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Patent code US9556150

Compile Data Set for Download or QSAR
Found 59 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))
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/an/an/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/an/an/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))
BDBM263563
PNG
(2-(4-{5-amino-4-[5-(piperazine- 1-carbonyl)-1h-ind...)
Show SMILES CN(C)C(=O)c1ccccc1Oc1ccc(c(Cl)c1)-n1ncc(C(=O)c2cc3cc(ccc3[nH]2)C(=O)N2CCNCC2)c1N
Show InChI InChI=1S/C32H30ClN7O4/c1-38(2)32(43)22-5-3-4-6-28(22)44-21-8-10-27(24(33)17-21)40-30(34)23(18-36-40)29(41)26-16-20-15-19(7-9-25(20)37-26)31(42)39-13-11-35-12-14-39/h3-10,15-18,35,37H,11-14,34H2,1-2H3
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n/an/a 1.10n/an/an/an/an/an/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))
BDBM263555
PNG
(2-(4-{5-amino-4-[5- (morpholine-4-carbonyl)-1h- in...)
Show SMILES Cc1cc(Oc2ccccc2C#N)ccc1-n1ncc(C(=O)c2cc3cc(ccc3[nH]2)C(=O)N2CCOCC2)c1N
Show InChI InChI=1S/C31H26N6O4/c1-19-14-23(41-28-5-3-2-4-21(28)17-32)7-9-27(19)37-30(33)24(18-34-37)29(38)26-16-22-15-20(6-8-25(22)35-26)31(39)36-10-12-40-13-11-36/h2-9,14-16,18,35H,10-13,33H2,1H3
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n/an/a 1.30n/an/an/an/an/an/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/an/an/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))
BDBM263561
PNG
(2-{5-amino-1-[2-chloro-4-(2- dimethylcarbamoyl-phe...)
Show SMILES CN(C)CCNC(=O)c1ccc2[nH]c(cc2c1)C(=O)c1cnn(c1N)-c1ccc(Oc2ccccc2C(=O)N(C)C)cc1Cl
Show InChI InChI=1S/C32H32ClN7O4/c1-38(2)14-13-35-31(42)19-9-11-25-20(15-19)16-26(37-25)29(41)23-18-36-40(30(23)34)27-12-10-21(17-24(27)33)44-28-8-6-5-7-22(28)32(43)39(3)4/h5-12,15-18,37H,13-14,34H2,1-4H3,(H,35,42)
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n/an/a 1.40n/an/an/an/an/an/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))
BDBM263565
PNG
(2-(4-{5-amino-4-[5-(3- dimethylamino-pyrrolidine-1...)
Show SMILES CNC1CCN(C1)C(=O)c1ccc2[nH]c(cc2c1)C(=O)c1cnn(c1N)-c1ccc(Oc2ccccc2C(=O)N(C)C)cc1Cl
Show InChI InChI=1S/C33H32ClN7O4/c1-36-21-12-13-40(18-21)32(43)19-8-10-26-20(14-19)15-27(38-26)30(42)24-17-37-41(31(24)35)28-11-9-22(16-25(28)34)45-29-7-5-4-6-23(29)33(44)39(2)3/h4-11,14-17,21,36,38H,12-13,18,35H2,1-3H3
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n/an/a 1.70n/an/an/an/an/an/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))
BDBM263557
PNG
(US9556150, i-45 | cyclopropanesulfonic acid (2-{5-...)
Show SMILES Nc1c(cnn1-c1ccc(Oc2cccc(c2)C#N)cc1Cl)C(=O)c1cc2cc(ccc2[nH]1)C(=O)NS(=O)(=O)C1CC1
Show InChI InChI=1S/C29H21ClN6O5S/c30-23-13-20(41-19-3-1-2-16(10-19)14-31)5-9-26(23)36-28(32)22(15-33-36)27(37)25-12-18-11-17(4-8-24(18)34-25)29(38)35-42(39,40)21-6-7-21/h1-5,8-13,15,21,34H,6-7,32H2,(H,35,38)
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n/an/a 1.70n/an/an/an/an/an/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))
BDBM263547
PNG
(2-{5-amino-1-[4-(2,3-difluoro- phenoxy)-2-methyl-p...)
