14(18-9-17-13)22-16(23-15)21-12-7-19-24(2)8-12/h7-11H,3-6H2,1-2H3,(H3,17,18,20,21,22,23)
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n/an/a 4.06E+4n/an/an/an/a7.1514



Hoffmann-La Roche Inc.

US Patent


Assay Description
This BTK competition assay measures compound potency (IC50) for the inactivated state of Bruton's Tyrosine Kinase using FRET (FOrster/Flouresence Res...


US Patent US9469644 (2016)


BindingDB Entry DOI: 10.7270/Q24Q7SXC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (human))
BDBM250519
PNG
(US9469644, 5)
Show SMILES Cn1cc(Nc2nc(NC3CCCC(C3)NC(=O)c3ccc(cc3)C(C)(C)C)c3nc[nH]c3n2)cn1
Show InChI InChI=1S/C26H33N9O/c1-26(2,3)17-10-8-16(9-11-17)24(36)31-19-7-5-6-18(12-19)30-23-21-22(28-15-27-21)33-25(34-23)32-20-13-29-35(4)14-20/h8-11,13-15,18-19H,5-7,12H2,1-4H3,(H,31,36)(H3,27,28,30,32,33,34)
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n/an/a 56.9n/an/an/an/a7.1514



Hoffmann-La Roche Inc.

US Patent


Assay Description
This BTK competition assay measures compound potency (IC50) for the inactivated state of Bruton's Tyrosine Kinase using FRET (FOrster/Flouresence Res...


US Patent US9469644 (2016)


BindingDB Entry DOI: 10.7270/Q24Q7SXC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (human))
BDBM250520
PNG
(US9469644, 6)
Show SMILES O=C(NC1CCCC(C1)Nc1ncnc2[nH]cnc12)c1ccccc1
Show InChI InChI=1S/C18H20N6O/c25-18(12-5-2-1-3-6-12)24-14-8-4-7-13(9-14)23-17-15-16(20-10-19-15)21-11-22-17/h1-3,5-6,10-11,13-14H,4,7-9H2,(H,24,25)(H2,19,20,21,22,23)
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n/an/a 45.3n/an/an/an/a7.1514



Hoffmann-La Roche Inc.

US Patent


Assay Description
This BTK competition assay measures compound potency (IC50) for the inactivated state of Bruton's Tyrosine Kinase using FRET (FOrster/Flouresence Res...


US Patent US9469644 (2016)


BindingDB Entry DOI: 10.7270/Q24Q7SXC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (human))
BDBM250521
PNG
(US9469644, 7)
Show SMILES CC(C)(C)OC(=O)NC1CCCC(C1)C(O)=O
Show InChI InChI=1S/C12H21NO4/c1-12(2,3)17-11(16)13-9-6-4-5-8(7-9)10(14)15/h8-9H,4-7H2,1-3H3,(H,13,16)(H,14,15)
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n/an/a 109n/an/an/an/a7.1514



Hoffmann-La Roche Inc.

US Patent


Assay Description
This BTK competition assay measures compound potency (IC50) for the inactivated state of Bruton's Tyrosine Kinase using FRET (FOrster/Flouresence Res...


US Patent US9469644 (2016)


BindingDB Entry DOI: 10.7270/Q24Q7SXC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (human))
BDBM249203
PNG
(US9458105, I-1)
Show SMILES CC(C)(C)c1cc(F)c2c(cnn(Cc3ccc(cc3)-c3cc[nH]c(=O)c3)c2=O)c1
Show InChI InChI=1S/C24H22FN3O2/c1-24(2,3)19-10-18-13-27-28(23(30)22(18)20(25)12-19)14-15-4-6-16(7-5-15)17-8-9-26-21(29)11-17/h4-13H,14H2,1-3H3,(H,26,29)
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n/an/a 3.32E+3n/an/an/an/a7.1514



Hoffmann-La Roche Inc.

US Patent


Assay Description
This BTK competition assay measures compound potency (IC50) for the inactivated state of Bruton's Tyrosine Kinase using FRET (Forster/Fluorescence Re...


US Patent US9458105 (2016)


BindingDB Entry DOI: 10.7270/Q2QN65P0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (human))
BDBM249204
PNG
(US9458105, I-2)
Show SMILES CC(C)(C)c1cc(F)c2c(cnn(Cc3ccc(cc3F)-c3cc[nH]c(=O)c3)c2=O)c1
Show InChI InChI=1S/C24H21F2N3O2/c1-24(2,3)18-8-17-12-28-29(23(31)22(17)20(26)11-18)13-16-5-4-14(9-19(16)25)15-6-7-27-21(30)10-15/h4-12H,13H2,1-3H3,(H,27,30)
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n/an/a 983n/an/an/an/a7.1514



Hoffmann-La Roche Inc.

US Patent


Assay Description
This BTK competition assay measures compound potency (IC50) for the inactivated state of Bruton's Tyrosine Kinase using FRET (Forster/Fluorescence Re...


