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Patent code US10246457

Compile Data Set for Download or QSAR
Found 56 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))
BDBM374600
PNG
(2-{3-[3-amino-7-(1-methyl-1H-pyrazol-4-yl)-1H-inda...)
Show SMILES Cn1cc(cn1)-c1cc(cc2c(N)n[nH]c12)-c1cccc(c1CO)-n1ncc2cc(cc(F)c2c1=O)C(C)(C)C
Show InChI InChI=1S/C30H28FN7O2/c1-30(2,3)19-8-17-12-34-38(29(40)26(17)24(31)11-19)25-7-5-6-20(23(25)15-39)16-9-21(18-13-33-37(4)14-18)27-22(10-16)28(32)36-35-27/h5-14,39H,15H2,1-4H3,(H3,32,35,36)
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US Patent
n/an/a 0.0730n/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 (lime-resolved fluorescence resonance energy transfer) assay...


US Patent US10246457 (2019)

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


(Homo sapiens (Human))
BDBM374617
PNG
(US10246457, Example 26)
Show SMILES COCCn1cc(cn1)-c1cc(cc2c(N)n[nH]c12)-c1cccc(c1CO)-n1ncc2cc(cc(F)c2c1=O)C(C)(C)C
Show InChI InChI=1S/C32H32FN7O3/c1-32(2,3)21-10-19-14-36-40(31(42)28(19)26(33)13-21)27-7-5-6-22(25(27)17-41)18-11-23(29-24(12-18)30(34)38-37-29)20-15-35-39(16-20)8-9-43-4/h5-7,10-16,41H,8-9,17H2,1-4H3,(H3,34,37,38)
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n/an/a 0.0960n/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 (lime-resolved fluorescence resonance energy transfer) assay...


US Patent US10246457 (2019)

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


(Homo sapiens (Human))
BDBM374613
PNG
(US10246457, Example 22)
Show SMILES CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(-c4cc(-c5ccccn5)c5[nH]nc(N)c5c4)c3CO)c2=O)c1
Show InChI InChI=1S/C31H27FN6O2/c1-31(2,3)19-11-18-15-35-38(30(40)27(18)24(32)14-19)26-9-6-7-20(23(26)16-39)17-12-21(25-8-4-5-10-34-25)28-22(13-17)29(33)37-36-28/h4-15,39H,16H2,1-3H3,(H3,33,36,37)
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n/an/a 0.110n/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 (lime-resolved fluorescence resonance energy transfer) assay...


US Patent US10246457 (2019)

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


(Homo sapiens (Human))
BDBM374609
PNG
(US10246457, Example 18)
Show SMILES Cn1cc(cn1)-c1cc(cc2c(N)n[nH]c12)-c1cccc(NC(=O)c2cc3CCCCc3s2)c1CO
Show InChI InChI=1S/C27H26N6O2S/c1-33-13-17(12-29-33)19-9-16(10-20-25(19)31-32-26(20)28)18-6-4-7-22(21(18)14-34)30-27(35)24-11-15-5-2-3-8-23(15)36-24/h4,6-7,9-13,34H,2-3,5,8,14H2,1H3,(H,30,35)(H3,28,31,32)
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n/an/a 0.130n/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 (lime-resolved fluorescence resonance energy transfer) assay...


US Patent US10246457 (2019)

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


(Homo sapiens (Human))
BDBM374592
PNG
(3-amino-5-[3-(6-tert-butyl-8-fluoro-1-oxophthalazi...)
Show SMILES CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(-c4cc(C(O)=O)c5[nH]nc(N)c5c4)c3CO)c2=O)c1
Show InChI InChI=1S/C27H24FN5O4/c1-27(2,3)15-7-14-11-30-33(25(35)22(14)20(28)10-15)21-6-4-5-16(19(21)12-34)13-8-17-23(31-32-24(17)29)18(9-13)26(36)37/h4-11,34H,12H2,1-3H3,(H,36,37)(H3,29,31,32)
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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 (lime-resolved fluorescence resonance energy transfer) assay...