Show SMILES COCCNC(=O)c1ccc2[nH]c(cc2c1)C(=O)c1cnn(c1N)-c1ccc(Oc2cccc(F)c2F)cc1C
Show InChI InChI=1S/C29H25F2N5O4/c1-16-12-19(40-25-5-3-4-21(30)26(25)31)7-9-24(16)36-28(32)20(15-34-36)27(37)23-14-18-13-17(6-8-22(18)35-23)29(38)33-10-11-39-2/h3-9,12-15,35H,10-11,32H2,1-2H3,(H,33,38)
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n/an/a 1.80n/an/an/an/an/an/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))
BDBM263570
PNG
(2-(4-{5-amino-4-[5-(4- methylamino-piperidine-1- c...)
Show SMILES CNC1CCN(CC1)C(=O)c1ccc2[nH]c(cc2c1)C(=O)c1cnn(c1N)-c1ccc(Oc2ccccc2C(=O)N(C)C)cc1Cl
Show InChI InChI=1S/C34H34ClN7O4/c1-37-22-12-14-41(15-13-22)33(44)20-8-10-27-21(16-20)17-28(39-27)31(43)25-19-38-42(32(25)36)29-11-9-23(18-26(29)35)46-30-7-5-4-6-24(30)34(45)40(2)3/h4-11,16-19,22,37,39H,12-15,36H2,1-3H3
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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))
BDBM263517
PNG
(US9556150, i-5 | {5-amino-1-[4-(2,3-difluoro- phen...)
Show SMILES Cc1cc(Oc2cccc(F)c2F)ccc1-n1ncc(C(=O)c2cc3cc(ccc3[nH]2)C(=O)N2CCOCC2)c1N
Show InChI InChI=1S/C30H25F2N5O4/c1-17-13-20(41-26-4-2-3-22(31)27(26)32)6-8-25(17)37-29(33)21(16-34-37)28(38)24-15-19-14-18(5-7-23(19)35-24)30(39)36-9-11-40-12-10-36/h2-8,13-16,35H,9-12,33H2,1H3
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n/an/a 2.30n/an/an/an/an/an/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))
BDBM263562
PNG
(2-{5-amino-1-[2-chloro-4-(2- dimethylcarbamoyl-phe...)
Show SMILES CN(C)C1CCN(C1)C(=O)c1ccc2[nH]c(cc2c1)C(=O)c1cnn(c1N)-c1ccc(Oc2ccccc2C(=O)N(C)C)cc1Cl
Show InChI InChI=1S/C34H34ClN7O4/c1-39(2)22-13-14-41(19-22)33(44)20-9-11-27-21(15-20)16-28(38-27)31(43)25-18-37-42(32(25)36)29-12-10-23(17-26(29)35)46-30-8-6-5-7-24(30)34(45)40(3)4/h5-12,15-18,22,38H,13-14,19,36H2,1-4H3
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n/an/a 2.5n/an/an/an/an/an/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))
BDBM263519
PNG
(US9556150, i-7 | {2-[5-amino-1-(2-methyl-4- phenox...)
Show SMILES Cc1cc(Oc2ccccc2)ccc1-n1ncc(C(=O)c2cc3cc(ccc3[nH]2)C(=O)N2CCOCC2)c1N
Show InChI InChI=1S/C30H27N5O4/c1-19-15-23(39-22-5-3-2-4-6-22)8-10-27(19)35-29(31)24(18-32-35)28(36)26-17-21-16-20(7-9-25(21)33-26)30(37)34-11-13-38-14-12-34/h2-10,15-18,33H,11-14,31H2,1H3
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n/an/a 2.60n/an/an/an/an/an/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))
BDBM263566
PNG
(2-{5-amino-1-[2-chloro-4-(2- dimethylcarbamoyl-phe...)