US Patent US9458105 (2016)


BindingDB Entry DOI: 10.7270/Q2QN65P0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (human))
BDBM249205
PNG
(US9458105, I-3)
Show SMILES CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(-c4cc[nH]c(=O)c4)c3CO)c2=O)c1
Show InChI InChI=1S/C24H22FN3O3/c1-24(2,3)16-9-15-12-27-28(23(31)22(15)19(25)11-16)20-6-4-5-17(18(20)13-29)14-7-8-26-21(30)10-14/h4-12,29H,13H2,1-3H3,(H,26,30)
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n/an/a 366n/an/an/an/a7.1514



Hoffmann-La Roche Inc.

US Patent


Assay Description
This BTK competition assay measures compound potency (IC50) for the inactivated state of Bruton's Tyrosine Kinase using FRET (Forster/Fluorescence Re...


US Patent US9458105 (2016)


BindingDB Entry DOI: 10.7270/Q2QN65P0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (human))
BDBM249206
PNG
(US9458105, I-4)
Show SMILES CC(C)(C)c1cc(F)c2c(cnn(Cc3c(F)cc(cc3F)-c3cc[nH]c(=O)c3)c2=O)c1
Show InChI InChI=1S/C24H20F3N3O2/c1-24(2,3)16-6-15-11-29-30(23(32)22(15)20(27)10-16)12-17-18(25)7-14(8-19(17)26)13-4-5-28-21(31)9-13/h4-11H,12H2,1-3H3,(H,28,31)
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n/an/a 1.33E+4n/an/an/an/a7.1514



Hoffmann-La Roche Inc.

US Patent


Assay Description
This BTK competition assay measures compound potency (IC50) for the inactivated state of Bruton's Tyrosine Kinase using FRET (Forster/Fluorescence Re...


US Patent US9458105 (2016)


BindingDB Entry DOI: 10.7270/Q2QN65P0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (human))
BDBM249207
PNG
(US9458105, I-5)
Show SMILES CC(C)(C)c1cc(F)c2c(cnn(Cc3ccc(cc3CO)-c3cc[nH]c(=O)c3)c2=O)c1
Show InChI InChI=1S/C25H24FN3O3/c1-25(2,3)20-9-18-12-28-29(24(32)23(18)21(26)11-20)13-17-5-4-15(8-19(17)14-30)16-6-7-27-22(31)10-16/h4-12,30H,13-14H2,1-3H3,(H,27,31)
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n/an/a 3.14E+3n/an/an/an/a7.1514



Hoffmann-La Roche Inc.

US Patent


Assay Description
This BTK competition assay measures compound potency (IC50) for the inactivated state of Bruton's Tyrosine Kinase using FRET (Forster/Fluorescence Re...


US Patent US9458105 (2016)


BindingDB Entry DOI: 10.7270/Q2QN65P0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (human))
BDBM249208
PNG
(US9458105, I-6)
Show SMILES Cn1cc(cn1)-c1cc(cc(=O)[nH]1)-c1ccc(Cn2ncc3cc(cc(F)c3c2=O)C(C)(C)C)c(F)c1
Show InChI InChI=1S/C28H25F2N5O2/c1-28(2,3)21-7-19-12-32-35(27(37)26(19)23(30)11-21)15-17-6-5-16(8-22(17)29)18-9-24(33-25(36)10-18)20-13-31-34(4)14-20/h5-14H,15H2,1-4H3,(H,33,36)
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n/an/a 14.2n/an/an/an/a7.1514



Hoffmann-La Roche Inc.

US Patent


Assay Description
This BTK competition assay measures compound potency (IC50) for the inactivated state of Bruton's Tyrosine Kinase using FRET (Forster/Fluorescence Re...


US Patent US9458105 (2016)


BindingDB Entry DOI: 10.7270/Q2QN65P0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (human))
BDBM249209
PNG
(US9458105, I-7)
Show SMILES Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1cc[nH]c(=O)c1
Show InChI InChI=1S/C23H24N2O2/c1-15-19(17-12-13-24-21(26)14-17)6-5-7-20(15)25-22(27)16-8-10-18(11-9-16)23(2,3)4/h5-14H,1-4H3,(H,24,26)(H,25,27)
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n/an/a 6.91E+3n/an/an/an/a7.1514



Hoffmann-La Roche Inc.

US Patent


Assay Description
This BTK competition assay measures compound potency (IC50) for the inactivated state of Bruton's Tyrosine Kinase using FRET (Forster/Fluorescence Re...


US Patent US9458105 (2016)


BindingDB Entry DOI: 10.7270/Q2QN65P0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (human))
BDBM249210
PNG
(US9458105, I-8)
Show SMILES CC(C)(C)c1cc(F)c2c(cnn(Cc3ccc(c(CO)c3)-c3cc[nH]c(=O)c3)c2=O)c1
Show InChI InChI=1S/C25H24FN3O3/c1-25(2,3)19-9-17-12-28-29(24(32)23(17)21(26)11-19)13-15-4-5-20(18(8-15)14-30)16-6-7-27-22(31)10-16/h4-12,30H,13-14H2,1-3H3,(H,27,31)
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n/an/a>1.00E+5n/an/an/an/a7.1514



Hoffmann-La Roche Inc.

