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Patent code US9718828

Compile Data Set for Download or QSAR

Found 489 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))
BDBM267725
PNG
(4-{8-amino-3-[(3R)-1-acetylpiperidin-3-yl]imidazo[...)
Show SMILES CC1(COC1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2ccc(cn2)C#N)c2c(N)nccn12
Show InChI InChI=1S/C29H28N8O3/c1-29(16-40-17-29)28(39)36-11-2-3-21(15-36)26-35-23(24-25(31)32-10-12-37(24)26)19-5-7-20(8-6-19)27(38)34-22-9-4-18(13-30)14-33-22/h4-10,12,14,21H,2-3,11,15-17H2,1H3,(H2,31,32)(H,33,34,38)/t21-/m1/s1
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MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V.

US Patent


Assay Description
BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...


US Patent US9718828 (2017)

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


(Homo sapiens (human))
BDBM267727
PNG
(4-{8-amino-3-[(3R)-1-{[1-(1-methylethyl)azetidin-3...)
Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCCN(C1)C(=O)c1cnsn1
Show InChI InChI=1S/C27H22F3N9O2S/c28-27(29,30)18-7-8-32-20(12-18)35-25(40)16-5-3-15(4-6-16)21-22-23(31)33-9-11-39(22)24(36-21)17-2-1-10-38(14-17)26(41)19-13-34-42-37-19/h3-9,11-13,17H,1-2,10,14H2,(H2,31,33)(H,32,35,40)/t17-/m1/s1
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MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V.

US Patent


Assay Description
BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...


US Patent US9718828 (2017)

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


(Homo sapiens (human))
BDBM267743
PNG
(4-(8-amino-3-{(3R)-1-[(2S)-2-hydroxypropanoyl] pip...)
Show SMILES C[C@@H](O)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12
Show InChI InChI=1S/C27H26F3N7O3/c1-15(38)26(40)36-11-2-3-18(14-36)24-35-21(22-23(31)33-10-12-37(22)24)16-4-6-17(7-5-16)25(39)34-20-13-19(8-9-32-20)27(28,29)30/h4-10,12-13,15,18,38H,2-3,11,14H2,1H3,(H2,31,33)(H,32,34,39)/t15-,18-/m1/s1
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MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V.

US Patent


Assay Description
BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...


US Patent US9718828 (2017)

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


(Homo sapiens (human))
BDBM267781
PNG
(4-(4-amino-1-{(3R)-1-[(3-methyloxetan-3-yl)carbony...)
Show SMILES Cc1ccnc(NC(=O)c2ccc(cc2)-c2nn([C@@H]3CCCN(C3)C(=O)C3(C)COC3)c3ccnc(N)c23)c1
Show InChI InChI=1S/C29H31N7O3/c1-18-9-11-31-23(14-18)33-27(37)20-7-5-19(6-8-20)25-24-22(10-12-32-26(24)30)36(34-25)21-4-3-13-35(15-21)28(38)29(2)16-39-17-29/h5-12,14,21H,3-4,13,15-17H2,1-2H3,(H2,30,32)(H,31,33,37)/t21-/m1/s1
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MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V.

US Patent


Assay Description
BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...


US Patent US9718828 (2017)

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


(Homo sapiens (human))
BDBM267807
PNG
((2R,5S)-5-[8-amino-1-(4-{[4-(trifluoromethyl)pyrid...)
Show SMILES C[C@H]1CC[C@H](CN1C(=O)C1(C)COC1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(C)(F)F)c2c(N)nccn12
Show InChI InChI=1S/C31H33F2N7O3/c1-18-4-5-21(15-40(18)29(42)30(2)16-43-17-30)27-38-24(25-26(34)36-12-13-39(25)27)19-6-8-20(9-7-19)28(41)37-23-14-22(10-11-35-23)31(3,32)33/h6-14,18,21H,4-5,15-17H2,1-3H3,(H2,34,36)(H,35,37,41)/t18-,21+/m0/s1
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MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V.

US Patent


Assay Description
BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...


US Patent US9718828 (2017)

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


(Homo sapiens (human))
BDBM267810
PNG
(4-{8-amino-3-[(3S,6R)-1-propanoyl-6-(trifluorometh...)
Show SMILES CC1(COC1)C(=O)N1C[C@@H](CC[C@@H]1C(F)F)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12
Show InChI InChI=1S/C30H28F5N7O3/c1-29(14-45-15-29)28(44)42-13-18(6-7-20(42)24(31)32)26-40-22(23-25(36)38-10-11-41(23)26)16-2-4-17(5-3-16)27(43)39-21-12-19(8-9-37-21)30(33,34)35/h2-5,8-12,18,20,24H,6-7,13-15H2,1H3,(H2,36,38)(H,37,39,43)/t18-,20-/m1/s1
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MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V.

US Patent


Assay Description
BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...