Show SMILES CN(C)C(=O)c1ccccc1Oc1ccc(c(Cl)c1)-n1ncc(C(=O)c2cc3cc(ccc3[nH]2)C(=O)NC2CCN(C)C2)c1N
Show InChI InChI=1S/C33H32ClN7O4/c1-39(2)33(44)23-6-4-5-7-29(23)45-22-9-11-28(25(34)16-22)41-31(35)24(17-36-41)30(42)27-15-20-14-19(8-10-26(20)38-27)32(43)37-21-12-13-40(3)18-21/h4-11,14-17,21,38H,12-13,18,35H2,1-3H3,(H,37,43)
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n/an/a 2.90n/an/an/an/an/an/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))
BDBM263568
PNG
(2-{5-amino-1-[2-chloro-4-(2- dimethylcarbamoyl-phe...)
Show SMILES CNCCNC(=O)c1ccc2[nH]c(cc2c1)C(=O)c1cnn(c1N)-c1ccc(Oc2ccccc2C(=O)N(C)C)cc1Cl
Show InChI InChI=1S/C31H30ClN7O4/c1-34-12-13-35-30(41)18-8-10-24-19(14-18)15-25(37-24)28(40)22-17-36-39(29(22)33)26-11-9-20(16-23(26)32)43-27-7-5-4-6-21(27)31(42)38(2)3/h4-11,14-17,34,37H,12-13,33H2,1-3H3,(H,35,41)
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n/an/a 3.10n/an/an/an/an/an/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))
BDBM263560
PNG
(2-{5-amino-1-[2-chloro-4-(3- cyano-2-fluoro-phenox...)
Show SMILES Nc1c(cnn1-c1ccc(Oc2cccc(C#N)c2F)cc1Cl)C(=O)c1cc2cc(ccc2[nH]1)C(O)=O
Show InChI InChI=1S/C26H15ClFN5O4/c27-18-10-16(37-22-3-1-2-14(11-29)23(22)28)5-7-21(18)33-25(30)17(12-31-33)24(34)20-9-15-8-13(26(35)36)4-6-19(15)32-20/h1-10,12,32H,30H2,(H,35,36)
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n/an/a 3.20n/an/an/an/an/an/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))
BDBM263569
PNG
(2-(4-{5-amino-4-[5- (morpholine-4-carbonyl)-1h- in...)
Show SMILES CN(C)C(=O)c1ccccc1Oc1ccc(c(Cl)c1)-n1ncc(C(=O)c2cc3cc(ccc3[nH]2)C(=O)N2CCOCC2)c1N
Show InChI InChI=1S/C32H29ClN6O5/c1-37(2)32(42)22-5-3-4-6-28(22)44-21-8-10-27(24(33)17-21)39-30(34)23(18-35-39)29(40)26-16-20-15-19(7-9-25(20)36-26)31(41)38-11-13-43-14-12-38/h3-10,15-18,36H,11-14,34H2,1-2H3
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n/an/a 3.30n/an/an/an/an/an/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/an/an/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/an/an/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/an/an/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))
BDBM263558
PNG
(2-(4-{5-amino-4-[5-(4-methyl- piperazine-1-carbony...)
Show SMILES CN(C)C(=O)c1ccccc1Oc1ccc(c(Cl)c1)-n1ncc(C(=O)c2cc3cc(ccc3[nH]2)C(=O)N2CCN(C)CC2)c1N
Show InChI InChI=1S/C33H32ClN7O4/c1-38(2)33(44)23-6-4-5-7-29(23)45-22-9-11-28(25(34)18-22)41-31(35)24(19-36-41)30(42)27-17-21-16-20(8-10-26(21)37-27)32(43)40-14-12-39(3)13-15-40/h4-11,16-19,37H,12-15,35H2,1-3H3
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n/an/a 4.20n/an/an/an/an/an/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/an/an/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))
BDBM263514
PNG
(US9556150, i-2 | {5-amino-1-[4-(2-fluoro- phenoxy)...)
