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Patent code US10208047

Compile Data Set for Download or QSAR
Found 36 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))
BDBM350159
PNG
((1S,3R)-3-[8-amino-1-(4- {(1R)-1-[3- (difluorometh...)
Show SMILES C[C@@](O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@](C)(C(O)=O)C2(C)C)n2ccnc(N)c12)c1cccc(c1)C(F)F
Show InChI InChI=1S/C30H32F2N4O3/c1-28(2)21(12-13-29(28,3)27(37)38)26-35-22(23-25(33)34-14-15-36(23)26)17-8-10-19(11-9-17)30(4,39)20-7-5-6-18(16-20)24(31)32/h5-11,14-16,21,24,39H,12-13H2,1-4H3,(H2,33,34)(H,37,38)/t21-,29+,30+/m0/s1
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n/an/a 0.780n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

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 US10208047 (2019)

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


(Homo sapiens (Human))
BDBM350168
PNG
((1R,3R,5S,6r)-3-[8-amino- 1-(4-{(1R)-1-hydroxy-1-[...)
Show SMILES C[C@@](O)(c1ccc(cc1)-c1nc([C@H]2C[C@H]3[C@@H](C2)[C@@H]3C(O)=O)n2ccnc(N)c12)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C28H25F3N4O3/c1-27(38,17-3-2-4-18(13-17)28(29,30)31)16-7-5-14(6-8-16)22-23-24(32)33-9-10-35(23)25(34-22)15-11-19-20(12-15)21(19)26(36)37/h2-10,13,15,19-21,38H,11-12H2,1H3,(H2,32,33)(H,36,37)/t15-,19-,20+,21+,27-/m1/s1
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Merck Sharp & Dohme Corp.

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 US10208047 (2019)

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


(Homo sapiens (Human))
BDBM350140
PNG
(4-[8-amino-1-(4-{(1R)-1- hydroxy-1-[3- (trifluorom...)
Show SMILES C[C@@](O)(c1ccc(cc1)-c1nc(n2ccnc(N)c12)C12CCC(CC1)(C2)C(O)=O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C29H27F3N4O3/c1-26(39,19-3-2-4-20(15-19)29(30,31)32)18-7-5-17(6-8-18)21-22-23(33)34-13-14-36(22)24(35-21)27-9-11-28(16-27,12-10-27)25(37)38/h2-8,13-15,39H,9-12,16H2,1H3,(H2,33,34)(H,37,38)/t26-,27?,28?/m1/s1
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Merck Sharp & Dohme Corp.

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 US10208047 (2019)

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


(Homo sapiens (Human))
BDBM350160
PNG
((1S,3R)-3-[8-amino-1-(2- ethoxy-4-{(1S)-1-hydroxy-...)
Show SMILES CCOc1cc(ccc1-c1nc([C@@H]2CC[C@](C)(C(O)=O)C2(C)C)n2ccnc(N)c12)[C@@](C)(O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C32H35F3N4O4/c1-6-43-23-17-19(31(5,42)18-8-7-9-20(16-18)32(33,34)35)10-11-21(23)24-25-26(36)37-14-15-39(25)27(38-24)22-12-13-30(4,28(40)41)29(22,2)3/h7-11,14-17,22,42H,6,12-13H2,1-5H3,(H2,36,37)(H,40,41)/t22-,30+,31-/m0/s1
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n/an/a 1.20n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

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 US10208047 (2019)

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


(Homo sapiens (Human))
BDBM350166
PNG
((1S,3R)-3-[8-amino-1-(4- {(1R)-1-[3- (difluorometh...)
Show SMILES C[C@@](O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@](C)(C(O)=O)C2(C)C)n2c(F)cnc(N)c12)c1cccc(c1)C(F)F
Show InChI InChI=1S/C30H31F3N4O3/c1-28(2)20(12-13-29(28,3)27(38)39)26-36-22(23-25(34)35-15-21(31)37(23)26)16-8-10-18(11-9-16)30(4,40)19-7-5-6-17(14-19)24(32)33/h5-11,14-15,20,24,40H,12-13H2,1-4H3,(H2,34,35)(H,38,39)/t20-,29+,30+/m0/s1
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n/an/a 2.40n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

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 US10208047 (2019)