US Patent US9718828 (2017)

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


(Homo sapiens (human))
BDBM267815
PNG
(4-{8-amino-3-[(3S,6R)-1-(cyclopropylcarbonyl)-6-(t...)
Show SMILES Cc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@H]3CC[C@@H](N(C3)C(=O)C3CC3)C(F)(F)F)n3ccnc(N)c23)c1
Show InChI InChI=1S/C29H28F3N7O2/c1-16-10-11-34-22(14-16)36-27(40)18-4-2-17(3-5-18)23-24-25(33)35-12-13-38(24)26(37-23)20-8-9-21(29(30,31)32)39(15-20)28(41)19-6-7-19/h2-5,10-14,19-21H,6-9,15H2,1H3,(H2,33,35)(H,34,36,40)/t20-,21+/m0/s1
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MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V.

US Patent


Assay Description
BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...


US Patent US9718828 (2017)

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


(Homo sapiens (human))
BDBM267819
PNG
(4-(8-amino-3-{(3S,6S)-6-(methoxymethyl)-1-[(3-meth...)
Show SMILES COC[C@H]1CC[C@H](CN1C(=O)C1(C)COC1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12
Show InChI InChI=1S/C31H32F3N7O4/c1-30(16-45-17-30)29(43)41-14-20(7-8-22(41)15-44-2)27-39-24(25-26(35)37-11-12-40(25)27)18-3-5-19(6-4-18)28(42)38-23-13-21(9-10-36-23)31(32,33)34/h3-6,9-13,20,22H,7-8,14-17H2,1-2H3,(H2,35,37)(H,36,38,42)/t20-,22-/m1/s1
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MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V.

US Patent


Assay Description
BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...


US Patent US9718828 (2017)

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


(Homo sapiens (human))
BDBM267830
PNG
(4-{8-amino-5-chloro-3-[(3R)-1-(methoxyacetyl) pipe...)
Show SMILES Nc1ncc(Cl)n2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCCN(C1)C=O
Show InChI InChI=1S/C25H21ClF3N7O2/c26-18-11-32-22(30)21-20(34-23(36(18)21)16-2-1-9-35(12-16)13-37)14-3-5-15(6-4-14)24(38)33-19-10-17(7-8-31-19)25(27,28)29/h3-8,10-11,13,16H,1-2,9,12H2,(H2,30,32)(H,31,33,38)/t16-/m1/s1
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MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V.

US Patent


Assay Description
BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...


US Patent US9718828 (2017)

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


(Homo sapiens (human))
BDBM267835
PNG
(4-(8-amino-5-chloro-3-{(3R)-1-[(3-methyloxetan-3-y...)
Show SMILES Cc1ccnc(NC(=O)c2ccc(-c3nc([C@@H]4CCCN(C4)C(=O)C4(C)COC4)n4c(Cl)cnc(N)c34)c(F)c2)c1
Show InChI InChI=1S/C29H29ClFN7O3/c1-16-7-8-33-22(10-16)35-27(39)17-5-6-19(20(31)11-17)23-24-25(32)34-12-21(30)38(24)26(36-23)18-4-3-9-37(13-18)28(40)29(2)14-41-15-29/h5-8,10-12,18H,3-4,9,13-15H2,1-2H3,(H2,32,34)(H,33,35,39)/t18-/m1/s1
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MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V.

US Patent


Assay Description
BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...


US Patent US9718828 (2017)

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


(Homo sapiens (human))
BDBM267844
PNG
(4-(8-amino-5-methyl-3-{(3R)-1-[(3-methyloxetan-3-y...)
Show SMILES Cc1cnc(N)c2c(nc([C@@H]3CCCN(C3)C(=O)C3CC3)n12)-c1ccc(cc1)C(=O)Nc1cc(OC2CC2)ccn1
Show InChI InChI=1S/C31H33N7O3/c1-18-16-34-28(32)27-26(36-29(38(18)27)22-3-2-14-37(17-22)31(40)21-8-9-21)19-4-6-20(7-5-19)30(39)35-25-15-24(12-13-33-25)41-23-10-11-23/h4-7,12-13,15-16,21-23H,2-3,8-11,14,17H2,1H3,(H2,32,34)(H,33,35,39)/t22-/m1/s1
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MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V.

US Patent


Assay Description
BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...


US Patent US9718828 (2017)

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


(Homo sapiens (human))
BDBM267846
PNG
(4-(8-amino-5-methyl-3-{(3R)-1-[(3-methyloxetan-3-y...)
Show SMILES COc1ccnc(NC(=O)c2ccc(-c3nc([C@@H]4CCCN(C4)C(=O)C4(C)COC4)n4c(C)cnc(N)c34)c(F)c2)c1
Show InChI InChI=1S/C30H32FN7O4/c1-17-13-34-26(32)25-24(21-7-6-18(11-22(21)31)28(39)35-23-12-20(41-3)8-9-33-23)36-27(38(17)25)19-5-4-10-37(14-19)29(40)30(2)15-42-16-30/h6-9,11-13,19H,4-5,10,14-16H2,1-3H3,(H2,32,34)(H,33,35,39)/t19-/m1/s1
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MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V.

US Patent


Assay Description
BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...