US Patent US10246457 (2019)

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


(Homo sapiens (Human))
BDBM374597
PNG
(2-[3-{3-amino-7-[1-(1-methylethyl)-1H-pyrazol-4-yl...)
Show SMILES CC(C)n1cc(cn1)-c1cc(cc2c(N)n[nH]c12)-c1cccc(c1CO)-n1ncc2cc(cc(F)c2c1=O)C(C)(C)C
Show InChI InChI=1S/C32H32FN7O2/c1-17(2)39-15-20(14-35-39)23-10-18(11-24-29(23)37-38-30(24)34)22-7-6-8-27(25(22)16-41)40-31(42)28-19(13-36-40)9-21(12-26(28)33)32(3,4)5/h6-15,17,41H,16H2,1-5H3,(H3,34,37,38)
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n/an/a 0.150n/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 (lime-resolved fluorescence resonance energy transfer) assay...


US Patent US10246457 (2019)

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


(Homo sapiens (Human))
BDBM374608
PNG
(2-[3-{3-amino-7-[1(1-methylethyl)-1H-pyrazol-3-yl]...)
Show SMILES CC(C)n1ccc(n1)-c1cc(cc2c(N)n[nH]c12)-c1cccc(c1CO)-n1ncc2cc(cc(F)c2c1=O)C(C)(C)C
Show InChI InChI=1S/C32H32FN7O2/c1-17(2)39-10-9-26(38-39)22-12-18(13-23-29(22)36-37-30(23)34)21-7-6-8-27(24(21)16-41)40-31(42)28-19(15-35-40)11-20(14-25(28)33)32(3,4)5/h6-15,17,41H,16H2,1-5H3,(H3,34,36,37)
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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 (lime-resolved fluorescence resonance energy transfer) assay...


US Patent US10246457 (2019)

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


(Homo sapiens (Human))
BDBM374602
PNG
(3-amino-5-[3-(6-tert-butyl-8-fluoro-1-oxophthalazi...)
Show SMILES CNC(=O)c1cc(cc2c(N)n[nH]c12)-c1cccc(c1CO)-n1ncc2cc(cc(F)c2c1=O)C(C)(C)C
Show InChI InChI=1S/C28H27FN6O3/c1-28(2,3)16-8-15-12-32-35(27(38)23(15)21(29)11-16)22-7-5-6-17(20(22)13-36)14-9-18-24(33-34-25(18)30)19(10-14)26(37)31-4/h5-12,36H,13H2,1-4H3,(H,31,37)(H3,30,33,34)
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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 (lime-resolved fluorescence resonance energy transfer) assay...


US Patent US10246457 (2019)

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


(Homo sapiens (Human))
BDBM374594
PNG
(3-amino-5-[3-(6-tert-butyl-8-fluoro-1-oxophthalazi...)
Show SMILES CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(-c4cc(C(N)=O)c5[nH]nc(N)c5c4)c3CO)c2=O)c1
Show InChI InChI=1S/C27H25FN6O3/c1-27(2,3)15-7-14-11-31-34(26(37)22(14)20(28)10-15)21-6-4-5-16(19(21)12-35)13-8-17-23(32-33-24(17)29)18(9-13)25(30)36/h4-11,35H,12H2,1-3H3,(H2,30,36)(H3,29,32,33)
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n/an/a 0.160n/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 (lime-resolved fluorescence resonance energy transfer) assay...


US Patent US10246457 (2019)

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


(Homo sapiens (Human))
BDBM374614
PNG
(US10246457, Example 23)
Show SMILES CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(-c4cc(-c5cnn(CC(O)=O)c5)c5[nH]nc(N)c5c4)c3CO)c2=O)c1
Show InChI InChI=1S/C31H28FN7O4/c1-31(2,3)19-7-17-11-35-39(30(43)27(17)24(32)10-19)25-6-4-5-20(23(25)15-40)16-8-21(28-22(9-16)29(33)37-36-28)18-12-34-38(13-18)14-26(41)42/h4-13,40H,14-15H2,1-3H3,(H,41,42)(H3,33,36,37)
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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 (lime-resolved fluorescence resonance energy transfer) assay...


US Patent US10246457 (2019)

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


(Homo sapiens (Human))
BDBM374616
PNG
(US10246457, Example 25)
Show SMILES CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(c3CO)-c3cc(-c4cnn(c4)C4CCOCC4)c4[nH]nc(N)c4c3)c2=O)c1
Show InChI InChI=1S/C34H34FN7O3/c1-34(2,3)22-11-20-15-38-42(33(44)30(20)28(35)14-22)29-6-4-5-24(27(29)18-43)19-12-25(31-26(13-19)32(36)40-39-31)21-16-37-41(17-21)23-7-9-45-10-8-23/h4-6,11-17,23,43H,7-10,18H2,1-3H3,(H3,36,39,40)
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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 (lime-resolved fluorescence resonance energy transfer) assay...


