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Patent code US9617260

Compile Data Set for Download or QSAR
Found 34 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))		BDBM316842
PNG
(US9617260, Compound 3 | propan-2-yl N- [3-[3-(prop...)
Show SMILES CC(C)OC(=O)Nc1cnc2[nH]cc(-c3cccc(NC(=O)C=C)c3)c2c1
Show InChI InChI=1S/C20H20N4O3/c1-4-18(25)23-14-7-5-6-13(8-14)17-11-22-19-16(17)9-15(10-21-19)24-20(26)27-12(2)3/h4-12H,1H2,2-3H3,(H,21,22)(H,23,25)(H,24,26)
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n/an/a 0.300n/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 (Förster/Fluoresence...

US Patent US9617260 (2017)


BindingDB Entry DOI: 10.7270/Q28W3GCX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM316841
PNG
(US9617260, Compound 2 | benzyl N-[3- [3-(prop-2- e...)
Show SMILES C=CC(=O)Nc1cccc(c1)-c1c[nH]c2ncc(NC(=O)OCc3ccccc3)cc12
Show InChI InChI=1S/C24H20N4O3/c1-2-22(29)27-18-10-6-9-17(11-18)21-14-26-23-20(21)12-19(13-25-23)28-24(30)31-15-16-7-4-3-5-8-16/h2-14H,1,15H2,(H,25,26)(H,27,29)(H,28,30)
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n/an/a 0.300n/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 (Förster/Fluoresence...

US Patent US9617260 (2017)


BindingDB Entry DOI: 10.7270/Q28W3GCX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM316873
PNG
(US9617260, Compound 31 | benzyl N-[3- (1-prop-2- e...)
Show SMILES C=CC(=O)N1CCC(CC1)c1c[nH]c2ncc(NC(=O)OCc3ccccc3)cc12
Show InChI InChI=1S/C23H24N4O3/c1-2-21(28)27-10-8-17(9-11-27)20-14-25-22-19(20)12-18(13-24-22)26-23(29)30-15-16-6-4-3-5-7-16/h2-7,12-14,17H,1,8-11,15H2,(H,24,25)(H,26,29)
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n/an/a 0.600n/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 (Förster/Fluoresence...

US Patent US9617260 (2017)


BindingDB Entry DOI: 10.7270/Q28W3GCX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM316875
PNG
(US9617260, Compound 33 | benzyl N-[3- (1-prop-2- e...)
Show SMILES C=CC(=O)N1CCCC(=C1)c1c[nH]c2ncc(NC(=O)OCc3ccccc3)cc12 |c:8|
Show InChI InChI=1S/C23H22N4O3/c1-2-21(28)27-10-6-9-17(14-27)20-13-25-22-19(20)11-18(12-24-22)26-23(29)30-15-16-7-4-3-5-8-16/h2-5,7-8,11-14H,1,6,9-10,15H2,(H,24,25)(H,26,29)
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n/an/a 0.600n/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 (Förster/Fluoresence...

US Patent US9617260 (2017)


BindingDB Entry DOI: 10.7270/Q28W3GCX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM316872
PNG
(US9617260, Compound 30 | benzyl N-[3- (1-prop-2- e...)
Show SMILES C=CC(=O)N1CCC(=CC1)c1c[nH]c2ncc(NC(=O)OCc3ccccc3)cc12 |c:7|
Show InChI InChI=1S/C23H22N4O3/c1-2-21(28)27-10-8-17(9-11-27)20-14-25-22-19(20)12-18(13-24-22)26-23(29)30-15-16-6-4-3-5-7-16/h2-8,12-14H,1,9-11,15H2,(H,24,25)(H,26,29)
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n/an/a 1.20n/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 (Förster/Fluoresence...

US Patent US9617260 (2017)


BindingDB Entry DOI: 10.7270/Q28W3GCX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM316876
PNG
(US9617260, Compound 34 | benzyl N-[3- (3-hydroxy-1...)
Show SMILES OC1(CN(C1)C(=O)C=C)c1c[nH]c2ncc(NC(=O)OCc3ccccc3)cc12
Show InChI InChI=1S/C21H20N4O4/c1-2-18(26)25-12-21(28,13-25)17-10-23-19-16(17)8-15(9-22-19)24-20(27)29-11-14-6-4-3-5-7-14/h2-10,28H,1,11-13H2,(H,22,23)(H,24,27)
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n/an/a 3.60n/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 (Förster/Fluoresence...