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


(Homo sapiens (Human))
BDBM350161
PNG
((1S,3R)-3-[8-amino-5- chloro-1-(4-{(1R)-1-[3- (dif...)
Show SMILES CC(C)[C@@]1(CC[C@H](C1)c1nc(-c2ccc(cc2)[C@@](C)(O)c2cccc(c2)C(F)F)c2c(N)ncc(Cl)n12)C(O)=O
Show InChI InChI=1S/C30H31ClF2N4O3/c1-16(2)30(28(38)39)12-11-19(14-30)27-36-23(24-26(34)35-15-22(31)37(24)27)17-7-9-20(10-8-17)29(3,40)21-6-4-5-18(13-21)25(32)33/h4-10,13,15-16,19,25,40H,11-12,14H2,1-3H3,(H2,34,35)(H,38,39)/t19-,29-,30+/m1/s1
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Merck Sharp & Dohme Corp.

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 US10208047 (2019)

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


(Homo sapiens (Human))
BDBM350151
PNG
(4-(8-amino-1-{2-ethoxy-4- [1-hydroxy-1-(3- methylp...)
Show SMILES CCOc1cc(ccc1-c1nc(n2ccnc(N)c12)C12CCC(CC1)(CC2)C(O)=O)C(C)(O)c1cccc(C)c1
Show InChI InChI=1S/C32H36N4O4/c1-4-40-24-19-22(30(3,39)21-7-5-6-20(2)18-21)8-9-23(24)25-26-27(33)34-16-17-36(26)28(35-25)31-10-13-32(14-11-31,15-12-31)29(37)38/h5-9,16-19,39H,4,10-15H2,1-3H3,(H2,33,34)(H,37,38)
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Merck Sharp & Dohme Corp.

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 US10208047 (2019)

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


(Homo sapiens (Human))
BDBM350143
PNG
((1S,3R)-3-[8-amino-1-(4- {(1R)-1-hydroxy-1-[3- (tr...)
Show SMILES C[C@@](O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@](C)(C(O)=O)C2(C)C)n2ccnc(N)c12)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C30H31F3N4O3/c1-27(2)21(12-13-28(27,3)26(38)39)25-36-22(23-24(34)35-14-15-37(23)25)17-8-10-18(11-9-17)29(4,40)19-6-5-7-20(16-19)30(31,32)33/h5-11,14-16,21,40H,12-13H2,1-4H3,(H2,34,35)(H,38,39)/t21-,28+,29+/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

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 US10208047 (2019)

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


(Homo sapiens (Human))
BDBM350134
PNG
(4-[8-amino-1-(4-{(1S)-1- hydroxy-1-[3- (trifluorom...)
Show SMILES C[C@](O)(c1ccc(cc1)-c1nc(n2ccnc(N)c12)C12CCC(CC1)(CC2)C(O)=O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C30H29F3N4O3/c1-27(40,20-3-2-4-21(17-20)30(31,32)33)19-7-5-18(6-8-19)22-23-24(34)35-15-16-37(23)25(36-22)28-9-12-29(13-10-28,14-11-28)26(38)39/h2-8,15-17,40H,9-14H2,1H3,(H2,34,35)(H,38,39)/t27-,28?,29?/m0/s1
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Merck Sharp & Dohme Corp.

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 US10208047 (2019)

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


(Homo sapiens (Human))
BDBM350154
PNG
(5-[8-amino-1-(4-{(1R)-1- hydroxy-1-[3- (trifluorom...)
Show SMILES C[C@@](O)(c1ccc(cc1)-c1nc(n2ccnc(N)c12)C12CCC(CC1)(C1CC21)C(O)=O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C31H29F3N4O3/c1-28(41,19-3-2-4-20(15-19)31(32,33)34)18-7-5-17(6-8-18)23-24-25(35)36-13-14-38(24)26(37-23)29-9-11-30(12-10-29,27(39)40)22-16-21(22)29/h2-8,13-15,21-22,41H,9-12,16H2,1H3,(H2,35,36)(H,39,40)/t21?,22?,28-,29?,30?/m1/s1
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Merck Sharp & Dohme Corp.

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 US10208047 (2019)

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


(Homo sapiens (Human))
BDBM350156
PNG
((1S,3R)-3-[8-amino-5- fluoro-1-(4-{(1R)-1- hydroxy...)
Show SMILES C[C@@](O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@](C)(C(O)=O)C2(C)C)n2c(F)cnc(N)c12)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C30H30F4N4O3/c1-27(2)20(12-13-28(27,3)26(39)40)25-37-22(23-24(35)36-15-21(31)38(23)25)16-8-10-17(11-9-16)29(4,41)18-6-5-7-19(14-18)30(32,33)34/h5-11,14-15,20,41H,12-13H2,1-4H3,(H2,35,36)(H,39,40)/t20-,28+,29+/m0/s1
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Merck Sharp & Dohme Corp.

