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Patent code US9359345

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))
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/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
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/an/an/a



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...


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


(Homo sapiens (human))
BDBM235157
PNG
(US9359345, 3)
Show SMILES CC(C)(C)OC(=O)N[C@@H]1CCCN(C1)c1nc(C(N)=O)c(Nc2ccccn2)s1
Show InChI InChI=1S/C19H26N6O3S/c1-19(2,3)28-18(27)22-12-7-6-10-25(11-12)17-24-14(15(20)26)16(29-17)23-13-8-4-5-9-21-13/h4-5,8-9,12H,6-7,10-11H2,1-3H3,(H2,20,26)(H,21,23)(H,22,27)/t12-/m1/s1
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n/an/a 1.21E+3n/an/an/an/an/an/a



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...


Citation and Details
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/an/an/a



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...


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


(Homo sapiens (human))
BDBM235158
PNG
(US9359345, 4)
Show SMILES CC(C)(C)c1ccc(cn1)C(=O)N[C@@H]1CCCN(C1)c1nc(C(N)=O)c(Nc2ccccn2)s1
Show InChI InChI=1S/C24H29N7O2S/c1-24(2,3)17-10-9-15(13-27-17)21(33)28-16-7-6-12-31(14-16)23-30-19(20(25)32)22(34-23)29-18-8-4-5-11-26-18/h4-5,8-11,13,16H,6-7,12,14H2,1-3H3,(H2,25,32)(H,26,29)(H,28,33)/t16-/m1/s1
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n/an/a 1.73E+3n/an/an/an/an/an/a



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...


Citation and Details
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/an/an/a



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...


Citation and Details
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/an/an/a



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...


Citation and Details
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/an/an/a



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...


Citation and Details
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/an/an/a



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...


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


(Homo sapiens (human))
BDBM235159
PNG
(US9359345, 5)
Show SMILES NC(=O)c1nc(sc1Nc1ccccn1)N1CCC[C@H](C1)NC(=O)Cc1ccccc1
Show InChI InChI=1S/C22H24N6O2S/c23-20(30)19-21(26-17-10-4-5-11-24-17)31-22(27-19)28-12-6-9-16(14-28)25-18(29)13-15-7-2-1-3-8-15/h1-5,7-8,10-11,16H,6,9,12-14H2,(H2,23,30)(H,24,26)(H,25,29)/t16-/m1/s1
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n/an/a 6.24E+3n/an/an/an/an/an/a



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...


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


(Homo sapiens (human))
BDBM235160
PNG
(US9359345, 6)
Show SMILES Cc1cccc(CC(=O)N[C@@H]2CCCN(C2)c2nc(C(N)=O)c(Nc3ccccn3)s2)c1
Show InChI InChI=1S/C23H26N6O2S/c1-15-6-4-7-16(12-15)13-19(30)26-17-8-5-11-29(14-17)23-28-20(21(24)31)22(32-23)27-18-9-2-3-10-25-18/h2-4,6-7,9-10,12,17H,5,8,11,13-14H2,1H3,(H2,24,31)(H,25,27)(H,26,30)/t17-/m1/s1
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n/an/a 7.51E+3n/an/an/an/an/an/a



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...


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


(Homo sapiens (human))
BDBM235156
PNG
(US9359345, 2)
Show SMILES NC(=O)c1nc(sc1Nc1ccccn1)N1CCC[C@H](C1)NC(=O)N1Cc2ccc(Cl)cc2C1
Show InChI InChI=1S/C23H24ClN7O2S/c24-16-7-6-14-11-31(12-15(14)10-16)22(33)27-17-4-3-9-30(13-17)23-29-19(20(25)32)21(34-23)28-18-5-1-2-8-26-18/h1-2,5-8,10,17H,3-4,9,11-13H2,(H2,25,32)(H,26,28)(H,27,33)/t17-/m1/s1
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n/an/a 7.74E+3n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%