Show SMILES Cc1cc(Oc2ccccc2F)ccc1-n1ncc(C(=O)c2cc3cc(ccc3[nH]2)C(=O)N2CCOCC2)c1N
Show InChI InChI=1S/C30H26FN5O4/c1-18-14-21(40-27-5-3-2-4-23(27)31)7-9-26(18)36-29(32)22(17-33-36)28(37)25-16-20-15-19(6-8-24(20)34-25)30(38)35-10-12-39-13-11-35/h2-9,14-17,34H,10-13,32H2,1H3
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n/an/a 4.60n/an/an/an/an/an/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))
BDBM263548
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)NCCN)c1N
Show InChI InChI=1S/C29H25N7O3/c1-17-11-22(39-21-4-2-3-18(12-21)15-31)6-8-26(17)36-28(32)23(16-34-36)27(37)25-14-20-13-19(5-7-24(20)35-25)29(38)33-10-9-30/h2-8,11-14,16,35H,9-10,30,32H2,1H3,(H,33,38)
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n/an/a 5n/an/an/an/an/an/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))
BDBM263567
PNG
(US9556150, i-55 | {2-[(2-{5-amino-1-[2-chloro-4- (...)
Show SMILES CN(C)C(=O)c1ccccc1Oc1ccc(c(Cl)c1)-n1ncc(C(=O)c2cc3cc(ccc3[nH]2)C(=O)NCCN(C)C(=O)OC(C)(C)C)c1N
Show InChI InChI=1S/C36H38ClN7O6/c1-36(2,3)50-35(48)43(6)16-15-39-33(46)21-11-13-27-22(17-21)18-28(41-27)31(45)25-20-40-44(32(25)38)29-14-12-23(19-26(29)37)49-30-10-8-7-9-24(30)34(47)42(4)5/h7-14,17-20,41H,15-16,38H2,1-6H3,(H,39,46)
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n/an/a 5.10n/an/an/an/an/an/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/an/an/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/an/an/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/an/an/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))
BDBM263513
PNG
(US9556150, i-1 | [5-amino-1-(4-phenoxy-phenyl)- 1h...)
Show SMILES Nc1c(cnn1-c1ccc(Oc2ccccc2)cc1)C(=O)c1cc2cc(ccc2[nH]1)C(=O)N1CCOCC1
Show InChI InChI=1S/C29H25N5O4/c30-28-24(18-31-34(28)21-7-9-23(10-8-21)38-22-4-2-1-3-5-22)27(35)26-17-20-16-19(6-11-25(20)32-26)29(36)33-12-14-37-15-13-33/h1-11,16-18,32H,12-15,30H2
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n/an/a 6.80n/an/an/an/an/an/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/an/an/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))
BDBM263556
PNG
(3-(4-{5-amino-4-[5-(4-methyl- piperazine-1-carbony...)
Show SMILES CN1CCN(CC1)C(=O)c1ccc2[nH]c(cc2c1)C(=O)c1cnn(c1N)-c1ccc(Oc2cccc(c2)C#N)cc1Cl
Show InChI InChI=1S/C31H26ClN7O3/c1-37-9-11-38(12-10-37)31(41)20-5-7-26-21(14-20)15-27(36-26)29(40)24-18-35-39(30(24)34)28-8-6-23(16-25(28)32)42-22-4-2-3-19(13-22)17-33/h2-8,13-16,18,36H,9-12,34H2,1H3
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n/an/a 8n/an/an/an/an/an/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))
BDBM263571
PNG
(2-{5-amino-1-[2-chloro-4-(2- dimethylcarbamoyl-phe...)
Show SMILES CN(C)C(=O)c1ccccc1Oc1ccc(c(Cl)c1)-n1ncc(C(=O)c2cc3cc(ccc3[nH]2)C(O)=O)c1N
Show InChI InChI=1S/C28H22ClN5O5/c1-33(2)27(36)18-5-3-4-6-24(18)39-17-8-10-23(20(29)13-17)34-26(30)19(14-31-34)25(35)22-12-16-11-15(28(37)38)7-9-21(16)32-22/h3-14,32H,30H2,1-2H3,(H,37,38)
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n/an/a 12n/an/an/an/an/an/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))
BDBM263516
PNG
(US9556150, i-4 | [5-amino-1-(3-fluoro-4- phenoxy-p...)
Show SMILES Nc1c(cnn1-c1ccc(Oc2ccccc2)c(F)c1)C(=O)c1cc2cc(ccc2[nH]1)C(=O)N1CCOCC1
Show InChI InChI=1S/C29H24FN5O4/c30-23-16-20(7-9-26(23)39-21-4-2-1-3-5-21)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 12n/an/an/an/an/an/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/an/an/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/an/an/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))
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/an/an/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))
BDBM263564
PNG
(US9556150, i-52 | [1-(2-{5-amino-1-[2-chloro-4- (2...)
