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Patent code US9458105

Compile Data Set for Download or QSAR
Found 10 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))
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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PC sid
UniChem
US Patent
n/an/a 7.11n/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))
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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US Patent
n/an/a 14.2n/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))
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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US Patent
n/an/a 366n/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))
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/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))
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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US Patent
n/an/a 3.14E+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))
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/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))
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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US Patent
n/an/a 6.91E+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))
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/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))
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/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))
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/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%