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 US10208047 (2019)

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


(Homo sapiens (Human))
BDBM350141
PNG
(5-[8-amino-1-(4-{(1R)-1- hydroxy-1-[3- (trifluorom...)
Show SMILES C[C@@](O)(c1ccc(cc1)-c1nc(n2ccnc(N)c12)C12CCC(CC1)(CCC2)C(O)=O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C31H31F3N4O3/c1-28(41,21-4-2-5-22(18-21)31(32,33)34)20-8-6-19(7-9-20)23-24-25(35)36-16-17-38(24)26(37-23)29-10-3-11-30(14-12-29,15-13-29)27(39)40/h2,4-9,16-18,41H,3,10-15H2,1H3,(H2,35,36)(H,39,40)/t28-,29?,30?/m1/s1
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Merck Sharp & Dohme Corp.

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 US10208047 (2019)

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


(Homo sapiens (Human))
BDBM350148
PNG
((1S,3S)-3-[8-amino-1-(4- {(1R)-1-hydroxy-1-[3- (tr...)
Show SMILES C[C@@](O)(c1ccc(cc1)-c1nc(n2ccnc(N)c12)[C@@]1(C)CC[C@@](C)(C1)C(O)=O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C29H29F3N4O3/c1-26(11-12-27(2,16-26)25(37)38)24-35-21(22-23(33)34-13-14-36(22)24)17-7-9-18(10-8-17)28(3,39)19-5-4-6-20(15-19)29(30,31)32/h4-10,13-15,39H,11-12,16H2,1-3H3,(H2,33,34)(H,37,38)/t26-,27-,28+/m0/s1
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Merck Sharp & Dohme Corp.

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 US10208047 (2019)

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


(Homo sapiens (Human))
BDBM350165
PNG
(4-[8-amino-1-(4-{(1R)-1- [3-(difluoromethyl)phenyl...)
Show SMILES C[C@@](O)(c1ccc(cc1)-c1nc(n2ccnc(N)c12)C1(C)CCC(C)(CC1)C(O)=O)c1cccc(c1)C(F)F
Show InChI InChI=1S/C30H32F2N4O3/c1-28(11-13-29(2,14-12-28)27(37)38)26-35-22(23-25(33)34-15-16-36(23)26)18-7-9-20(10-8-18)30(3,39)21-6-4-5-19(17-21)24(31)32/h4-10,15-17,24,39H,11-14H2,1-3H3,(H2,33,34)(H,37,38)/t28?,29?,30-/m1/s1
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Merck Sharp & Dohme Corp.

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 US10208047 (2019)

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


(Homo sapiens (Human))
BDBM350167
PNG
((1R,3r,5S,6s)-3-[8-amino-1- (4-{(1R)-1-hydroxy-1-[...)
Show SMILES C[C@@](O)(c1ccc(cc1)-c1nc([C@H]2C[C@H]3[C@@H](C2)[C@H]3C(O)=O)n2ccnc(N)c12)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C28H25F3N4O3/c1-27(38,17-3-2-4-18(13-17)28(29,30)31)16-7-5-14(6-8-16)22-23-24(32)33-9-10-35(23)25(34-22)15-11-19-20(12-15)21(19)26(36)37/h2-10,13,15,19-21,38H,11-12H2,1H3,(H2,32,33)(H,36,37)/t15-,19-,20+,21-,27-/m1/s1
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n/an/a 15.7n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

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 US10208047 (2019)

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


(Homo sapiens (Human))
BDBM350144
PNG
(4-[8-amino-1-(4-{(1R)-1- hydroxy-1-[3- (trifluorom...)
Show SMILES C[C@@](O)(c1ccc(cc1)-c1nc(n2ccnc(N)c12)C12CCC(CC1(F)F)(C(O)=O)C(F)(F)C2)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C30H25F7N4O3/c1-25(44,18-3-2-4-19(13-18)30(35,36)37)17-7-5-16(6-8-17)20-21-22(38)39-11-12-41(21)23(40-20)26-9-10-27(24(42)43,15-28(26,31)32)29(33,34)14-26/h2-8,11-13,44H,9-10,14-15H2,1H3,(H2,38,39)(H,42,43)/t25-,26?,27?/m1/s1
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n/an/a 17.3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