US Patent US9718828 (2017)

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


(Homo sapiens (human))
BDBM267853
PNG
(4-(8-amino-5-[(1R)-1-hydroxyethyl]-3-{(3R)-1-[(3-m...)
Show SMILES C[C@H](O)c1cnc(N)c2c(nc([C@@H]3CCCN(C3)C(=O)C3(C)COC3)n12)-c1ccc(cc1)C(=O)Nc1cc(ccn1)C(F)(F)F
Show InChI InChI=1S/C31H32F3N7O4/c1-17(42)22-13-37-26(35)25-24(39-27(41(22)25)20-4-3-11-40(14-20)29(44)30(2)15-45-16-30)18-5-7-19(8-6-18)28(43)38-23-12-21(9-10-36-23)31(32,33)34/h5-10,12-13,17,20,42H,3-4,11,14-16H2,1-2H3,(H2,35,37)(H,36,38,43)/t17-,20+/m0/s1
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MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V.

US Patent


Assay Description
BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...


US Patent US9718828 (2017)

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


(Homo sapiens (human))
BDBM267860
PNG
(4-(8-amino-3-{(3R)-1-[(3-methyloxetan-3-yl)carbony...)
Show SMILES CC1(COC1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(C(=O)Nc3cc(ccn3)C(F)(F)F)c(Cl)c2)c2c(N)nccn12
Show InChI InChI=1S/C29H27ClF3N7O3/c1-28(14-43-15-28)27(42)39-9-2-3-17(13-39)25-38-22(23-24(34)36-8-10-40(23)25)16-4-5-19(20(30)11-16)26(41)37-21-12-18(6-7-35-21)29(31,32)33/h4-8,10-12,17H,2-3,9,13-15H2,1H3,(H2,34,36)(H,35,37,41)/t17-/m1/s1
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MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V.

US Patent


Assay Description
BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...


US Patent US9718828 (2017)

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


(Homo sapiens (human))
BDBM267863
PNG
(4-{8-amino-3-[(3R)-1-(3-methoxypropanoyl)piper-idi...)
Show SMILES C[C@H]1CC[C@H](CN1C(=O)C1(C)COC1)c1nc(-c2ccc(C(=O)Nc3cc(ccn3)C(F)(F)F)c(F)c2)c2c(N)nccn12
Show InChI InChI=1S/C30H29F4N7O3/c1-16-3-4-18(13-41(16)28(43)29(2)14-44-15-29)26-39-23(24-25(35)37-9-10-40(24)26)17-5-6-20(21(31)11-17)27(42)38-22-12-19(7-8-36-22)30(32,33)34/h5-12,16,18H,3-4,13-15H2,1-2H3,(H2,35,37)(H,36,38,42)/t16-,18+/m0/s1
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MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V.

US Patent


Assay Description
BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...


US Patent US9718828 (2017)

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


(Homo sapiens (human))
BDBM267864
PNG
(4-(8-amino-3-{(3R,6S)-6-methyl-1-[(3-methyloxetan-...)
Show SMILES COc1cc(ccc1-c1nc([C@@H]2CCCN(C2)C(=O)C2(C)COC2)n2ccnc(N)c12)C(=O)Nc1cc(ccn1)C(F)(F)F
Show InChI InChI=1S/C30H30F3N7O4/c1-29(15-44-16-29)28(42)39-10-3-4-18(14-39)26-38-23(24-25(34)36-9-11-40(24)26)20-6-5-17(12-21(20)43-2)27(41)37-22-13-19(7-8-35-22)30(31,32)33/h5-9,11-13,18H,3-4,10,14-16H2,1-2H3,(H2,34,36)(H,35,37,41)/t18-/m1/s1
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MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V.

US Patent


Assay Description
BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...


US Patent US9718828 (2017)

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


(Homo sapiens (human))
BDBM267869
PNG
(4-(8-amino-3-{(3R)-1-[(3-methyloxetan-3-yl)carbony...)
Show SMILES CC1(COC1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C#N)c2c(N)nccn12
Show InChI InChI=1S/C29H27FN8O3/c1-29(15-41-16-29)28(40)37-9-2-3-19(14-37)26-36-23(24-25(32)34-8-10-38(24)26)20-5-4-18(12-21(20)30)27(39)35-22-11-17(13-31)6-7-33-22/h4-8,10-12,19H,2-3,9,14-16H2,1H3,(H2,32,34)(H,33,35,39)/t19-/m1/s1
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MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V.

US Patent


Assay Description
BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...


US Patent US9718828 (2017)

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


(Homo sapiens (human))
BDBM267871
PNG
(4-(8-amino-3-{(3R)-1-[(3-methyloxetan-3-yl)carbony...)
Show SMILES CC(F)(F)c1ccnc(NC(=O)c2ccc(-c3nc([C@@H]4CCCN(C4)C(=O)C4(C)COC4)n4ccnc(N)c34)c(F)c2)c1
Show InChI InChI=1S/C30H30F3N7O3/c1-29(15-43-16-29)28(42)39-10-3-4-18(14-39)26-38-23(24-25(34)36-9-11-40(24)26)20-6-5-17(12-21(20)31)27(41)37-22-13-19(7-8-35-22)30(2,32)33/h5-9,11-13,18H,3-4,10,14-16H2,1-2H3,(H2,34,36)(H,35,37,41)/t18-/m1/s1
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MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V.