US Patent US9617260 (2017)


BindingDB Entry DOI: 10.7270/Q28W3GCX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM316517
PNG
(US9617260, Compound 1 | benzyl N-[3- [3-[[(E)-4- (...)
Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(c1)-c1c[nH]c2ncc(NC(=O)OCc3ccccc3)cc12
Show InChI InChI=1S/C27H27N5O3/c1-32(2)13-7-12-25(33)30-21-11-6-10-20(14-21)24-17-29-26-23(24)15-22(16-28-26)31-27(34)35-18-19-8-4-3-5-9-19/h3-12,14-17H,13,18H2,1-2H3,(H,28,29)(H,30,33)(H,31,34)/b12-7+
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n/an/a 7n/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 (Förster/Fluoresence...

US Patent US9617260 (2017)


BindingDB Entry DOI: 10.7270/Q28W3GCX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM316843
PNG
(US9617260, Compound 4 | benzyl N-[3- [3-(2- oxobut...)
Show SMILES CCC(=O)C(=O)Nc1cccc(c1)-c1c[nH]c2ncc(NC(=O)OCc3ccccc3)cc12
Show InChI InChI=1S/C25H22N4O4/c1-2-22(30)24(31)28-18-10-6-9-17(11-18)21-14-27-23-20(21)12-19(13-26-23)29-25(32)33-15-16-7-4-3-5-8-16/h3-14H,2,15H2,1H3,(H,26,27)(H,28,31)(H,29,32)
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n/an/a 8n/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 (Förster/Fluoresence...

US Patent US9617260 (2017)


BindingDB Entry DOI: 10.7270/Q28W3GCX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM316844
PNG
(US9617260, Compound 5 | propan-2-yl N- [3-[3-[[(E)...)
Show SMILES CC(C)OC(=O)Nc1cnc2[nH]cc(-c3cccc(NC(=O)\C=C\CN(C)C)c3)c2c1
Show InChI InChI=1S/C23H27N5O3/c1-15(2)31-23(30)27-18-12-19-20(14-25-22(19)24-13-18)16-7-5-8-17(11-16)26-21(29)9-6-10-28(3)4/h5-9,11-15H,10H2,1-4H3,(H,24,25)(H,26,29)(H,27,30)/b9-6+
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n/an/a 13n/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 (Förster/Fluoresence...

US Patent US9617260 (2017)


BindingDB Entry DOI: 10.7270/Q28W3GCX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM316845
PNG
(US9617260, Compound 6 | propan-2-yl N- [3-[3- [met...)
Show SMILES CC(C)OC(=O)Nc1cnc2[nH]cc(-c3cccc(c3)N(C)C(=O)C=C)c2c1
Show InChI InChI=1S/C21H22N4O3/c1-5-19(26)25(4)16-8-6-7-14(9-16)18-12-23-20-17(18)10-15(11-22-20)24-21(27)28-13(2)3/h5-13H,1H2,2-4H3,(H,22,23)(H,24,27)
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n/an/a 24n/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 (Förster/Fluoresence...

US Patent US9617260 (2017)


BindingDB Entry DOI: 10.7270/Q28W3GCX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM316874
PNG
(US9617260, Compound 32 | propan-2-yl N- [3-(1-prop...)
Show SMILES CC(C)OC(=O)Nc1cnc2[nH]cc(C3CCN(CC3)C(=O)C=C)c2c1
Show InChI InChI=1S/C19H24N4O3/c1-4-17(24)23-7-5-13(6-8-23)16-11-21-18-15(16)9-14(10-20-18)22-19(25)26-12(2)3/h4,9-13H,1,5-8H2,2-3H3,(H,20,21)(H,22,25)
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n/an/a 27n/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 (Förster/Fluoresence...

US Patent US9617260 (2017)


BindingDB Entry DOI: 10.7270/Q28W3GCX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM316855
PNG
((2- chlorophenyl) methyl N-[3- [3-(2- oxopropanoyl...)
Show SMILES CC(=O)C(=O)Nc1cccc(c1)-c1c[nH]c2ncc(NC(=O)OCc3ccccc3Cl)cc12
Show InChI InChI=1S/C24H19ClN4O4/c1-14(30)23(31)28-17-7-4-6-15(9-17)20-12-27-22-19(20)10-18(11-26-22)29-24(32)33-13-16-5-2-3-8-21(16)25/h2-12H,13H2,1H3,(H,26,27)(H,28,31)(H,29,32)
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n/an/a 30n/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 (Förster/Fluoresence...