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 US10208047 (2019)

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


(Homo sapiens (Human))
BDBM350137
PNG
((1S,3S)-3-[8-amino-1-(4- {(1R)-1-hydroxy-1-[3- (tr...)
Show SMILES CC(C)[C@@]1(CC[C@@H](C1)c1nc(-c2ccc(cc2)[C@@](C)(O)c2cccc(c2)C(F)(F)F)c2c(N)nccn12)C(O)=O
Show InChI InChI=1S/C30H31F3N4O3/c1-17(2)29(27(38)39)12-11-19(16-29)26-36-23(24-25(34)35-13-14-37(24)26)18-7-9-20(10-8-18)28(3,40)21-5-4-6-22(15-21)30(31,32)33/h4-10,13-15,17,19,40H,11-12,16H2,1-3H3,(H2,34,35)(H,38,39)/t19-,28+,29-/m0/s1
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n/an/a 19n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

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 US10208047 (2019)

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


(Homo sapiens (Human))
BDBM350155
PNG
((1S,2S,5S)-5-[8-amino-1- (4-{(1R)-1-hydroxy-1-[3- ...)
Show SMILES CC(C)[C@@H]1CC[C@@H](C[C@@H]1C(O)=O)c1nc(-c2ccc(cc2)[C@@](C)(O)c2cccc(c2)C(F)(F)F)c2c(N)nccn12
Show InChI InChI=1S/C31H33F3N4O3/c1-17(2)23-12-9-19(15-24(23)29(39)40)28-37-25(26-27(35)36-13-14-38(26)28)18-7-10-20(11-8-18)30(3,41)21-5-4-6-22(16-21)31(32,33)34/h4-8,10-11,13-14,16-17,19,23-24,41H,9,12,15H2,1-3H3,(H2,35,36)(H,39,40)/t19-,23-,24-,30+/m0/s1
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n/an/a 28.7n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

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 US10208047 (2019)

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


(Homo sapiens (Human))
BDBM350162
PNG
((1R,3S)-3-[8-amino-5- chloro-1-(4-{(1R)-1-[3- (dif...)
Show SMILES CC(C)[C@]1(CC[C@@H](C1)c1nc(-c2ccc(cc2)[C@@](C)(O)c2cccc(c2)C(F)F)c2c(N)ncc(Cl)n12)C(O)=O
Show InChI InChI=1S/C30H31ClF2N4O3/c1-16(2)30(28(38)39)12-11-19(14-30)27-36-23(24-26(34)35-15-22(31)37(24)27)17-7-9-20(10-8-17)29(3,40)21-6-4-5-18(13-21)25(32)33/h4-10,13,15-16,19,25,40H,11-12,14H2,1-3H3,(H2,34,35)(H,38,39)/t19-,29+,30+/m0/s1
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n/an/a 32.3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

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 US10208047 (2019)

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


(Homo sapiens (Human))
BDBM350158
PNG
((3-exo,8-syn)-3-[8-amino-1- (4-{(1R)-1-hydroxy-1-[...)
Show SMILES C[C@@](O)(c1ccc(cc1)-c1nc([C@H]2C[C@@H]3CC[C@H](C2)[C@@H]3C(O)=O)n2ccnc(N)c12)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C30H29F3N4O3/c1-29(40,21-3-2-4-22(15-21)30(31,32)33)20-9-7-16(8-10-20)24-25-26(34)35-11-12-37(25)27(36-24)19-13-17-5-6-18(14-19)23(17)28(38)39/h2-4,7-12,15,17-19,23,40H,5-6,13-14H2,1H3,(H2,34,35)(H,38,39)/t17-,18+,19-,23+,29-/m1/s1
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n/an/a 33.5n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

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 US10208047 (2019)

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


(Homo sapiens (Human))
BDBM350133
PNG
(US10208047, Example 1)
Show SMILES C[C@@](O)(c1ccc(cc1)-c1nc(n2ccnc(N)c12)C1(C)CCC(C)(CC1)C(O)=O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C30H31F3N4O3/c1-27(11-13-28(2,14-12-27)26(38)39)25-36-22(23-24(34)35-15-16-37(23)25)18-7-9-19(10-8-18)29(3,40)20-5-4-6-21(17-20)30(31,32)33/h4-10,15-17,40H,11-14H2,1-3H3,(H2,34,35)(H,38,39)/t27?,28?,29-/m1/s1
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n/an/a 39.4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