US Patent


Assay Description
BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...


US Patent US9718828 (2017)

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


(Homo sapiens (human))
BDBM267885
PNG
(4-{8-amino-3-[(2R)-4-{[1-(methoxymethyl)cyclobutyl...)
Show SMILES CN1CC(C1)C(=O)N1CCO[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12
Show InChI InChI=1S/C28H27F3N8O3/c1-37-13-18(14-37)27(41)38-10-11-42-20(15-38)25-36-22(23-24(32)34-8-9-39(23)25)16-2-4-17(5-3-16)26(40)35-21-12-19(6-7-33-21)28(29,30)31/h2-9,12,18,20H,10-11,13-15H2,1H3,(H2,32,34)(H,33,35,40)/t20-/m1/s1
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MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V.

US Patent


Assay Description
BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...


US Patent US9718828 (2017)

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


(Homo sapiens (human))
BDBM267898
PNG
(4-(8-amino-3-{(2R)-4-[(3-methyloxetan-3-yl)carbony...)
Show SMILES Cc1cnc(N)c2c(nc([C@H]3CN(CCO3)C(=O)C3(C)COC3)n12)-c1ccc(cc1F)C(=O)Nc1cc(ccn1)C(F)(F)F
Show InChI InChI=1S/C29H27F4N7O4/c1-15-11-36-24(34)23-22(38-25(40(15)23)20-12-39(7-8-44-20)27(42)28(2)13-43-14-28)18-4-3-16(9-19(18)30)26(41)37-21-10-17(5-6-35-21)29(31,32)33/h3-6,9-11,20H,7-8,12-14H2,1-2H3,(H2,34,36)(H,35,37,41)/t20-/m1/s1
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MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V.

US Patent


Assay Description
BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...


US Patent US9718828 (2017)

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


(Homo sapiens (human))
BDBM267902
PNG
(4-{8-amino-3-[(2R)-4-(hydroxyacetyl)morpholin-2-yl...)
Show SMILES CCOCC(=O)N1CCO[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12
Show InChI InChI=1S/C27H26F3N7O4/c1-2-40-15-21(38)36-11-12-41-19(14-36)25-35-22(23-24(31)33-9-10-37(23)25)16-3-5-17(6-4-16)26(39)34-20-13-18(7-8-32-20)27(28,29)30/h3-10,13,19H,2,11-12,14-15H2,1H3,(H2,31,33)(H,32,34,39)/t19-/m1/s1
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MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V.

US Patent


Assay Description
BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...


US Patent US9718828 (2017)

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


(Homo sapiens (human))
BDBM267905
PNG
(4-(8-amino-3-{(2R)-4-[(2R)-2-hydroxypropanoyl]morp...)
Show SMILES COCC(=O)N1CCO[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12
Show InChI InChI=1S/C26H24F3N7O4/c1-39-14-20(37)35-10-11-40-18(13-35)24-34-21(22-23(30)32-8-9-36(22)24)15-2-4-16(5-3-15)25(38)33-19-12-17(6-7-31-19)26(27,28)29/h2-9,12,18H,10-11,13-14H2,1H3,(H2,30,32)(H,31,33,38)/t18-/m1/s1
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MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V.

US Patent


Assay Description
BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...


US Patent US9718828 (2017)

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


(Homo sapiens (human))
BDBM267906
PNG
(4-{8-amino-3-[(2R)-4-(methoxyacetyl)morpholin-2-yl...)
Show SMILES CCN1CCO[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncc(Cl)n12
Show InChI InChI=1S/C25H23ClF3N7O2/c1-2-35-9-10-38-17(13-35)23-34-20(21-22(30)32-12-18(26)36(21)23)14-3-5-15(6-4-14)24(37)33-19-11-16(7-8-31-19)25(27,28)29/h3-8,11-12,17H,2,9-10,13H2,1H3,(H2,30,32)(H,31,33,37)/t17-/m1/s1
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MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V.

US Patent


Assay Description
BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...


US Patent US9718828 (2017)

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


(Homo sapiens (human))
BDBM267907
PNG
(4-{8-amino-5-chloro-3-[(2R)-4-ethylmorpholin-2-yl]...)
Show SMILES C[C@H](O)C(=O)N1CCO[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncc(Cl)n12
Show InChI InChI=1S/C26H23ClF3N7O4/c1-13(38)25(40)36-8-9-41-17(12-36)23-35-20(21-22(31)33-11-18(27)37(21)23)14-2-4-15(5-3-14)24(39)34-19-10-16(6-7-32-19)26(28,29)30/h2-7,10-11,13,17,38H,8-9,12H2,1H3,(H2,31,33)(H,32,34,39)/t13-,17+/m0/s1
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MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V.

US Patent


Assay Description
BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...