US Patent US9617260 (2017)


BindingDB Entry DOI: 10.7270/Q28W3GCX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM316857
PNG
((3- fluorophenyl) methyl N-[3- [3-(2- oxobutanoyla...)
Show SMILES CCC(=O)C(=O)Nc1cccc(c1)-c1c[nH]c2ncc(NC(=O)OCc3cccc(F)c3)cc12
Show InChI InChI=1S/C25H21FN4O4/c1-2-22(31)24(32)29-18-8-4-6-16(10-18)21-13-28-23-20(21)11-19(12-27-23)30-25(33)34-14-15-5-3-7-17(26)9-15/h3-13H,2,14H2,1H3,(H,27,28)(H,29,32)(H,30,33)
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n/an/a 42n/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 (Förster/Fluoresence...

US Patent US9617260 (2017)


BindingDB Entry DOI: 10.7270/Q28W3GCX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM316858
PNG
((3- fluorophenyl) methyl N-[3- [3-(2- oxopropanoyl...)
Show SMILES CC(=O)C(=O)Nc1cccc(c1)-c1c[nH]c2ncc(NC(=O)OCc3cccc(F)c3)cc12
Show InChI InChI=1S/C24H19FN4O4/c1-14(30)23(31)28-18-7-3-5-16(9-18)21-12-27-22-20(21)10-19(11-26-22)29-24(32)33-13-15-4-2-6-17(25)8-15/h2-12H,13H2,1H3,(H,26,27)(H,28,31)(H,29,32)
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n/an/a 43.7n/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 (Förster/Fluoresence...

US Patent US9617260 (2017)


BindingDB Entry DOI: 10.7270/Q28W3GCX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM316847
PNG
(US9617260, Compound 8 | propan-2-yl N- [3-[3-(2- o...)
Show SMILES CCC(=O)C(=O)Nc1cccc(c1)-c1c[nH]c2ncc(NC(=O)OC(C)C)cc12
Show InChI InChI=1S/C21H22N4O4/c1-4-18(26)20(27)24-14-7-5-6-13(8-14)17-11-23-19-16(17)9-15(10-22-19)25-21(28)29-12(2)3/h5-12H,4H2,1-3H3,(H,22,23)(H,24,27)(H,25,28)
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n/an/a 49n/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 (Förster/Fluoresence...

US Patent US9617260 (2017)


BindingDB Entry DOI: 10.7270/Q28W3GCX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM316856
PNG
((2- chlorophenyl) methyl N-[3- [3-(2- oxobutanoyla...)
Show SMILES CCC(=O)C(=O)Nc1cccc(c1)-c1c[nH]c2ncc(NC(=O)OCc3ccccc3Cl)cc12
Show InChI InChI=1S/C25H21ClN4O4/c1-2-22(31)24(32)29-17-8-5-7-15(10-17)20-13-28-23-19(20)11-18(12-27-23)30-25(33)34-14-16-6-3-4-9-21(16)26/h3-13H,2,14H2,1H3,(H,27,28)(H,29,32)(H,30,33)
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n/an/a 60n/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 (Förster/Fluoresence...

US Patent US9617260 (2017)


BindingDB Entry DOI: 10.7270/Q28W3GCX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM316850
PNG
(US9617260, Compound 9 | benzyl N-[3- [3-[2- (trifl...)
Show SMILES FC(F)(F)C(=C)C(=O)Nc1cccc(c1)-c1c[nH]c2ncc(NC(=O)OCc3ccccc3)cc12
Show InChI InChI=1S/C25H19F3N4O3/c1-15(25(26,27)28)23(33)31-18-9-5-8-17(10-18)21-13-30-22-20(21)11-19(12-29-22)32-24(34)35-14-16-6-3-2-4-7-16/h2-13H,1,14H2,(H,29,30)(H,31,33)(H,32,34)
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n/an/a 72n/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 (Förster/Fluoresence...