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 US10208047 (2019)

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


(Homo sapiens (Human))
BDBM350157
PNG
((3-endo,8-syn)-3-[8-amino- 1-(4-{(1R)-1-hydroxy-1-...)
Show SMILES C[C@@](O)(c1ccc(cc1)-c1nc([C@@H]2C[C@@H]3CC[C@H](C2)[C@@H]3C(O)=O)n2ccnc(N)c12)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C30H29F3N4O3/c1-29(40,21-3-2-4-22(15-21)30(31,32)33)20-9-7-16(8-10-20)24-25-26(34)35-11-12-37(25)27(36-24)19-13-17-5-6-18(14-19)23(17)28(38)39/h2-4,7-12,15,17-19,23,40H,5-6,13-14H2,1H3,(H2,34,35)(H,38,39)/t17-,18+,19+,23+,29-/m1/s1
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n/an/a 39.9n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

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 US10208047 (2019)

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


(Homo sapiens (Human))
BDBM350164
PNG
((1R,3R)-3-[8-amino-5- chloro-1-(4-{(1R)-1-[3- (dif...)
Show SMILES CC(C)[C@]1(CC[C@H](C1)c1nc(-c2ccc(cc2)[C@@](C)(O)c2cccc(c2)C(F)F)c2c(N)ncc(Cl)n12)C(O)=O
Show InChI InChI=1S/C30H31ClF2N4O3/c1-16(2)30(28(38)39)12-11-19(14-30)27-36-23(24-26(34)35-15-22(31)37(24)27)17-7-9-20(10-8-17)29(3,40)21-6-4-5-18(13-21)25(32)33/h4-10,13,15-16,19,25,40H,11-12,14H2,1-3H3,(H2,34,35)(H,38,39)/t19-,29-,30-/m1/s1
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n/an/a 41.8n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

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 US10208047 (2019)

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


(Homo sapiens (Human))
BDBM350138
PNG
(4-[8-amino-1-(4-{(1R)-1- hydroxy-1-[3- (trifluorom...)
Show SMILES C[C@@](O)(c1ccc(cc1)-c1nc(n2ccnc(N)c12)C12CCC(CC1=O)(C(O)=O)C(=O)C2)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C30H25F3N4O5/c1-27(42,18-3-2-4-19(13-18)30(31,32)33)17-7-5-16(6-8-17)22-23-24(34)35-11-12-37(23)25(36-22)28-9-10-29(26(40)41,15-20(28)38)21(39)14-28/h2-8,11-13,42H,9-10,14-15H2,1H3,(H2,34,35)(H,40,41)/t27-,28?,29?/m1/s1
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n/an/a 52n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

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 US10208047 (2019)

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


(Homo sapiens (Human))
BDBM350149
PNG
((1R,3S)-3-[8-amino-1-(4- {(1R)-1-hydroxy-1-[3- (tr...)
Show SMILES C[C@@](O)(c1ccc(cc1)-c1nc(n2ccnc(N)c12)[C@@]1(C)CC[C@](C)(C1)C(O)=O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C29H29F3N4O3/c1-26(11-12-27(2,16-26)25(37)38)24-35-21(22-23(33)34-13-14-36(22)24)17-7-9-18(10-8-17)28(3,39)19-5-4-6-20(15-19)29(30,31)32/h4-10,13-15,39H,11-12,16H2,1-3H3,(H2,33,34)(H,37,38)/t26-,27+,28+/m0/s1
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n/an/a 55.1n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

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 US10208047 (2019)

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


(Homo sapiens (Human))
BDBM350153
PNG
((1R,2R,5R)-5-[8-amino-1- (4-{(1R)-1-hydroxy-1-[3- ...)
Show SMILES CC(C)[C@H]1CC[C@H](C[C@H]1C(O)=O)c1nc(-c2ccc(cc2)[C@@](C)(O)c2cccc(c2)C(F)(F)F)c2c(N)nccn12
Show InChI InChI=1S/C31H33F3N4O3/c1-17(2)23-12-9-19(15-24(23)29(39)40)28-37-25(26-27(35)36-13-14-38(26)28)18-7-10-20(11-8-18)30(3,41)21-5-4-6-22(16-21)31(32,33)34/h4-8,10-11,13-14,16-17,19,23-24,41H,9,12,15H2,1-3H3,(H2,35,36)(H,39,40)/t19-,23-,24-,30-/m1/s1
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n/an/a 56.1n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