US Patent US9718828 (2017)

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


(Homo sapiens (human))
BDBM267933
PNG
(4-(8-amino-3-{(2R,5S)-5-(hydroxymethyl)-4-[(1-meth...)
Show SMILES CCN1C[C@@H](OC[C@@H]1CO)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12
Show InChI InChI=1S/C26H26F3N7O3/c1-2-35-12-19(39-14-18(35)13-37)24-34-21(22-23(30)32-9-10-36(22)24)15-3-5-16(6-4-15)25(38)33-20-11-17(7-8-31-20)26(27,28)29/h3-11,18-19,37H,2,12-14H2,1H3,(H2,30,32)(H,31,33,38)/t18-,19+/m0/s1
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MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V.

US Patent


Assay Description
BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...


US Patent US9718828 (2017)

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


(Homo sapiens (human))
BDBM267934
PNG
(4-{8-amino-3-[(2R,5S)-4-ethyl-5-(hydroxymethyl)mor...)
Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@H]1CN(CCO1)C1COC1
Show InChI InChI=1S/C26H24F3N7O3/c27-26(28,29)17-5-6-31-20(11-17)33-25(37)16-3-1-15(2-4-16)21-22-23(30)32-7-8-36(22)24(34-21)19-12-35(9-10-39-19)18-13-38-14-18/h1-8,11,18-19H,9-10,12-14H2,(H2,30,32)(H,31,33,37)/t19-/m1/s1
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MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V.

US Patent


Assay Description
BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...


US Patent US9718828 (2017)

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


(Homo sapiens (human))
BDBM246399
PNG
(US9446130, 11 | US9718828, Example, 559)
Show SMILES CCn1ncc2[C@@H](CCCc12)n1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncnc12
Show InChI InChI=1S/C27H24F3N9O/c1-2-38-19-4-3-5-20(18(19)13-35-38)39-25-22(24(31)33-14-34-25)23(37-39)15-6-8-16(9-7-15)26(40)36-21-12-17(10-11-32-21)27(28,29)30/h6-14,20H,2-5H2,1H3,(H2,31,33,34)(H,32,36,40)/t20-/m1/s1
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MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V.

US Patent


Assay Description
BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...


US Patent US9718828 (2017)

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


(Homo sapiens (human))
BDBM246402
PNG
(US9446130, 17 | US9718828, Example, 563)
Show SMILES Nc1ncnc2n(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@H]1CCCc2c1cnn2CCO
Show InChI InChI=1S/C27H24F3N9O2/c28-27(29,30)17-8-9-32-21(12-17)36-26(41)16-6-4-15(5-7-16)23-22-24(31)33-14-34-25(22)39(37-23)20-3-1-2-19-18(20)13-35-38(19)10-11-40/h4-9,12-14,20,40H,1-3,10-11H2,(H2,31,33,34)(H,32,36,41)/t20-/m0/s1
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MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V.

US Patent


Assay Description
BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...


US Patent US9718828 (2017)

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


(Homo sapiens (human))
BDBM267961
PNG
(4-{8-amino-3-[(3R)-1-(3-methoxypropanoyl)piperidin...)
Show SMILES Nc1ncc(Br)n2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCCN(C1)C(=O)C1CC1
Show InChI InChI=1S/C28H25BrF3N7O2/c29-20-13-35-24(33)23-22(37-25(39(20)23)18-2-1-11-38(14-18)27(41)17-7-8-17)15-3-5-16(6-4-15)26(40)36-21-12-19(9-10-34-21)28(30,31)32/h3-6,9-10,12-13,17-18H,1-2,7-8,11,14H2,(H2,33,35)(H,34,36,40)/t18-/m1/s1
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MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V.

US Patent


Assay Description
BTK enzymatic activity was determined in an IMAP-FP assay (Immobilized Metal ion Affinity-based fluorescence Polarization; Molecular Devices). Using ...


US Patent US9718828 (2017)

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


(Homo sapiens (human))
BDBM267733
PNG
(4-(8-amino-3-{(3R)-1-[(1-cyanocyclopropyl) carbony...)
Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCCN(C1)C(=O)c1cnccn1
Show InChI InChI=1S/C29H24F3N9O2/c30-29(31,32)20-7-8-36-22(14-20)38-27(42)18-5-3-17(4-6-18)23-24-25(33)37-11-13-41(24)26(39-23)19-2-1-12-40(16-19)28(43)21-15-34-9-10-35-21/h3-11,13-15,19H,1-2,12,16H2,(H2,33,37)(H,36,38,42)/t19-/m1/s1
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MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V.

US Patent


Assay Description
BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...


US Patent US9718828 (2017)

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


(Homo sapiens (human))
BDBM267736
PNG
(4-(8-amino-3-{(3R)-[(3-methyloxetan-3-yl)methyl]pi...)
Show SMILES CCOCC(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12
Show InChI InChI=1S/C28H28F3N7O3/c1-2-41-16-22(39)37-12-3-4-19(15-37)26-36-23(24-25(32)34-11-13-38(24)26)17-5-7-18(8-6-17)27(40)35-21-14-20(9-10-33-21)28(29,30)31/h5-11,13-14,19H,2-4,12,15-16H2,1H3,(H2,32,34)(H,33,35,40)/t19-/m1/s1
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MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V.