US Patent US9617260 (2017)


BindingDB Entry DOI: 10.7270/Q28W3GCX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM316851
PNG
(US9617260, Compound 10 | benzyl N-[3- [3-[(3,3- di...)
Show SMILES CC(C)(C)C(=O)C(=O)Nc1cccc(c1)-c1c[nH]c2ncc(NC(=O)OCc3ccccc3)cc12
Show InChI InChI=1S/C27H26N4O4/c1-27(2,3)23(32)25(33)30-19-11-7-10-18(12-19)22-15-29-24-21(22)13-20(14-28-24)31-26(34)35-16-17-8-5-4-6-9-17/h4-15H,16H2,1-3H3,(H,28,29)(H,30,33)(H,31,34)
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n/an/a 100n/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 (Förster/Fluoresence...

US Patent US9617260 (2017)


BindingDB Entry DOI: 10.7270/Q28W3GCX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM316860
PNG
((3- cyanophenyl) methyl N-[3-[3- (2- oxobutanoylam...)
Show SMILES CCC(=O)C(=O)Nc1cccc(c1)-c1c[nH]c2ncc(NC(=O)OCc3cccc(c3)C#N)cc12
Show InChI InChI=1S/C26H21N5O4/c1-2-23(32)25(33)30-19-8-4-7-18(10-19)22-14-29-24-21(22)11-20(13-28-24)31-26(34)35-15-17-6-3-5-16(9-17)12-27/h3-11,13-14H,2,15H2,1H3,(H,28,29)(H,30,33)(H,31,34)
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n/an/a 114n/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 (Förster/Fluoresence...

US Patent US9617260 (2017)


BindingDB Entry DOI: 10.7270/Q28W3GCX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM316859
PNG
((3- fluorophenyl) methyl N-[3- [3-[2- (trifluorome...)
Show SMILES Fc1cccc(COC(=O)Nc2cnc3[nH]cc(-c4cccc(NC(=O)C(=C)C(F)(F)F)c4)c3c2)c1
Show InChI InChI=1S/C25H18F4N4O3/c1-14(25(27,28)29)23(34)32-18-7-3-5-16(9-18)21-12-31-22-20(21)10-19(11-30-22)33-24(35)36-13-15-4-2-6-17(26)8-15/h2-12H,1,13H2,(H,30,31)(H,32,34)(H,33,35)
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n/an/a 123n/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 (Förster/Fluoresence...

US Patent US9617260 (2017)


BindingDB Entry DOI: 10.7270/Q28W3GCX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM316861
PNG
((3- cyanophenyl) methyl N-[3-[3- (2- oxopropanoyla...)
Show SMILES CC(=O)C(=O)Nc1cccc(c1)-c1c[nH]c2ncc(NC(=O)OCc3cccc(c3)C#N)cc12
Show InChI InChI=1S/C25H19N5O4/c1-15(31)24(32)29-19-7-3-6-18(9-19)22-13-28-23-21(22)10-20(12-27-23)30-25(33)34-14-17-5-2-4-16(8-17)11-26/h2-10,12-13H,14H2,1H3,(H,27,28)(H,29,32)(H,30,33)
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n/an/a 137n/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 (Förster/Fluoresence...

US Patent US9617260 (2017)


BindingDB Entry DOI: 10.7270/Q28W3GCX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM316865
PNG
((2- chlorophenyl) methyl N-[3- [1-(2- oxopropanoyl...)
Show SMILES CC(=O)C(=O)N1CCC(=CC1)c1c[nH]c2ncc(NC(=O)OCc3ccccc3Cl)cc12 |c:8|
Show InChI InChI=1S/C23H21ClN4O4/c1-14(29)22(30)28-8-6-15(7-9-28)19-12-26-21-18(19)10-17(11-25-21)27-23(31)32-13-16-4-2-3-5-20(16)24/h2-6,10-12H,7-9,13H2,1H3,(H,25,26)(H,27,31)
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n/an/a 165n/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 (Förster/Fluoresence...

US Patent US9617260 (2017)


BindingDB Entry DOI: 10.7270/Q28W3GCX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM316852
PNG
(US9617260, Compound 11 | benzyl N-[3- [3-[(3-methy...)
Show SMILES CCC(C)C(=O)C(=O)Nc1cccc(c1)-c1c[nH]c2ncc(NC(=O)OCc3ccccc3)cc12
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n/an/a 206n/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 (Förster/Fluoresence...