US Patent US10246457 (2019)

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


(Homo sapiens (Human))
BDBM374615
PNG
(US10246457, Example 24)
Show SMILES CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(-c4cc(-c5cnn(c5)C(C)(C)C(O)=O)c5[nH]nc(N)c5c4)c3CO)c2=O)c1
Show InChI InChI=1S/C33H32FN7O4/c1-32(2,3)20-9-18-13-37-41(30(43)27(18)25(34)12-20)26-8-6-7-21(24(26)16-42)17-10-22(28-23(11-17)29(35)39-38-28)19-14-36-40(15-19)33(4,5)31(44)45/h6-15,42H,16H2,1-5H3,(H,44,45)(H3,35,38,39)
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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 (lime-resolved fluorescence resonance energy transfer) assay...


US Patent US10246457 (2019)

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


(Homo sapiens (Human))
BDBM374618
PNG
(US10246457, Example 27)
Show SMILES Cc1nn(C)cc1-c1cc(cc2c(N)n[nH]c12)-c1cccc(c1CO)-n1ncc2cc(cc(F)c2c1=O)C(C)(C)C
Show InChI InChI=1S/C31H30FN7O2/c1-16-23(14-38(5)37-16)21-10-17(11-22-28(21)35-36-29(22)33)20-7-6-8-26(24(20)15-40)39-30(41)27-18(13-34-39)9-19(12-25(27)32)31(2,3)4/h6-14,40H,15H2,1-5H3,(H3,33,35,36)
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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 (lime-resolved fluorescence resonance energy transfer) assay...


US Patent US10246457 (2019)

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


(Homo sapiens (Human))
BDBM374610
PNG
(US10246457, Example 19)
Show SMILES CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(-c4cc(-c5ccccc5)c5[nH]nc(N)c5c4)c3CO)c2=O)c1
Show InChI InChI=1S/C32H28FN5O2/c1-32(2,3)21-12-20-16-35-38(31(40)28(20)26(33)15-21)27-11-7-10-22(25(27)17-39)19-13-23(18-8-5-4-6-9-18)29-24(14-19)30(34)37-36-29/h4-16,39H,17H2,1-3H3,(H3,34,36,37)
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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 (lime-resolved fluorescence resonance energy transfer) assay...


US Patent US10246457 (2019)

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


(Homo sapiens (Human))
BDBM374607
PNG
(3-amino-5-[3-(6-tert-butyl-8-fluoro-1-oxo-3,4-dihy...)
Show SMILES CC(C)(C)c1cc(F)c2C(=O)N(CCc2c1)c1cccc(-c2cc(C(N)=O)c3[nH]nc(N)c3c2)c1CO
Show InChI InChI=1S/C28H28FN5O3/c1-28(2,3)16-9-14-7-8-34(27(37)23(14)21(29)12-16)22-6-4-5-17(20(22)13-35)15-10-18-24(32-33-25(18)30)19(11-15)26(31)36/h4-6,9-12,35H,7-8,13H2,1-3H3,(H2,31,36)(H3,30,32,33)
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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 (lime-resolved fluorescence resonance energy transfer) assay...


US Patent US10246457 (2019)

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


(Homo sapiens (Human))
BDBM374601
PNG
(2-[3-(3-amino-7-pyridin-3-yl-1H-indazol-5-yl)-2-(h...)
Show SMILES CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(-c4cc(-c5cccnc5)c5[nH]nc(N)c5c4)c3CO)c2=O)c1
Show InChI InChI=1S/C31H27FN6O2/c1-31(2,3)20-10-19-15-35-38(30(40)27(19)25(32)13-20)26-8-4-7-21(24(26)16-39)18-11-22(17-6-5-9-34-14-17)28-23(12-18)29(33)37-36-28/h4-15,39H,16H2,1-3H3,(H3,33,36,37)
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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 (lime-resolved fluorescence resonance energy transfer) assay...