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 US10208047 (2019)

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


(Homo sapiens (Human))
BDBM350145
PNG
((1R,3S)-3-[8-amino-1-(4- {(1R)-1-hydroxy-1-[3- (tr...)
Show SMILES C[C@@](O)(c1ccc(cc1)-c1nc([C@H]2CC[C@@](C)(C(O)=O)C2(C)C)n2ccnc(N)c12)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C30H31F3N4O3/c1-27(2)21(12-13-28(27,3)26(38)39)25-36-22(23-24(34)35-14-15-37(23)25)17-8-10-18(11-9-17)29(4,40)19-6-5-7-20(16-19)30(31,32)33/h5-11,14-16,21,40H,12-13H2,1-4H3,(H2,34,35)(H,38,39)/t21-,28+,29-/m1/s1
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n/an/a 86n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

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 US10208047 (2019)

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


(Homo sapiens (Human))
BDBM350147
PNG
((1R,3S)-3-[8-amino-1-(4- {(1S)-1-hydroxy-1-[3- (tr...)
Show SMILES CC(C)[C@]1(CCC[C@@H](C1)c1nc(-c2ccc(cc2)[C@](C)(O)c2cccc(c2)C(F)(F)F)c2c(N)nccn12)C(O)=O
Show InChI InChI=1S/C31H33F3N4O3/c1-18(2)30(28(39)40)13-5-6-20(17-30)27-37-24(25-26(35)36-14-15-38(25)27)19-9-11-21(12-10-19)29(3,41)22-7-4-8-23(16-22)31(32,33)34/h4,7-12,14-16,18,20,41H,5-6,13,17H2,1-3H3,(H2,35,36)(H,39,40)/t20-,29-,30+/m0/s1
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n/an/a 104n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

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 US10208047 (2019)

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


(Homo sapiens (Human))
BDBM350163
PNG
((1S,3S)-3-[8-amino-5- chloro-1-(4-{(1R)-1-[3- (dif...)
Show SMILES CC(C)[C@@]1(CC[C@@H](C1)c1nc(-c2ccc(cc2)[C@@](C)(O)c2cccc(c2)C(F)F)c2c(N)ncc(Cl)n12)C(O)=O
Show InChI InChI=1S/C30H31ClF2N4O3/c1-16(2)30(28(38)39)12-11-19(14-30)27-36-23(24-26(34)35-15-22(31)37(24)27)17-7-9-20(10-8-17)29(3,40)21-6-4-5-18(13-21)25(32)33/h4-10,13,15-16,19,25,40H,11-12,14H2,1-3H3,(H2,34,35)(H,38,39)/t19-,29+,30-/m0/s1
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n/an/a 133n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

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 US10208047 (2019)

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


(Homo sapiens (Human))
BDBM350151
PNG
(4-(8-amino-1-{2-ethoxy-4- [1-hydroxy-1-(3- methylp...)
Show SMILES CCOc1cc(ccc1-c1nc(n2ccnc(N)c12)C12CCC(CC1)(CC2)C(O)=O)C(C)(O)c1cccc(C)c1
Show InChI InChI=1S/C32H36N4O4/c1-4-40-24-19-22(30(3,39)21-7-5-6-20(2)18-21)8-9-23(24)25-26-27(33)34-16-17-36(26)28(35-25)31-10-13-32(14-11-31,15-12-31)29(37)38/h5-9,16-19,39H,4,10-15H2,1-3H3,(H2,33,34)(H,37,38)
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n/an/a 136n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

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 US10208047 (2019)

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


(Homo sapiens (Human))
BDBM350150
PNG
((1S,3R)-3-[8-amino-1-(4- {(1R)-1-hydroxy-1-[3- (tr...)
Show SMILES C[C@@](O)(c1ccc(cc1)-c1nc(n2ccnc(N)c12)[C@]1(C)CC[C@@](C)(C1)C(O)=O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C29H29F3N4O3/c1-26(11-12-27(2,16-26)25(37)38)24-35-21(22-23(33)34-13-14-36(22)24)17-7-9-18(10-8-17)28(3,39)19-5-4-6-20(15-19)29(30,31)32/h4-10,13-15,39H,11-12,16H2,1-3H3,(H2,33,34)(H,37,38)/t26-,27+,28-/m1/s1
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n/an/a 178n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