US Patent US9617260 (2017)


BindingDB Entry DOI: 10.7270/Q28W3GCX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM316870
PNG
((3- fluorophenyl) methyl N-[3- [1-(2- oxopropanoyl...)
Show SMILES CC(=O)C(=O)N1CCC(=CC1)c1c[nH]c2ncc(NC(=O)OCc3cccc(F)c3)cc12 |c:8|
Show InChI InChI=1S/C23H21FN4O4/c1-14(29)22(30)28-7-5-16(6-8-28)20-12-26-21-19(20)10-18(11-25-21)27-23(31)32-13-15-3-2-4-17(24)9-15/h2-5,9-12H,6-8,13H2,1H3,(H,25,26)(H,27,31)
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n/an/a 210n/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 (Förster/Fluoresence...

US Patent US9617260 (2017)


BindingDB Entry DOI: 10.7270/Q28W3GCX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM316853
PNG
(US9617260, Compound 12 | benzyl N-[3- [3-[(4-methy...)
Show SMILES CC(C)CC(=O)C(=O)Nc1cccc(c1)-c1c[nH]c2ncc(NC(=O)OCc3ccccc3)cc12
Show InChI InChI=1S/C27H26N4O4/c1-17(2)11-24(32)26(33)30-20-10-6-9-19(12-20)23-15-29-25-22(23)13-21(14-28-25)31-27(34)35-16-18-7-4-3-5-8-18/h3-10,12-15,17H,11,16H2,1-2H3,(H,28,29)(H,30,33)(H,31,34)
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n/an/a 285n/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 (Förster/Fluoresence...

US Patent US9617260 (2017)


BindingDB Entry DOI: 10.7270/Q28W3GCX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM316862
PNG
(US9617260, Compound 21 | benzyl N-[3- [3-[(1- cyan...)
Show SMILES O=C(Nc1cnc2[nH]cc(-c3cccc(NC(=O)C4(CC4)C#N)c3)c2c1)OCc1ccccc1
Show InChI InChI=1S/C26H21N5O3/c27-16-26(9-10-26)24(32)30-19-8-4-7-18(11-19)22-14-29-23-21(22)12-20(13-28-23)31-25(33)34-15-17-5-2-1-3-6-17/h1-8,11-14H,9-10,15H2,(H,28,29)(H,30,32)(H,31,33)
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n/an/a 287n/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 (Förster/Fluoresence...

US Patent US9617260 (2017)


BindingDB Entry DOI: 10.7270/Q28W3GCX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM316868
PNG
(US9617260, Compound 27 | benzyl N-[3- [1-(2- oxobu...)
Show SMILES CCC(=O)C(=O)N1CCC(=CC1)c1c[nH]c2ncc(NC(=O)OCc3ccccc3)cc12 |c:9|
Show InChI InChI=1S/C24H24N4O4/c1-2-21(29)23(30)28-10-8-17(9-11-28)20-14-26-22-19(20)12-18(13-25-22)27-24(31)32-15-16-6-4-3-5-7-16/h3-8,12-14H,2,9-11,15H2,1H3,(H,25,26)(H,27,31)
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n/an/a 291n/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 (Förster/Fluoresence...

US Patent US9617260 (2017)


BindingDB Entry DOI: 10.7270/Q28W3GCX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM316854
PNG
(US9617260, Compound 13 | benzyl N-[3- [3-[(2-oxo-2...)
Show SMILES O=C(Nc1cnc2[nH]cc(-c3cccc(NC(=O)C(=O)c4ccccc4)c3)c2c1)OCc1ccccc1
Show InChI InChI=1S/C29H22N4O4/c34-26(20-10-5-2-6-11-20)28(35)32-22-13-7-12-21(14-22)25-17-31-27-24(25)15-23(16-30-27)33-29(36)37-18-19-8-3-1-4-9-19/h1-17H,18H2,(H,30,31)(H,32,35)(H,33,36)
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n/an/a 323n/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 (Förster/Fluoresence...

US Patent US9617260 (2017)


BindingDB Entry DOI: 10.7270/Q28W3GCX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM316864
PNG
(US9617260, Compound 23 | benzyl N-[3- [2-[[(E)-4- ...)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccccc1-c1c[nH]c2ncc(NC(=O)OCc3ccccc3)cc12
Show InChI InChI=1S/C27H27N5O3/c1-32(2)14-8-13-25(33)31-24-12-7-6-11-21(24)23-17-29-26-22(23)15-20(16-28-26)30-27(34)35-18-19-9-4-3-5-10-19/h3-13,15-17H,14,18H2,1-2H3,(H,28,29)(H,30,34)(H,31,33)/b13-8+
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n/an/a 331n/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 (Förster/Fluoresence...