Show SMILES CN(C)C(=O)c1ccccc1Oc1ccc(c(Cl)c1)-n1ncc(C(=O)c2cc3cc(ccc3[nH]2)C(=O)N2CCC(C2)N(C)C(=O)OC(C)(C)C)c1N
Show InChI InChI=1S/C38H40ClN7O6/c1-38(2,3)52-37(50)44(6)24-15-16-45(21-24)35(48)22-11-13-29-23(17-22)18-30(42-29)33(47)27-20-41-46(34(27)40)31-14-12-25(19-28(31)39)51-32-10-8-7-9-26(32)36(49)43(4)5/h7-14,17-20,24,42H,15-16,21,40H2,1-6H3
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n/an/a 17n/an/an/an/an/an/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/an/an/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))
BDBM263552
PNG
(2-{5-amino-1-[4-(3-cyano- phenoxy)-2-methyl-phenyl...)
Show SMILES COCCNC(=O)c1ccc2[nH]c(nc2c1)C(=O)c1cnn(c1N)-c1ccc(Oc2cccc(c2)C#N)cc1C
Show InChI InChI=1S/C29H25N7O4/c1-17-12-21(40-20-5-3-4-18(13-20)15-30)7-9-25(17)36-27(31)22(16-33-36)26(37)28-34-23-8-6-19(14-24(23)35-28)29(38)32-10-11-39-2/h3-9,12-14,16H,10-11,31H2,1-2H3,(H,32,38)(H,34,35)
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n/an/a 23n/an/an/an/an/an/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))
BDBM263551
PNG
(3-(4-{5-amino-4-[5- (morpholine-4-carbonyl)-1h- be...)
Show SMILES Cc1cc(Oc2cccc(c2)C#N)ccc1-n1ncc(C(=O)c2nc3cc(ccc3[nH]2)C(=O)N2CCOCC2)c1N
Show InChI InChI=1S/C30H25N7O4/c1-18-13-22(41-21-4-2-3-19(14-21)16-31)6-8-26(18)37-28(32)23(17-33-37)27(38)29-34-24-7-5-20(15-25(24)35-29)30(39)36-9-11-40-12-10-36/h2-8,13-15,17H,9-12,32H2,1H3,(H,34,35)
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n/an/a 24n/an/an/an/an/an/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))
BDBM263515
PNG
(US9556150, i-3 | [5-amino-1-(4-methyl-6- phenoxy-p...)
Show SMILES Cc1cc(Oc2ccccc2)ncc1-n1ncc(C(=O)c2cc3cc(ccc3[nH]2)C(=O)N2CCOCC2)c1N
Show InChI InChI=1S/C29H26N6O4/c1-18-13-26(39-21-5-3-2-4-6-21)31-17-25(18)35-28(30)22(16-32-35)27(36)24-15-20-14-19(7-8-23(20)33-24)29(37)34-9-11-38-12-10-34/h2-8,13-17,33H,9-12,30H2,1H3
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n/an/a 25n/an/an/an/an/an/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))
BDBM263546
PNG
(2-{5-amino-1-[2-chloro-4-(3- cyano-phenoxy)-phenyl...)
Show SMILES Nc1c(cnn1-c1ccc(Oc2cccc(c2)C#N)cc1Cl)C(=O)c1cc2cc(ccc2[nH]1)C(O)=O
Show InChI InChI=1S/C26H16ClN5O4/c27-20-11-18(36-17-3-1-2-14(8-17)12-28)5-7-23(20)32-25(29)19(13-30-32)24(33)22-10-16-9-15(26(34)35)4-6-21(16)31-22/h1-11,13,31H,29H2,(H,34,35)
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n/an/a 25.1n/an/an/an/an/an/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/an/an/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))
BDBM263559
PNG
(3-(4-{5-amino-4-[5-(4-methyl- piperazine-1-carbony...)