US Patent US10246457 (2019)

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


(Homo sapiens (Human))
BDBM374619
PNG
(US10246457, Example 28)
Show SMILES CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(-c4cc(-c5cnn6CCCCc56)c5[nH]nc(N)c5c4)c3CO)c2=O)c1
Show InChI InChI=1S/C33H32FN7O2/c1-33(2,3)20-11-19-15-37-41(32(43)29(19)26(34)14-20)28-9-6-7-21(25(28)17-42)18-12-22(30-23(13-18)31(35)39-38-30)24-16-36-40-10-5-4-8-27(24)40/h6-7,9,11-16,42H,4-5,8,10,17H2,1-3H3,(H3,35,38,39)
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n/an/a 1.70n/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 (lime-resolved fluorescence resonance energy transfer) assay...


US Patent US10246457 (2019)

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


(Homo sapiens (Human))
BDBM374616
PNG
(US10246457, Example 25)
Show SMILES CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(c3CO)-c3cc(-c4cnn(c4)C4CCOCC4)c4[nH]nc(N)c4c3)c2=O)c1
Show InChI InChI=1S/C34H34FN7O3/c1-34(2,3)22-11-20-15-38-42(33(44)30(20)28(35)14-22)29-6-4-5-24(27(29)18-43)19-12-25(31-26(13-19)32(36)40-39-31)21-16-37-41(17-21)23-7-9-45-10-8-23/h4-6,11-17,23,43H,7-10,18H2,1-3H3,(H3,36,39,40)
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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 (lime-resolved fluorescence resonance energy transfer) assay...


US Patent US10246457 (2019)

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


(Homo sapiens (Human))
BDBM374597
PNG
(2-[3-{3-amino-7-[1-(1-methylethyl)-1H-pyrazol-4-yl...)
Show SMILES CC(C)n1cc(cn1)-c1cc(cc2c(N)n[nH]c12)-c1cccc(c1CO)-n1ncc2cc(cc(F)c2c1=O)C(C)(C)C
Show InChI InChI=1S/C32H32FN7O2/c1-17(2)39-15-20(14-35-39)23-10-18(11-24-29(23)37-38-30(24)34)22-7-6-8-27(25(22)16-41)40-31(42)28-19(13-36-40)9-21(12-26(28)33)32(3,4)5/h6-15,17,41H,16H2,1-5H3,(H3,34,37,38)
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n/an/a 3.80n/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 (lime-resolved fluorescence resonance energy transfer) assay...


US Patent US10246457 (2019)

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


(Homo sapiens (Human))
BDBM374600
PNG
(2-{3-[3-amino-7-(1-methyl-1H-pyrazol-4-yl)-1H-inda...)
Show SMILES Cn1cc(cn1)-c1cc(cc2c(N)n[nH]c12)-c1cccc(c1CO)-n1ncc2cc(cc(F)c2c1=O)C(C)(C)C
Show InChI InChI=1S/C30H28FN7O2/c1-30(2,3)19-8-17-12-34-38(29(40)26(17)24(31)11-19)25-7-5-6-20(23(25)15-39)16-9-21(18-13-33-37(4)14-18)27-22(10-16)28(32)36-35-27/h5-14,39H,15H2,1-4H3,(H3,32,35,36)
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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 (lime-resolved fluorescence resonance energy transfer) assay...


US Patent US10246457 (2019)

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


(Homo sapiens (Human))
BDBM374617
PNG
(US10246457, Example 26)
Show SMILES COCCn1cc(cn1)-c1cc(cc2c(N)n[nH]c12)-c1cccc(c1CO)-n1ncc2cc(cc(F)c2c1=O)C(C)(C)C
Show InChI InChI=1S/C32H32FN7O3/c1-32(2,3)21-10-19-14-36-40(31(42)28(19)26(33)13-21)27-7-5-6-22(25(27)17-41)18-11-23(29-24(12-18)30(34)38-37-29)20-15-35-39(16-20)8-9-43-4/h5-7,10-16,41H,8-9,17H2,1-4H3,(H3,34,37,38)
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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 (lime-resolved fluorescence resonance energy transfer) assay...


US Patent US10246457 (2019)

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


(Homo sapiens (Human))
BDBM374611
PNG
(US10246457, Example 20)
Show SMILES CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(-c4ccc5[nH]nc(N)c5n4)c3CO)c2=O)c1
Show InChI InChI=1S/C25H23FN6O2/c1-25(2,3)14-9-13-11-28-32(24(34)21(13)17(26)10-14)20-6-4-5-15(16(20)12-33)18-7-8-19-22(29-18)23(27)31-30-19/h4-11,33H,12H2,1-3H3,(H3,27,30,31)
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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 (lime-resolved fluorescence resonance energy transfer) assay...