US Patent


Assay Description
This BTK competition assay measures compound potency (IC50) for the inactivated state of Bruton's Tyrosine Kinase using FRET (Forster/Fluorescence Re...


US Patent US9458105 (2016)


BindingDB Entry DOI: 10.7270/Q2QN65P0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (human))
BDBM249211
PNG
(US9458105, I-9)
Show SMILES CC(C)(C)c1cc(F)c2c(cnn(Cc3cc(CO)c(cc3F)-c3cc[nH]c(=O)c3)c2=O)c1
Show InChI InChI=1S/C25H23F2N3O3/c1-25(2,3)18-7-15-11-29-30(24(33)23(15)21(27)9-18)12-16-6-17(13-31)19(10-20(16)26)14-4-5-28-22(32)8-14/h4-11,31H,12-13H2,1-3H3,(H,28,32)
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n/an/a 5.23E+4n/an/an/an/a7.1514



Hoffmann-La Roche Inc.

US Patent


Assay Description
This BTK competition assay measures compound potency (IC50) for the inactivated state of Bruton's Tyrosine Kinase using FRET (Forster/Fluorescence Re...


US Patent US9458105 (2016)


BindingDB Entry DOI: 10.7270/Q2QN65P0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (human))
BDBM249212
PNG
(US9458105, I-10)
Show SMILES Cn1cc(cn1)-c1cc(cc(=O)[nH]1)-c1ccc(CN2Cc3cc(sc3C2=O)C(C)(C)C)c(F)c1
Show InChI InChI=1S/C26H25FN4O2S/c1-26(2,3)22-9-18-14-31(25(33)24(18)34-22)13-16-6-5-15(7-20(16)27)17-8-21(29-23(32)10-17)19-11-28-30(4)12-19/h5-12H,13-14H2,1-4H3,(H,29,32)
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n/an/a 7.11n/an/an/an/a7.1514



Hoffmann-La Roche Inc.

US Patent


Assay Description
This BTK competition assay measures compound potency (IC50) for the inactivated state of Bruton's Tyrosine Kinase using FRET (Forster/Fluorescence Re...


US Patent US9458105 (2016)


BindingDB Entry DOI: 10.7270/Q2QN65P0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (human))
BDBM235155
PNG
(US9359345, 1)
Show SMILES NC(=O)c1nc(sc1Nc1ccccn1)N1CCC[C@H](C1)NC(=O)N1Cc2ccccc2C1
Show InChI InChI=1S/C23H25N7O2S/c24-20(31)19-21(27-18-9-3-4-10-25-18)33-23(28-19)29-11-5-8-17(14-29)26-22(32)30-12-15-6-1-2-7-16(15)13-30/h1-4,6-7,9-10,17H,5,8,11-14H2,(H2,24,31)(H,25,27)(H,26,32)/t17-/m1/s1
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n/an/a 254n/an/an/an/a7.1514



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
This BTK competition assay measures compound potency (IC50) for the inactivated state of Bruton's Tyrosine Kinase using FRET (Forster/Fluorescence Re...


US Patent US9359345 (2016)


BindingDB Entry DOI: 10.7270/Q2668C21
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (human))
BDBM263520
PNG
(US9556150, i-8 | [5-amino-1-(2-fluoro-4- phenoxy-p...)
Show SMILES Nc1c(cnn1-c1ccc(Oc2ccccc2)cc1F)C(=O)c1cc2cc(ccc2[nH]1)C(=O)N1CCOCC1
Show InChI InChI=1S/C29H24FN5O4/c30-23-16-21(39-20-4-2-1-3-5-20)7-9-26(23)35-28(31)22(17-32-35)27(36)25-15-19-14-18(6-8-24(19)33-25)29(37)34-10-12-38-13-11-34/h1-9,14-17,33H,10-13,31H2
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n/an/a 14.4n/an/an/an/a7.15n/a



Hoffmann-La Roche Inc.; Chugai Pharmaceutical Co.

US Patent


Assay Description
This BTK competition assay measures compound potency (IC50) for the inactivated state of Bruton's Tyrosine Kinase using FRET (Förster/Fluorescenc...


US Patent US9556150 (2017)

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


(Homo sapiens (human))
BDBM263521
PNG
(US9556150, i-9 | {5-amino-1-[6-(2-fluoro- phenoxy)...)
Show SMILES Nc1c(cnn1-c1ccc(Oc2ccccc2F)nc1)C(=O)c1cc2cc(ccc2[nH]1)C(=O)N1CCOCC1
Show InChI InChI=1S/C28H23FN6O4/c29-21-3-1-2-4-24(21)39-25-8-6-19(15-31-25)35-27(30)20(16-32-35)26(36)23-14-18-13-17(5-7-22(18)33-23)28(37)34-9-11-38-12-10-34/h1-8,13-16,33H,9-12,30H2
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n/an/a 220n/an/an/an/a7.15n/a



Hoffmann-La Roche Inc.; Chugai Pharmaceutical Co.

US Patent


Assay Description
This BTK competition assay measures compound potency (IC50) for the inactivated state of Bruton's Tyrosine Kinase using FRET (Förster/Fluorescenc...