US Patent


Assay Description
BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...


US Patent US9718828 (2017)

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


(Homo sapiens (human))
BDBM267740
PNG
(4-(8-amino-3-{(3R)-1-[(1-hydroxycyclopropyl) carbo...)
Show SMILES CCC(O)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12
Show InChI InChI=1S/C28H28F3N7O3/c1-2-20(39)27(41)37-12-3-4-18(15-37)25-36-22(23-24(32)34-11-13-38(23)25)16-5-7-17(8-6-16)26(40)35-21-14-19(9-10-33-21)28(29,30)31/h5-11,13-14,18,20,39H,2-4,12,15H2,1H3,(H2,32,34)(H,33,35,40)/t18-,20?/m1/s1
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MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V.

US Patent


Assay Description
BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...


US Patent US9718828 (2017)

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


(Homo sapiens (human))
BDBM267752
PNG
(4-(8-amino-3-{(3R)-1-[(3-methyloxetan-3-yl)carbony...)
Show SMILES CC1(COC1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2ccc(cn2)C(F)F)c2c(N)nccn12
Show InChI InChI=1S/C29H29F2N7O3/c1-29(15-41-16-29)28(40)37-11-2-3-20(14-37)26-36-22(23-25(32)33-10-12-38(23)26)17-4-6-18(7-5-17)27(39)35-21-9-8-19(13-34-21)24(30)31/h4-10,12-13,20,24H,2-3,11,14-16H2,1H3,(H2,32,33)(H,34,35,39)/t20-/m1/s1
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MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V.

US Patent


Assay Description
BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...


US Patent US9718828 (2017)

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


(Homo sapiens (human))
BDBM267760
PNG
(4-(8-amino-3-{(3R)-1-[(3-methyloxetan-3-yl)carbony...)
Show SMILES Cc1ccc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCN(C3)C(=O)C3(C)COC3)n3ccnc(N)c23)nc1
Show InChI InChI=1S/C29H31N7O3/c1-18-5-10-22(32-14-18)33-27(37)20-8-6-19(7-9-20)23-24-25(30)31-11-13-36(24)26(34-23)21-4-3-12-35(15-21)28(38)29(2)16-39-17-29/h5-11,13-14,21H,3-4,12,15-17H2,1-2H3,(H2,30,31)(H,32,33,37)/t21-/m1/s1
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MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V.

US Patent


Assay Description
BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...


US Patent US9718828 (2017)

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


(Homo sapiens (human))
BDBM267766
PNG
(4-(8-amino-3-{(3R)-1-[(3-methyloxetan-3-yl)carbony...)
Show SMILES CC(C)(C)c1cnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCN(C3)C(=O)C3(C)COC3)n3ccnc(N)c23)s1
Show InChI InChI=1S/C30H35N7O3S/c1-29(2,3)21-14-33-28(41-21)35-26(38)19-9-7-18(8-10-19)22-23-24(31)32-11-13-37(23)25(34-22)20-6-5-12-36(15-20)27(39)30(4)16-40-17-30/h7-11,13-14,20H,5-6,12,15-17H2,1-4H3,(H2,31,32)(H,33,35,38)/t20-/m1/s1
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MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V.

US Patent


Assay Description
BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...


US Patent US9718828 (2017)

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


(Homo sapiens (human))
BDBM267768
PNG
(4-(8-amino-3-{(3R)-1-[(3-methyloxetan-3-yl)carbony...)
Show SMILES CCc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCN(C3)C(=O)C3(O)CC3)n3ccnc(N)c23)c1
Show InChI InChI=1S/C29H31N7O3/c1-2-18-9-12-31-22(16-18)33-27(37)20-7-5-19(6-8-20)23-24-25(30)32-13-15-36(24)26(34-23)21-4-3-14-35(17-21)28(38)29(39)10-11-29/h5-9,12-13,15-16,21,39H,2-4,10-11,14,17H2,1H3,(H2,30,32)(H,31,33,37)/t21-/m1/s1
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MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V.

US Patent


Assay Description
BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...


US Patent US9718828 (2017)

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


(Homo sapiens (human))
BDBM267777
PNG
(4-(4-amino-7-chloro-1-{(3R)-1-[(3-methyloxetan-3-y...)
Show SMILES COCC(=O)N1CCC[C@H](C1)n1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccc12
Show InChI InChI=1S/C27H26F3N7O3/c1-40-15-22(38)36-12-2-3-19(14-36)37-20-9-11-33-25(31)23(20)24(35-37)16-4-6-17(7-5-16)26(39)34-21-13-18(8-10-32-21)27(28,29)30/h4-11,13,19H,2-3,12,14-15H2,1H3,(H2,31,33)(H,32,34,39)/t19-/m1/s1
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MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V.

US Patent


Assay Description
BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...