US Patent US10246457 (2019)

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


(Homo sapiens (Human))
BDBM374612
PNG
(US10246457, Example 21)
Show SMILES CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(-c4cc5c(N)n[nH]c5cn4)c3CO)c2=O)c1
Show InChI InChI=1S/C25H23FN6O2/c1-25(2,3)14-7-13-10-29-32(24(34)22(13)18(26)8-14)21-6-4-5-15(17(21)12-33)19-9-16-20(11-28-19)30-31-23(16)27/h4-11,33H,12H2,1-3H3,(H3,27,30,31)
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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 (lime-resolved fluorescence resonance energy transfer) assay...


US Patent US10246457 (2019)

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


(Homo sapiens (Human))
BDBM374593
PNG
(2-[3-(3-amino-6-methyl-1H-indazol-5-yl)-2-(hydroxy...)
Show SMILES Cc1cc2[nH]nc(N)c2cc1-c1cccc(c1CO)-n1ncc2cc(cc(F)c2c1=O)C(C)(C)C
Show InChI InChI=1S/C27H26FN5O2/c1-14-8-22-19(25(29)32-31-22)11-18(14)17-6-5-7-23(20(17)13-34)33-26(35)24-15(12-30-33)9-16(10-21(24)28)27(2,3)4/h5-12,34H,13H2,1-4H3,(H3,29,31,32)
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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 (lime-resolved fluorescence resonance energy transfer) assay...


US Patent US10246457 (2019)

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


(Homo sapiens (Human))
BDBM374609
PNG
(US10246457, Example 18)
Show SMILES Cn1cc(cn1)-c1cc(cc2c(N)n[nH]c12)-c1cccc(NC(=O)c2cc3CCCCc3s2)c1CO
Show InChI InChI=1S/C27H26N6O2S/c1-33-13-17(12-29-33)19-9-16(10-20-25(19)31-32-26(20)28)18-6-4-7-22(21(18)14-34)30-27(35)24-11-15-5-2-3-8-23(15)36-24/h4,6-7,9-13,34H,2-3,5,8,14H2,1H3,(H,30,35)(H3,28,31,32)
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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 (lime-resolved fluorescence resonance energy transfer) assay...


US Patent US10246457 (2019)

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


(Homo sapiens (Human))
BDBM374608
PNG
(2-[3-{3-amino-7-[1(1-methylethyl)-1H-pyrazol-3-yl]...)
Show SMILES CC(C)n1ccc(n1)-c1cc(cc2c(N)n[nH]c12)-c1cccc(c1CO)-n1ncc2cc(cc(F)c2c1=O)C(C)(C)C
Show InChI InChI=1S/C32H32FN7O2/c1-17(2)39-10-9-26(38-39)22-12-18(13-23-29(22)36-37-30(23)34)21-7-6-8-27(24(21)16-41)40-31(42)28-19(15-35-40)11-20(14-25(28)33)32(3,4)5/h6-15,17,41H,16H2,1-5H3,(H3,34,36,37)
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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 (lime-resolved fluorescence resonance energy transfer) assay...


US Patent US10246457 (2019)

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


(Homo sapiens (Human))
BDBM374594
PNG
(3-amino-5-[3-(6-tert-butyl-8-fluoro-1-oxophthalazi...)
Show SMILES CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(-c4cc(C(N)=O)c5[nH]nc(N)c5c4)c3CO)c2=O)c1
Show InChI InChI=1S/C27H25FN6O3/c1-27(2,3)15-7-14-11-31-34(26(37)22(14)20(28)10-15)21-6-4-5-16(19(21)12-35)13-8-17-23(32-33-24(17)29)18(9-13)25(30)36/h4-11,35H,12H2,1-3H3,(H2,30,36)(H3,29,32,33)
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n/an/a 16n/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 (lime-resolved fluorescence resonance energy transfer) assay...


US Patent US10246457 (2019)

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


(Homo sapiens (Human))
BDBM374604
PNG
(N-{3-[3-amino-7-(1-methyl-1H-pyrazol-4-yl)-1H-inda...)
Show SMILES Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1cc(-c2cnn(C)c2)c2[nH]nc(N)c2c1
Show InChI InChI=1S/C29H30N6O/c1-17-22(7-6-8-25(17)32-28(36)18-9-11-21(12-10-18)29(2,3)4)19-13-23(20-15-31-35(5)16-20)26-24(14-19)27(30)34-33-26/h6-16H,1-5H3,(H,32,36)(H3,30,33,34)
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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 (lime-resolved fluorescence resonance energy transfer) assay...