US Patent US9556150 (2017)

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


(Homo sapiens (human))
BDBM263522
PNG
(US9556150, i-10 | {5-amino-1-[6-(2,3-difluoro- phe...)
Show SMILES Nc1c(cnn1-c1ccc(Oc2cccc(F)c2F)nc1)C(=O)c1cc2cc(ccc2[nH]1)C(=O)N1CCOCC1
Show InChI InChI=1S/C28H22F2N6O4/c29-20-2-1-3-23(25(20)30)40-24-7-5-18(14-32-24)36-27(31)19(15-33-36)26(37)22-13-17-12-16(4-6-21(17)34-22)28(38)35-8-10-39-11-9-35/h1-7,12-15,34H,8-11,31H2
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n/an/a 180n/an/an/an/a7.15n/a



Hoffmann-La Roche Inc.; Chugai Pharmaceutical Co.

US Patent


Assay Description
This BTK competition assay measures compound potency (IC50) for the inactivated state of Bruton's Tyrosine Kinase using FRET (Förster/Fluorescenc...


US Patent US9556150 (2017)

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


(Homo sapiens (human))
BDBM263523
PNG
(US9556150, i-11 | {5-amino-1-[2-methyl-4- (pyridin...)
Show SMILES Cc1cc(Oc2ccccn2)ccc1-n1ncc(C(=O)c2cc3cc(ccc3[nH]2)C(=O)N2CCOCC2)c1N
Show InChI InChI=1S/C29H26N6O4/c1-18-14-21(39-26-4-2-3-9-31-26)6-8-25(18)35-28(30)22(17-32-35)27(36)24-16-20-15-19(5-7-23(20)33-24)29(37)34-10-12-38-13-11-34/h2-9,14-17,33H,10-13,30H2,1H3
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n/an/a 200n/an/an/an/a7.15n/a



Hoffmann-La Roche Inc.; Chugai Pharmaceutical Co.

US Patent


Assay Description
This BTK competition assay measures compound potency (IC50) for the inactivated state of Bruton's Tyrosine Kinase using FRET (Förster/Fluorescenc...


US Patent US9556150 (2017)

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


(Homo sapiens (human))
BDBM263524
PNG
(US9556150, i-12 | {5-amino-1-[4-(2,3-difluoro- phe...)
Show SMILES Nc1c(cnn1-c1ccc(Oc2cccc(F)c2F)cc1)C(=O)c1cc2cc(ccc2[nH]1)C(=O)N1CCOCC1
Show InChI InChI=1S/C29H23F2N5O4/c30-22-2-1-3-25(26(22)31)40-20-7-5-19(6-8-20)36-28(32)21(16-33-36)27(37)24-15-18-14-17(4-9-23(18)34-24)29(38)35-10-12-39-13-11-35/h1-9,14-16,34H,10-13,32H2
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n/an/a 13n/an/an/an/a7.15n/a



Hoffmann-La Roche Inc.; Chugai Pharmaceutical Co.

US Patent


Assay Description
This BTK competition assay measures compound potency (IC50) for the inactivated state of Bruton's Tyrosine Kinase using FRET (Förster/Fluorescenc...


US Patent US9556150 (2017)

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


(Homo sapiens (human))
BDBM263525
PNG
(US9556150, i-13 | {5-amino-1-[6-(2,5-difluoro- phe...)
Show SMILES Nc1c(cnn1-c1ccc(Oc2cc(F)ccc2F)nc1)C(=O)c1cc2cc(ccc2[nH]1)C(=O)N1CCOCC1
Show InChI InChI=1S/C28H22F2N6O4/c29-18-2-4-21(30)24(13-18)40-25-6-3-19(14-32-25)36-27(31)20(15-33-36)26(37)23-12-17-11-16(1-5-22(17)34-23)28(38)35-7-9-39-10-8-35/h1-6,11-15,34H,7-10,31H2
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n/an/a 530n/an/an/an/a7.15n/a



Hoffmann-La Roche Inc.; Chugai Pharmaceutical Co.

US Patent


Assay Description
This BTK competition assay measures compound potency (IC50) for the inactivated state of Bruton's Tyrosine Kinase using FRET (Förster/Fluorescenc...


US Patent US9556150 (2017)

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


(Homo sapiens (human))
BDBM263526
PNG
(US9556150, i-14 | [5-amino-1-(2-chloro-4- phenoxy-...)
Show SMILES Nc1c(cnn1-c1ccc(Oc2ccccc2)cc1Cl)C(=O)c1cc2cc(ccc2[nH]1)C(=O)N1CCOCC1
Show InChI InChI=1S/C29H24ClN5O4/c30-23-16-21(39-20-4-2-1-3-5-20)7-9-26(23)35-28(31)22(17-32-35)27(36)25-15-19-14-18(6-8-24(19)33-25)29(37)34-10-12-38-13-11-34/h1-9,14-17,33H,10-13,31H2
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n/an/a 0.460n/an/an/an/a7.15n/a



Hoffmann-La Roche Inc.; Chugai Pharmaceutical Co.