US Patent US9617260 (2017)


BindingDB Entry DOI: 10.7270/Q28W3GCX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM316867
PNG
((3- fluorophenyl) methyl N-[3- [1-(2- oxobutanoyl)...)
Show SMILES CCC(=O)C(=O)N1CCC(=CC1)c1c[nH]c2ncc(NC(=O)OCc3cccc(F)c3)cc12 |c:9|
Show InChI InChI=1S/C24H23FN4O4/c1-2-21(30)23(31)29-8-6-16(7-9-29)20-13-27-22-19(20)11-18(12-26-22)28-24(32)33-14-15-4-3-5-17(25)10-15/h3-6,10-13H,2,7-9,14H2,1H3,(H,26,27)(H,28,32)
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n/an/a 384n/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 (Förster/Fluoresence...

US Patent US9617260 (2017)


BindingDB Entry DOI: 10.7270/Q28W3GCX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM316866
PNG
((2- chlorophenyl) methyl N-[3- [1-(2- oxobutanoyl)...)
Show SMILES CCC(=O)C(=O)N1CCC(=CC1)c1c[nH]c2ncc(NC(=O)OCc3ccccc3Cl)cc12 |c:9|
Show InChI InChI=1S/C24H23ClN4O4/c1-2-21(30)23(31)29-9-7-15(8-10-29)19-13-27-22-18(19)11-17(12-26-22)28-24(32)33-14-16-5-3-4-6-20(16)25/h3-7,11-13H,2,8-10,14H2,1H3,(H,26,27)(H,28,32)
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n/an/a 404n/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 (Förster/Fluoresence...

US Patent US9617260 (2017)


BindingDB Entry DOI: 10.7270/Q28W3GCX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM316863
PNG
(US9617260, Compound 22 | propan-2-yl N- [3-[3-[(2-...)
Show SMILES CC(C)OC(=O)Nc1cnc2[nH]cc(-c3cccc(NC(=O)CC#N)c3)c2c1
Show InChI InChI=1S/C20H19N5O3/c1-12(2)28-20(27)25-15-9-16-17(11-23-19(16)22-10-15)13-4-3-5-14(8-13)24-18(26)6-7-21/h3-5,8-12H,6H2,1-2H3,(H,22,23)(H,24,26)(H,25,27)
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n/an/a 620n/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 (Förster/Fluoresence...

US Patent US9617260 (2017)


BindingDB Entry DOI: 10.7270/Q28W3GCX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM316871
PNG
((3- cyanophenyl) methyl N-[3-[1- (2- oxopropanoyl)...)
Show SMILES CC(=O)C(=O)N1CCC(=CC1)c1c[nH]c2ncc(NC(=O)OCc3cccc(c3)C#N)cc12 |c:8|
Show InChI InChI=1S/C24H21N5O4/c1-15(30)23(31)29-7-5-18(6-8-29)21-13-27-22-20(21)10-19(12-26-22)28-24(32)33-14-17-4-2-3-16(9-17)11-25/h2-5,9-10,12-13H,6-8,14H2,1H3,(H,26,27)(H,28,32)
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n/an/a 700n/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 (Förster/Fluoresence...

US Patent US9617260 (2017)


BindingDB Entry DOI: 10.7270/Q28W3GCX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM316846
PNG
(US9617260, Compound 7 | propan-2-yl N- [3-[3-[3- m...)
Show SMILES COCCC(=O)N(C)c1cccc(c1)-c1c[nH]c2ncc(NC(=O)OC(C)C)cc12
Show InChI InChI=1S/C22H26N4O4/c1-14(2)30-22(28)25-16-11-18-19(13-24-21(18)23-12-16)15-6-5-7-17(10-15)26(3)20(27)8-9-29-4/h5-7,10-14H,8-9H2,1-4H3,(H,23,24)(H,25,28)
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n/an/a 880n/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 (Förster/Fluoresence...

US Patent US9617260 (2017)


BindingDB Entry DOI: 10.7270/Q28W3GCX
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%