US Patent US10246457 (2019)

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


(Homo sapiens (Human))
BDBM374613
PNG
(US10246457, Example 22)
Show SMILES CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(-c4cc(-c5ccccn5)c5[nH]nc(N)c5c4)c3CO)c2=O)c1
Show InChI InChI=1S/C31H27FN6O2/c1-31(2,3)19-11-18-15-35-38(30(40)27(18)24(32)14-19)26-9-6-7-20(23(26)16-39)17-12-21(25-8-4-5-10-34-25)28-22(13-17)29(33)37-36-28/h4-15,39H,16H2,1-3H3,(H3,33,36,37)
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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 (lime-resolved fluorescence resonance energy transfer) assay...


US Patent US10246457 (2019)

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


(Homo sapiens (Human))
BDBM374614
PNG
(US10246457, Example 23)
Show SMILES CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(-c4cc(-c5cnn(CC(O)=O)c5)c5[nH]nc(N)c5c4)c3CO)c2=O)c1
Show InChI InChI=1S/C31H28FN7O4/c1-31(2,3)19-7-17-11-35-39(30(43)27(17)24(32)10-19)25-6-4-5-20(23(25)15-40)16-8-21(28-22(9-16)29(33)37-36-28)18-12-34-38(13-18)14-26(41)42/h4-13,40H,14-15H2,1-3H3,(H,41,42)(H3,33,36,37)
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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 (lime-resolved fluorescence resonance energy transfer) assay...


US Patent US10246457 (2019)

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


(Homo sapiens (Human))
BDBM374606
PNG
(N-{3-[3-amino-7-(1-methyl-1H-pyrazol-4-yl)-1H-inda...)
Show SMILES Cc1c(NC(=O)c2ccc(cc2F)C(C)(C)C)cccc1-c1cc(-c2cnn(C)c2)c2[nH]nc(N)c2c1
Show InChI InChI=1S/C29H29FN6O/c1-16-20(17-11-22(18-14-32-36(5)15-18)26-23(12-17)27(31)35-34-26)7-6-8-25(16)33-28(37)21-10-9-19(13-24(21)30)29(2,3)4/h6-15H,1-5H3,(H,33,37)(H3,31,34,35)
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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 (lime-resolved fluorescence resonance energy transfer) assay...


US Patent US10246457 (2019)

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


(Homo sapiens (Human))
BDBM374602
PNG
(3-amino-5-[3-(6-tert-butyl-8-fluoro-1-oxophthalazi...)
Show SMILES CNC(=O)c1cc(cc2c(N)n[nH]c12)-c1cccc(c1CO)-n1ncc2cc(cc(F)c2c1=O)C(C)(C)C
Show InChI InChI=1S/C28H27FN6O3/c1-28(2,3)16-8-15-12-32-35(27(38)23(15)21(29)11-16)22-7-5-6-17(20(22)13-36)14-9-18-24(33-34-25(18)30)19(10-14)26(37)31-4/h5-12,36H,13H2,1-4H3,(H,31,37)(H3,30,33,34)
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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 (lime-resolved fluorescence resonance energy transfer) assay...


US Patent US10246457 (2019)

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


(Homo sapiens (Human))
BDBM374603
PNG
(2-{3-[3-amino-1-(pyridin-4-ylmethyl)-1H-indazol-5-...)
Show SMILES CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(-c4ccc5n(Cc6ccncc6)nc(N)c5c4)c3CO)c2=O)c1
Show InChI InChI=1S/C32H29FN6O2/c1-32(2,3)22-13-21-16-36-39(31(41)29(21)26(33)15-22)28-6-4-5-23(25(28)18-40)20-7-8-27-24(14-20)30(34)37-38(27)17-19-9-11-35-12-10-19/h4-16,40H,17-18H2,1-3H3,(H2,34,37)
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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 (lime-resolved fluorescence resonance energy transfer) assay...