US Patent


Assay Description
This BTK competition assay measures compound potency (IC50) for the inactivated state of Bruton's Tyrosine Kinase using FRET (Förster/Fluorescenc...


US Patent US9556150 (2017)

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


(Homo sapiens (human))
BDBM263527
PNG
(US9556150, i-15 | {5-amino-1-[2-chloro-4-(2- fluor...)
Show SMILES Nc1c(cnn1-c1ccc(Oc2ccccc2F)cc1Cl)C(=O)c1cc2cc(ccc2[nH]1)C(=O)N1CCOCC1
Show InChI InChI=1S/C29H23ClFN5O4/c30-21-15-19(40-26-4-2-1-3-22(26)31)6-8-25(21)36-28(32)20(16-33-36)27(37)24-14-18-13-17(5-7-23(18)34-24)29(38)35-9-11-39-12-10-35/h1-8,13-16,34H,9-12,32H2
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n/an/a 0.820n/an/an/an/a7.15n/a



Hoffmann-La Roche Inc.; Chugai Pharmaceutical Co.

US Patent


Assay Description
This BTK competition assay measures compound potency (IC50) for the inactivated state of Bruton's Tyrosine Kinase using FRET (Förster/Fluorescenc...


US Patent US9556150 (2017)

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


(Homo sapiens (human))
BDBM263528
PNG
((2-{5-amino-1-[4-(3-chloro- phenoxy)-2-methyl-phen...)
Show SMILES Cc1cc(Oc2cccc(Cl)c2)ccc1-n1ncc(C(=O)c2cc3cc(ccc3[nH]2)C(=O)N2CCOCC2)c1N
Show InChI InChI=1S/C30H26ClN5O4/c1-18-13-23(40-22-4-2-3-21(31)16-22)6-8-27(18)36-29(32)24(17-33-36)28(37)26-15-20-14-19(5-7-25(20)34-26)30(38)35-9-11-39-12-10-35/h2-8,13-17,34H,9-12,32H2,1H3
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n/an/a 3.60n/an/an/an/a7.15n/a



Hoffmann-La Roche Inc.; Chugai Pharmaceutical Co.

US Patent


Assay Description
This BTK competition assay measures compound potency (IC50) for the inactivated state of Bruton's Tyrosine Kinase using FRET (Förster/Fluorescenc...


US Patent US9556150 (2017)

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


(Homo sapiens (human))
BDBM263529
PNG
((2-{5-amino-1-[4-(3-bromo- phenoxy)-2-methyl-pheny...)
Show SMILES Cc1cc(Oc2cccc(Br)c2)ccc1-n1ncc(C(=O)c2cc3cc(ccc3[nH]2)C(=O)N2CCOCC2)c1N
Show InChI InChI=1S/C30H26BrN5O4/c1-18-13-23(40-22-4-2-3-21(31)16-22)6-8-27(18)36-29(32)24(17-33-36)28(37)26-15-20-14-19(5-7-25(20)34-26)30(38)35-9-11-39-12-10-35/h2-8,13-17,34H,9-12,32H2,1H3
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n/an/a 3.5n/an/an/an/a7.15n/a



Hoffmann-La Roche Inc.; Chugai Pharmaceutical Co.

US Patent


Assay Description
This BTK competition assay measures compound potency (IC50) for the inactivated state of Bruton's Tyrosine Kinase using FRET (Förster/Fluorescenc...


US Patent US9556150 (2017)

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


(Homo sapiens (human))
BDBM263530
PNG
(3-(4-{5-amino-4-[5- (morpholine-4-carbonyl)-1h- in...)
Show SMILES Cc1cc(Oc2cccc(c2)C#N)ccc1-n1ncc(C(=O)c2cc3cc(ccc3[nH]2)C(=O)N2CCOCC2)c1N
Show InChI InChI=1S/C31H26N6O4/c1-19-13-24(41-23-4-2-3-20(14-23)17-32)6-8-28(19)37-30(33)25(18-34-37)29(38)27-16-22-15-21(5-7-26(22)35-27)31(39)36-9-11-40-12-10-36/h2-8,13-16,18,35H,9-12,33H2,1H3
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n/an/a 5.20n/an/an/an/a7.15n/a



Hoffmann-La Roche Inc.; Chugai Pharmaceutical Co.

US Patent


Assay Description
This BTK competition assay measures compound potency (IC50) for the inactivated state of Bruton's Tyrosine Kinase using FRET (Förster/Fluorescenc...


US Patent US9556150 (2017)

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


(Homo sapiens (human))
BDBM263531
PNG
(US9556150, i-19 | {5-amino-1-[4-(3-tert-butyl- phe...)
Show SMILES Cc1cc(Oc2cccc(c2)C(C)(C)C)ccc1-n1ncc(C(=O)c2cc3cc(ccc3[nH]2)C(=O)N2CCOCC2)c1N
Show InChI InChI=1S/C34H35N5O4/c1-21-16-26(43-25-7-5-6-24(19-25)34(2,3)4)9-11-30(21)39-32(35)27(20-36-39)31(40)29-18-23-17-22(8-10-28(23)37-29)33(41)38-12-14-42-15-13-38/h5-11,16-20,37H,12-15,35H2,1-4H3
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n/an/a 6.80n/an/an/an/a7.15n/a



Hoffmann-La Roche Inc.; Chugai Pharmaceutical Co.