US Patent US9718828 (2017)

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


(Homo sapiens (human))
BDBM267787
PNG
(4-{8-amino-3-[(3R,6S)-1-(3-methoxypropanoyl)-6-met...)
Show SMILES C[C@H]1CC[C@H](CN1C(=O)C1(C)COC1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12
Show InChI InChI=1S/C30H30F3N7O3/c1-17-3-4-20(14-40(17)28(42)29(2)15-43-16-29)26-38-23(24-25(34)36-11-12-39(24)26)18-5-7-19(8-6-18)27(41)37-22-13-21(9-10-35-22)30(31,32)33/h5-13,17,20H,3-4,14-16H2,1-2H3,(H2,34,36)(H,35,37,41)/t17-,20+/m0/s1
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MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V.

US Patent


Assay Description
BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...


US Patent US9718828 (2017)

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


(Homo sapiens (human))
BDBM267804
PNG
(4-(8-amino-3-{(3R,6S)-6-methyl-1-[(3-methyloxetan-...)
Show SMILES CN1C[C@H](CC[C@@H]1C(F)(F)F)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12
Show InChI InChI=1S/C26H23F6N7O/c1-38-13-16(6-7-18(38)26(30,31)32)23-37-20(21-22(33)35-10-11-39(21)23)14-2-4-15(5-3-14)24(40)36-19-12-17(8-9-34-19)25(27,28)29/h2-5,8-12,16,18H,6-7,13H2,1H3,(H2,33,35)(H,34,36,40)/t16-,18+/m0/s1
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MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V.

US Patent


Assay Description
BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...


US Patent US9718828 (2017)

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


(Homo sapiens (human))
BDBM267742
PNG
(4-(8-amino-3-{(3R)-1-[(2,2-difluorocyclopropyl) ca...)
Show SMILES C[C@H]1CC[C@H](CN1C(=O)C1(C)COC1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)F)c2c(N)nccn12
Show InChI InChI=1S/C30H30F3N7O3/c1-16-3-4-19(13-40(16)29(42)30(2)14-43-15-30)27-38-23(24-26(34)36-9-10-39(24)27)20-6-5-18(11-21(20)31)28(41)37-22-12-17(25(32)33)7-8-35-22/h5-12,16,19,25H,3-4,13-15H2,1-2H3,(H2,34,36)(H,35,37,41)/t16-,19+/m0/s1
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MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V.

US Patent


Assay Description
BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...


US Patent US9718828 (2017)

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


(Homo sapiens (human))
BDBM267837
PNG
(4-[8-amino-5-(methoxymethyl)-3-{(3R)-1-[(3-methylo...)
Show SMILES COCc1cnc(N)c2c(nc([C@@H]3CC[C@H](C)N(C3)C(=O)C3(C)COC3)n12)-c1ccc(cc1)C(=O)Nc1cc(ccn1)C(F)(F)F
Show InChI InChI=1S/C32H34F3N7O4/c1-18-4-5-21(14-41(18)30(44)31(2)16-46-17-31)28-40-25(26-27(36)38-13-23(15-45-3)42(26)28)19-6-8-20(9-7-19)29(43)39-24-12-22(10-11-37-24)32(33,34)35/h6-13,18,21H,4-5,14-17H2,1-3H3,(H2,36,38)(H,37,39,43)/t18-,21+/m0/s1
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MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V.

US Patent


Assay Description
BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...


US Patent US9718828 (2017)

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


(Homo sapiens (human))
BDBM267849
PNG
(4-{3-[(3R,6S)-1-acetyl-6-methylpiperidin-3-yl]-8-a...)
Show SMILES C[C@H]1CC[C@H](CN1C(=O)C1(C)COC1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)F)c2c(N)ncc(C)n12
Show InChI InChI=1S/C31H32F3N7O3/c1-16-4-5-20(13-40(16)30(43)31(3)14-44-15-31)28-39-24(25-27(35)37-12-17(2)41(25)28)21-7-6-19(10-22(21)32)29(42)38-23-11-18(26(33)34)8-9-36-23/h6-12,16,20,26H,4-5,13-15H2,1-3H3,(H2,35,37)(H,36,38,42)/t16-,20+/m0/s1
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MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V.

US Patent


Assay Description
BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...


US Patent US9718828 (2017)

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


(Homo sapiens (human))
BDBM267874
PNG
(4-{3-[(3R)-1-acetylpiperidin-3-yl]-8-aminoimidazo[...)
Show SMILES CCC(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12
Show InChI InChI=1S/C27H25F4N7O2/c1-2-21(39)37-10-3-4-16(14-37)25-36-22(23-24(32)34-9-11-38(23)25)18-6-5-15(12-19(18)28)26(40)35-20-13-17(7-8-33-20)27(29,30)31/h5-9,11-13,16H,2-4,10,14H2,1H3,(H2,32,34)(H,33,35,40)/t16-/m1/s1
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MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V.

US Patent


Assay Description
BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...