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 US10208047 (2019)

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


(Homo sapiens (Human))
BDBM350142
PNG
(4-[8-amino-1-(4-{(1R)-1- hydroxy-1-[3- (trifluorom...)
Show SMILES C[C@@](O)(c1ccc(cc1)-c1nc(n2ccnc(N)c12)C1(CCOCC1)C(O)=O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C27H25F3N4O4/c1-25(37,18-3-2-4-19(15-18)27(28,29)30)17-7-5-16(6-8-17)20-21-22(31)32-11-12-34(21)23(33-20)26(24(35)36)9-13-38-14-10-26/h2-8,11-12,15,37H,9-10,13-14H2,1H3,(H2,31,32)(H,35,36)/t25-/m1/s1
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n/an/a 294n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

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 US10208047 (2019)

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


(Homo sapiens (Human))
BDBM350139
PNG
(1-[8-amino-1-(4-{(1R)-1- hydroxy-1-[3- (trifluorom...)
Show SMILES C[C@@](O)(c1ccc(cc1)-c1nc(n2ccnc(N)c12)C1(CC1)C(O)=O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C25H21F3N4O3/c1-23(35,16-3-2-4-17(13-16)25(26,27)28)15-7-5-14(6-8-15)18-19-20(29)30-11-12-32(19)21(31-18)24(9-10-24)22(33)34/h2-8,11-13,35H,9-10H2,1H3,(H2,29,30)(H,33,34)/t23-/m1/s1
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n/an/a 614n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

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 US10208047 (2019)

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


(Homo sapiens (Human))
BDBM350135
PNG
(4-[8-amino-1-(4-{(1R)-1- hydroxy-1-[3- (trifluorom...)
Show SMILES C[C@@](O)(c1ccc(cc1)-c1nc(n2ccnc(N)c12)C12CCC(CC1)(CC2)C(O)=O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C30H29F3N4O3/c1-27(40,20-3-2-4-21(17-20)30(31,32)33)19-7-5-18(6-8-19)22-23-24(34)35-15-16-37(23)25(36-22)28-9-12-29(13-10-28,14-11-28)26(38)39/h2-8,15-17,40H,9-14H2,1H3,(H2,34,35)(H,38,39)/t27-,28?,29?/m1/s1
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US Patent
n/an/a 775n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

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 US10208047 (2019)

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


(Homo sapiens (Human))
BDBM350146
PNG
((1S,3R)-3-[8-amino-1-(4- {(1S)-1-hydroxy-1-[3- (tr...)
Show SMILES CC(C)[C@@]1(CCC[C@H](C1)c1nc(-c2ccc(cc2)[C@](C)(O)c2cccc(c2)C(F)(F)F)c2c(N)nccn12)C(O)=O
Show InChI InChI=1S/C31H33F3N4O3/c1-18(2)30(28(39)40)13-5-6-20(17-30)27-37-24(25-26(35)36-14-15-38(25)27)19-9-11-21(12-10-19)29(3,41)22-7-4-8-23(16-22)31(32,33)34/h4,7-12,14-16,18,20,41H,5-6,13,17H2,1-3H3,(H2,35,36)(H,39,40)/t20-,29+,30+/m1/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

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 US10208047 (2019)

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


(Homo sapiens (Human))
BDBM350136
PNG
((1S,3S)-3-[8-amino-1-(4- {(1S)-1-hydroxy-1-[3- (tr...)
Show SMILES CC(C)[C@@]1(CC[C@@H](C1)c1nc(-c2ccc(cc2)[C@](C)(O)c2cccc(c2)C(F)(F)F)c2c(N)nccn12)C(O)=O
Show InChI InChI=1S/C30H31F3N4O3/c1-17(2)29(27(38)39)12-11-19(16-29)26-36-23(24-25(34)35-13-14-37(24)26)18-7-9-20(10-8-18)28(3,40)21-5-4-6-22(15-21)30(31,32)33/h4-10,13-15,17,19,40H,11-12,16H2,1-3H3,(H2,34,35)(H,38,39)/t19-,28-,29-/m0/s1
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US Patent
n/an/a 1.00E+3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

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 US10208047 (2019)

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