US Patent


Assay Description
This BTK competition assay measures compound potency (IC50) for the inactivated state of Bruton's Tyrosine Kinase using FRET (Förster/Fluorescenc...


US Patent US9556150 (2017)

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


(Homo sapiens (human))
BDBM263532
PNG
(US9556150, i-20 | [5-amino-1-(4-methoxy-2- methyl-...)
Show SMILES COc1ccc(c(C)c1)-n1ncc(C(=O)c2cc3cc(ccc3[nH]2)C(=O)N2CCOCC2)c1N
Show InChI InChI=1S/C25H25N5O4/c1-15-11-18(33-2)4-6-22(15)30-24(26)19(14-27-30)23(31)21-13-17-12-16(3-5-20(17)28-21)25(32)29-7-9-34-10-8-29/h3-6,11-14,28H,7-10,26H2,1-2H3
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n/an/a 150n/an/an/an/a7.15n/a



Hoffmann-La Roche Inc.; Chugai Pharmaceutical Co.

US Patent


Assay Description
This BTK competition assay measures compound potency (IC50) for the inactivated state of Bruton's Tyrosine Kinase using FRET (Förster/Fluorescenc...


US Patent US9556150 (2017)

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


(Homo sapiens (human))
BDBM263533
PNG
(2-{5-amino-4-[5-(morpholine-4- carbonyl)-1h-indole...)
Show SMILES Nc1c(cnn1-c1ccc(Oc2cccc(F)c2F)cc1C#N)C(=O)c1cc2cc(ccc2[nH]1)C(=O)N1CCOCC1
Show InChI InChI=1S/C30H22F2N6O4/c31-22-2-1-3-26(27(22)32)42-20-5-7-25(19(13-20)15-33)38-29(34)21(16-35-38)28(39)24-14-18-12-17(4-6-23(18)36-24)30(40)37-8-10-41-11-9-37/h1-7,12-14,16,36H,8-11,34H2
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n/an/a>1.00E+5n/an/an/an/a7.15n/a



Hoffmann-La Roche Inc.; Chugai Pharmaceutical Co.

US Patent


Assay Description
This BTK competition assay measures compound potency (IC50) for the inactivated state of Bruton's Tyrosine Kinase using FRET (Förster/Fluorescenc...


US Patent US9556150 (2017)

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


(Homo sapiens (human))
BDBM263534
PNG
(US9556150, i-22 | {5-amino-1-[2-bromo-4-(2,3- difl...)
Show SMILES Nc1c(cnn1-c1ccc(Oc2cccc(F)c2F)cc1Br)C(=O)c1cc2cc(ccc2[nH]1)C(=O)N1CCOCC1
Show InChI InChI=1S/C29H22BrF2N5O4/c30-20-14-18(41-25-3-1-2-21(31)26(25)32)5-7-24(20)37-28(33)19(15-34-37)27(38)23-13-17-12-16(4-6-22(17)35-23)29(39)36-8-10-40-11-9-36/h1-7,12-15,35H,8-11,33H2
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n/an/a 1.30n/an/an/an/a7.15n/a



Hoffmann-La Roche Inc.; Chugai Pharmaceutical Co.

US Patent


Assay Description
This BTK competition assay measures compound potency (IC50) for the inactivated state of Bruton's Tyrosine Kinase using FRET (Förster/Fluorescenc...


US Patent US9556150 (2017)

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


(Homo sapiens (human))
BDBM263535
PNG
(7-(2,3-difluoro-phenoxy)-3-[5- (morpholine-4-carbo...)
Show SMILES Fc1cccc(Oc2ccc3c(c2)c(=O)[nH]c2c(cnn32)C(=O)c2cc3cc(ccc3[nH]2)C(=O)N2CCOCC2)c1F
Show InChI InChI=1S/C30H21F2N5O5/c31-21-2-1-3-25(26(21)32)42-18-5-7-24-19(14-18)29(39)35-28-20(15-33-37(24)28)27(38)23-13-17-12-16(4-6-22(17)34-23)30(40)36-8-10-41-11-9-36/h1-7,12-15,34H,8-11H2,(H,35,39)
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n/an/a>1.00E+5n/an/an/an/a7.15n/a



Hoffmann-La Roche Inc.; Chugai Pharmaceutical Co.

US Patent


Assay Description
This BTK competition assay measures compound potency (IC50) for the inactivated state of Bruton's Tyrosine Kinase using FRET (Förster/Fluorescenc...