US Patent US9718828 (2017)

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


(Homo sapiens (human))
BDBM267894
PNG
(4-(8-amino-5-methyl-3-{(2R)-4-[(1-methyl-1H-pyrazo...)
Show SMILES COCCC(=O)N1CCO[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncc(C)n12
Show InChI InChI=1S/C28H28F3N7O4/c1-16-14-34-25(32)24-23(36-26(38(16)24)20-15-37(10-12-42-20)22(39)8-11-41-2)17-3-5-18(6-4-17)27(40)35-21-13-19(7-9-33-21)28(29,30)31/h3-7,9,13-14,20H,8,10-12,15H2,1-2H3,(H2,32,34)(H,33,35,40)/t20-/m1/s1
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MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V.

US Patent


Assay Description
BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...


US Patent US9718828 (2017)

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


(Homo sapiens (human))
BDBM267896
PNG
(4-{8-amino-3-[(2R)-4-ethylmorpholin-2-yl]-5-methyl...)
Show SMILES Nc1nccn2c(nc(-c3ccc(cc3F)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@H]1CN(CCO1)C(=O)C1CC1
Show InChI InChI=1S/C27H23F4N7O3/c28-18-11-15(25(39)35-20-12-16(5-6-33-20)27(29,30)31)3-4-17(18)21-22-23(32)34-7-8-38(22)24(36-21)19-13-37(9-10-41-19)26(40)14-1-2-14/h3-8,11-12,14,19H,1-2,9-10,13H2,(H2,32,34)(H,33,35,39)/t19-/m1/s1
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MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V.

US Patent


Assay Description
BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...


US Patent US9718828 (2017)

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


(Homo sapiens (human))
BDBM267901
PNG
(4-{8-amino-3-[(2R,5S)-4-(cyclopropylcarbonyl)-5-me...)
Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@H]1CN(CCO1)C(=O)CO
Show InChI InChI=1S/C25H22F3N7O4/c26-25(27,28)16-5-6-30-18(11-16)32-24(38)15-3-1-14(2-4-15)20-21-22(29)31-7-8-35(21)23(33-20)17-12-34(9-10-39-17)19(37)13-36/h1-8,11,17,36H,9-10,12-13H2,(H2,29,31)(H,30,32,38)/t17-/m1/s1
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MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V.

US Patent


Assay Description
BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...


US Patent US9718828 (2017)

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


(Homo sapiens (human))
BDBM267904
PNG
(4-(8-amino-3-{(2R)-4-[(2S)-2-hydroxypropanoyl]morp...)
Show SMILES C[C@@H](O)C(=O)N1CCO[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12
Show InChI InChI=1S/C26H24F3N7O4/c1-14(37)25(39)35-10-11-40-18(13-35)23-34-20(21-22(30)32-8-9-36(21)23)15-2-4-16(5-3-15)24(38)33-19-12-17(6-7-31-19)26(27,28)29/h2-9,12,14,18,37H,10-11,13H2,1H3,(H2,30,32)(H,31,33,38)/t14-,18-/m1/s1
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MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V.

US Patent


Assay Description
BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...


US Patent US9718828 (2017)

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


(Homo sapiens (human))
BDBM267915
PNG
(4-(8-amino-3-{(2S)-4-[(3-methyloxetan-3-yl)carbony...)
Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@H]1CN(CC#N)CCO1
Show InChI InChI=1S/C25H21F3N8O2/c26-25(27,28)17-5-7-31-19(13-17)33-24(37)16-3-1-15(2-4-16)20-21-22(30)32-8-10-36(21)23(34-20)18-14-35(9-6-29)11-12-38-18/h1-5,7-8,10,13,18H,9,11-12,14H2,(H2,30,32)(H,31,33,37)/t18-/m1/s1
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MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V.

US Patent


Assay Description
BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...


US Patent US9718828 (2017)

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


(Homo sapiens (human))
BDBM267930
PNG
(4-(8-amino-3-{(2R)-4-[(methylsulfonyl)acetyl] morp...)
Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@H]1CN[C@@H](CO)CO1
Show InChI InChI=1S/C24H22F3N7O3/c25-24(26,27)15-5-6-29-18(9-15)32-23(36)14-3-1-13(2-4-14)19-20-21(28)30-7-8-34(20)22(33-19)17-10-31-16(11-35)12-37-17/h1-9,16-17,31,35H,10-12H2,(H2,28,30)(H,29,32,36)/t16-,17+/m0/s1
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MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V.

US Patent


Assay Description
BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...


US Patent US9718828 (2017)

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


(Homo sapiens (human))
BDBM267932
PNG
(4-{8-amino-3-[(2S,5R)-5-(hydroxymethyl)morpholin-2...)
Show SMILES Cn1cc(CN2C[C@@H](OC[C@@H]2CO)c2nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c3c(N)nccn23)cn1
Show InChI InChI=1S/C29H28F3N9O3/c1-39-12-17(11-36-39)13-40-14-22(44-16-21(40)15-42)27-38-24(25-26(33)35-8-9-41(25)27)18-2-4-19(5-3-18)28(43)37-23-10-20(6-7-34-23)29(30,31)32/h2-12,21-22,42H,13-16H2,1H3,(H2,33,35)(H,34,37,43)/t21-,22+/m0/s1
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n/an/a<10n/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V.

US Patent


Assay Description
BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...


US Patent US9718828 (2017)

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