Show SMILES CN(C)C(=O)c1cccc(Oc2ccc(c(Cl)c2)-n2ncc(C(=O)c3cc4cc(ccc4[nH]3)C(=O)N3CCN(C)CC3)c2N)c1
Show InChI InChI=1S/C33H32ClN7O4/c1-38(2)32(43)20-5-4-6-23(16-20)45-24-8-10-29(26(34)18-24)41-31(35)25(19-36-41)30(42)28-17-22-15-21(7-9-27(22)37-28)33(44)40-13-11-39(3)12-14-40/h4-10,15-19,37H,11-14,35H2,1-3H3
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n/an/a 32n/an/an/an/an/an/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/an/an/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))
BDBM263518
PNG
(US9556150, i-6 | {2-[5-amino-1-(5-fluoro-2- methyl...)
Show SMILES Cc1cc(Oc2ccccc2)c(F)cc1-n1ncc(C(=O)c2cc3cc(ccc3[nH]2)C(=O)N2CCOCC2)c1N
Show InChI InChI=1S/C30H26FN5O4/c1-18-13-27(40-21-5-3-2-4-6-21)23(31)16-26(18)36-29(32)22(17-33-36)28(37)25-15-20-14-19(7-8-24(20)34-25)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 43n/an/an/an/an/an/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))
BDBM263549
PNG
(3-(4-{5-amino-4-[5- (morpholine-4-carbonyl)-1h- in...)
Show SMILES NC(=O)c1cccc(Oc2ccc(c(Cl)c2)-n2ncc(C(=O)c3cc4cc(ccc4[nH]3)C(=O)N3CCOCC3)c2N)c1
Show InChI InChI=1S/C30H25ClN6O5/c31-23-15-21(42-20-3-1-2-17(13-20)29(33)39)5-7-26(23)37-28(32)22(16-34-37)27(38)25-14-19-12-18(4-6-24(19)35-25)30(40)36-8-10-41-11-9-36/h1-7,12-16,35H,8-11,32H2,(H2,33,39)
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n/an/a 50n/an/an/an/an/an/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))
BDBM263553
PNG
(2-{5-amino-1-[2-chloro-4-(3- cyano-phenoxy)-phenyl...)
Show SMILES Nc1c(cnn1-c1ccc(Oc2cccc(c2)C#N)cc1Cl)C(=O)c1cc2cc(ccc2[nH]1)C(=O)NC#N
Show InChI InChI=1S/C27H16ClN7O3/c28-21-11-19(38-18-3-1-2-15(8-18)12-29)5-7-24(21)35-26(31)20(13-33-35)25(36)23-10-17-9-16(27(37)32-14-30)4-6-22(17)34-23/h1-11,13,34H,31H2,(H,32,37)
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n/an/a 52n/an/an/an/an/an/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/an/an/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))
BDBM263554
PNG
(2-{5-amino-1-[4-(3-cyano- phenoxy)-2-methyl-phenyl...)
Show SMILES Cc1cc(Oc2cccc(c2)C#N)ccc1-n1ncc(C(=O)c2nc3cc(ccc3[nH]2)C(O)=O)c1N
Show InChI InChI=1S/C26H18N6O4/c1-14-9-18(36-17-4-2-3-15(10-17)12-27)6-8-22(14)32-24(28)19(13-29-32)23(33)25-30-20-7-5-16(26(34)35)11-21(20)31-25/h2-11,13H,28H2,1H3,(H,30,31)(H,34,35)
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n/an/a 130n/an/an/an/an/an/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/an/an/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))
BDBM263550
PNG
(2-{5-amino-1-[4-(3-cyano- phenoxy)-2-methyl-phenyl...)
Show SMILES COC(=O)c1ccc2[nH]c(nc2c1)C(=O)c1cnn(c1N)-c1ccc(Oc2cccc(c2)C#N)cc1C
Show InChI InChI=1S/C27H20N6O4/c1-15-10-19(37-18-5-3-4-16(11-18)13-28)7-9-23(15)33-25(29)20(14-30-33)24(34)26-31-21-8-6-17(27(35)36-2)12-22(21)32-26/h3-12,14H,29H2,1-2H3,(H,31,32)
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n/an/a 150n/an/an/an/an/an/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/an/an/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/an/an/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/an/an/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/an/an/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/an/an/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/an/an/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/an/an/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
* indicates data uncertainty>20%