US Patent US9556150 (2017)

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


(Homo sapiens (human))
BDBM263536
PNG
(US9556150, i-24 | {5-amino-1-[4-(2,3-difluoro- phe...)
Show SMILES Cc1cc(Oc2cccc(F)c2F)cc(C)c1-n1ncc(C(=O)c2cc3cc(ccc3[nH]2)C(=O)N2CCOCC2)c1N
Show InChI InChI=1S/C31H27F2N5O4/c1-17-12-21(42-26-5-3-4-23(32)27(26)33)13-18(2)28(17)38-30(34)22(16-35-38)29(39)25-15-20-14-19(6-7-24(20)36-25)31(40)37-8-10-41-11-9-37/h3-7,12-16,36H,8-11,34H2,1-2H3
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n/an/a 35n/an/an/an/a7.15n/a



Hoffmann-La Roche Inc.; Chugai Pharmaceutical Co.

US Patent


Assay Description
This BTK competition assay measures compound potency (IC50) for the inactivated state of Bruton's Tyrosine Kinase using FRET (Förster/Fluorescenc...


US Patent US9556150 (2017)

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


(Homo sapiens (human))
BDBM263537
PNG
(US9556150, i-25 | {5-amino-1-[6-(2,3-difluoro- phe...)
Show SMILES COc1nc(Oc2cccc(F)c2F)ccc1-n1ncc(C(=O)c2cc3cc(ccc3[nH]2)C(=O)N2CCOCC2)c1N
Show InChI InChI=1S/C29H24F2N6O5/c1-40-28-22(7-8-24(35-28)42-23-4-2-3-19(30)25(23)31)37-27(32)18(15-33-37)26(38)21-14-17-13-16(5-6-20(17)34-21)29(39)36-9-11-41-12-10-36/h2-8,13-15,34H,9-12,32H2,1H3
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n/an/a 74n/an/an/an/a7.15n/a



Hoffmann-La Roche Inc.; Chugai Pharmaceutical Co.

US Patent


Assay Description
This BTK competition assay measures compound potency (IC50) for the inactivated state of Bruton's Tyrosine Kinase using FRET (Förster/Fluorescenc...


US Patent US9556150 (2017)

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


(Homo sapiens (human))
BDBM263538
PNG
(2-{5-amino-1-[4-(2,3-difluoro- phenoxy)-2-methyl-p...)
Show SMILES Cc1cc(Oc2cccc(F)c2F)ccc1-n1ncc(C(=O)c2cc3cc(ccc3[nH]2)C(O)=O)c1N
Show InChI InChI=1S/C26H18F2N4O4/c1-13-9-16(36-22-4-2-3-18(27)23(22)28)6-8-21(13)32-25(29)17(12-30-32)24(33)20-11-15-10-14(26(34)35)5-7-19(15)31-20/h2-12,31H,29H2,1H3,(H,34,35)
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n/an/a 14n/an/an/an/a7.15n/a



Hoffmann-La Roche Inc.; Chugai Pharmaceutical Co.

US Patent


Assay Description
This BTK competition assay measures compound potency (IC50) for the inactivated state of Bruton's Tyrosine Kinase using FRET (Förster/Fluorescenc...


US Patent US9556150 (2017)

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


(Homo sapiens (human))
BDBM263539
PNG
(US9556150, i-27 | {5-amino-1-[4-(4-chloro- benzylo...)
Show SMILES Cc1cc(OCc2ccc(Cl)cc2)ccc1-n1ncc(C(=O)c2cc3cc(ccc3[nH]2)C(=O)N2CCOCC2)c1N
Show InChI InChI=1S/C31H28ClN5O4/c1-19-14-24(41-18-20-2-5-23(32)6-3-20)7-9-28(19)37-30(33)25(17-34-37)29(38)27-16-22-15-21(4-8-26(22)35-27)31(39)36-10-12-40-13-11-36/h2-9,14-17,35H,10-13,18,33H2,1H3
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n/an/a 3.70n/an/an/an/a7.15n/a



Hoffmann-La Roche Inc.; Chugai Pharmaceutical Co.

US Patent


Assay Description
This BTK competition assay measures compound potency (IC50) for the inactivated state of Bruton's Tyrosine Kinase using FRET (Förster/Fluorescenc...


US Patent US9556150 (2017)

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


(Homo sapiens (human))
BDBM263540
PNG
(US9556150, i-28 | {5-amino-1-[4-(2,3-difluoro- phe...)
Show SMILES COc1cc(Oc2cccc(F)c2F)ccc1-n1ncc(C(=O)c2cc3cc(ccc3[nH]2)C(=O)N2CCOCC2)c1N
Show InChI InChI=1S/C30H25F2N5O5/c1-40-26-15-19(42-25-4-2-3-21(31)27(25)32)6-8-24(26)37-29(33)20(16-34-37)28(38)23-14-18-13-17(5-7-22(18)35-23)30(39)36-9-11-41-12-10-36/h2-8,13-16,35H,9-12,33H2,1H3
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n/an/a 6.90n/an/an/an/a7.15n/a



Hoffmann-La Roche Inc.; Chugai Pharmaceutical Co.

US Patent


Assay Description
This BTK competition assay measures compound potency (IC50) for the inactivated state of Bruton's Tyrosine Kinase using FRET (Förster/Fluorescenc...


US Patent US9556150 (2017)

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


(Homo sapiens (human))
BDBM263541
PNG
(US9556150, i-29 | {5-amino-1-[4-(2,3-difluoro- phe...)
Show SMILES Nc1c(cnn1-c1ccc(Oc2cccc(F)c2F)cc1O)C(=O)c1cc2cc(ccc2[nH]1)C(=O)N1CCOCC1
Show InChI InChI=1S/C29H23F2N5O5/c30-20-2-1-3-25(26(20)31)41-18-5-7-23(24(37)14-18)36-28(32)19(15-33-36)27(38)22-13-17-12-16(4-6-21(17)34-22)29(39)35-8-10-40-11-9-35/h1-7,12-15,34,37H,8-11,32H2
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n/an/a 4.30n/an/an/an/a7.15n/a



Hoffmann-La Roche Inc.; Chugai Pharmaceutical Co.

US Patent


Assay Description
This BTK competition assay measures compound potency (IC50) for the inactivated state of Bruton's Tyrosine Kinase using FRET (Förster/Fluorescenc...


US Patent US9556150 (2017)

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


(Homo sapiens (human))
BDBM263542
PNG
(3-(4-{5-amino-4-[5- (morpholine-4-carbonyl)-1h- in...)
Show SMILES Nc1c(cnn1-c1ccc(Oc2cccc(c2)C#N)cc1Cl)C(=O)c1cc2cc(ccc2[nH]1)C(=O)N1CCOCC1
Show InChI InChI=1S/C30H23ClN6O4/c31-24-15-22(41-21-3-1-2-18(12-21)16-32)5-7-27(24)37-29(33)23(17-34-37)28(38)26-14-20-13-19(4-6-25(20)35-26)30(39)36-8-10-40-11-9-36/h1-7,12-15,17,35H,8-11,33H2
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n/an/a 6.10n/an/an/an/a7.15n/a



Hoffmann-La Roche Inc.; Chugai Pharmaceutical Co.

US Patent


Assay Description
This BTK competition assay measures compound potency (IC50) for the inactivated state of Bruton's Tyrosine Kinase using FRET (Förster/Fluorescenc...


US Patent US9556150 (2017)

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


(Homo sapiens (human))
BDBM263543
PNG
(2-{5-amino-1-[4-(3-cyano- phenoxy)-2-methyl-phenyl...)
Show SMILES COC(=O)c1ccc2[nH]c(cc2c1)C(=O)c1cnn(c1N)-c1ccc(Oc2cccc(c2)C#N)cc1C
Show InChI InChI=1S/C28H21N5O4/c1-16-10-21(37-20-5-3-4-17(11-20)14-29)7-9-25(16)33-27(30)22(15-31-33)26(34)24-13-19-12-18(28(35)36-2)6-8-23(19)32-24/h3-13,15,32H,30H2,1-2H3
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n/an/a 29n/an/an/an/a7.15n/a



Hoffmann-La Roche Inc.; Chugai Pharmaceutical Co.

US Patent


Assay Description
This BTK competition assay measures compound potency (IC50) for the inactivated state of Bruton's Tyrosine Kinase using FRET (Förster/Fluorescenc...


US Patent US9556150 (2017)

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


(Homo sapiens (human))
BDBM263544
PNG
(2-{5-amino-1-[4-(3-cyano- phenoxy)-2-methyl-phenyl...)
Show SMILES Cc1cc(Oc2cccc(c2)C#N)ccc1-n1ncc(C(=O)c2cc3cc(ccc3[nH]2)C(O)=O)c1N
Show InChI InChI=1S/C27H19N5O4/c1-15-9-20(36-19-4-2-3-16(10-19)13-28)6-8-24(15)32-26(29)21(14-30-32)25(33)23-12-18-11-17(27(34)35)5-7-22(18)31-23/h2-12,14,31H,29H2,1H3,(H,34,35)
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n/an/a 22n/an/an/an/a7.15n/a



Hoffmann-La Roche Inc.; Chugai Pharmaceutical Co.

US Patent


Assay Description
This BTK competition assay measures compound potency (IC50) for the inactivated state of Bruton's Tyrosine Kinase using FRET (Förster/Fluorescenc...


US Patent US9556150 (2017)

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


(Homo sapiens (human))
BDBM263545
PNG
(3-{4-[5-amino-4-(5-bromo-1h- indole-2-carbonyl)-py...)
Show SMILES Nc1c(cnn1-c1ccc(Oc2cccc(c2)C#N)cc1Cl)C(=O)c1cc2cc(Br)ccc2[nH]1
Show InChI InChI=1S/C25H15BrClN5O2/c26-16-4-6-21-15(9-16)10-22(31-21)24(33)19-13-30-32(25(19)29)23-7-5-18(11-20(23)27)34-17-3-1-2-14(8-17)12-28/h1-11,13,31H,29H2
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n/an/a 430n/an/an/an/a7.15n/a



Hoffmann-La Roche Inc.; Chugai Pharmaceutical Co.

US Patent


Assay Description
This BTK competition assay measures compound potency (IC50) for the inactivated state of Bruton's Tyrosine Kinase using FRET (Förster/Fluorescenc...


US Patent US9556150 (2017)

More data for this
Ligand-Target Pair
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