US Patent US10246457 (2019)

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


(Homo sapiens (Human))
BDBM374615
PNG
(US10246457, Example 24)
Show SMILES CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(-c4cc(-c5cnn(c5)C(C)(C)C(O)=O)c5[nH]nc(N)c5c4)c3CO)c2=O)c1
Show InChI InChI=1S/C33H32FN7O4/c1-32(2,3)20-9-18-13-37-41(30(43)27(18)25(34)12-20)26-8-6-7-21(24(26)16-42)17-10-22(28-23(11-17)29(35)39-38-28)19-14-36-40(15-19)33(4,5)31(44)45/h6-15,42H,16H2,1-5H3,(H,44,45)(H3,35,38,39)
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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 (lime-resolved fluorescence resonance energy transfer) assay...


US Patent US10246457 (2019)

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


(Homo sapiens (Human))
BDBM374595
PNG
(2-{3-[3-amino-7-(trifluoromethyl)-1H-indazol-5-yl]...)
Show SMILES CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(-c4cc(c5[nH]nc(N)c5c4)C(F)(F)F)c3CO)c2=O)c1
Show InChI InChI=1S/C27H23F4N5O2/c1-26(2,3)15-7-14-11-33-36(25(38)22(14)20(28)10-15)21-6-4-5-16(18(21)12-37)13-8-17-23(34-35-24(17)32)19(9-13)27(29,30)31/h4-11,37H,12H2,1-3H3,(H3,32,34,35)
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n/an/a 38.6n/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 (lime-resolved fluorescence resonance energy transfer) assay...


US Patent US10246457 (2019)

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


(Homo sapiens (Human))
BDBM374596
PNG
(3-amino-5-[3-(6-tert-butyl-8-fluoro-1-oxophthalazi...)
Show SMILES Cn1nc(N)c2cc(cc(C(N)=O)c12)-c1cccc(c1CO)-n1ncc2cc(cc(F)c2c1=O)C(C)(C)C
Show InChI InChI=1S/C28H27FN6O3/c1-28(2,3)16-8-15-12-32-35(27(38)23(15)21(29)11-16)22-7-5-6-17(20(22)13-36)14-9-18-24(19(10-14)26(31)37)34(4)33-25(18)30/h5-12,36H,13H2,1-4H3,(H2,30,33)(H2,31,37)
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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 (lime-resolved fluorescence resonance energy transfer) assay...


US Patent US10246457 (2019)

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


(Homo sapiens (Human))
BDBM374598
PNG
(3-amino-5-(3-{[(4-tert-butyl-2-fluorophenyl)carbon...)
Show SMILES Cc1c(NC(=O)c2ccc(cc2F)C(C)(C)C)cccc1-c1cc(C(N)=O)c2[nH]nc(N)c2c1
Show InChI InChI=1S/C26H26FN5O2/c1-13-16(14-10-18-22(31-32-23(18)28)19(11-14)24(29)33)6-5-7-21(13)30-25(34)17-9-8-15(12-20(17)27)26(2,3)4/h5-12H,1-4H3,(H2,29,33)(H,30,34)(H3,28,31,32)
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n/an/a 64.5n/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 (lime-resolved fluorescence resonance energy transfer) assay...


US Patent US10246457 (2019)

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


(Homo sapiens (Human))
BDBM374618
PNG
(US10246457, Example 27)
Show SMILES Cc1nn(C)cc1-c1cc(cc2c(N)n[nH]c12)-c1cccc(c1CO)-n1ncc2cc(cc(F)c2c1=O)C(C)(C)C
Show InChI InChI=1S/C31H30FN7O2/c1-16-23(14-38(5)37-16)21-10-17(11-22-28(21)35-36-29(22)33)20-7-6-8-26(24(20)15-40)39-30(41)27-18(13-34-39)9-19(12-25(27)32)31(2,3)4/h6-14,40H,15H2,1-5H3,(H3,33,35,36)
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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 (lime-resolved fluorescence resonance energy transfer) assay...


US Patent US10246457 (2019)

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


(Homo sapiens (Human))
BDBM374592
PNG
(3-amino-5-[3-(6-tert-butyl-8-fluoro-1-oxophthalazi...)
Show SMILES CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(-c4cc(C(O)=O)c5[nH]nc(N)c5c4)c3CO)c2=O)c1
Show InChI InChI=1S/C27H24FN5O4/c1-27(2,3)15-7-14-11-30-33(25(35)22(14)20(28)10-15)21-6-4-5-16(19(21)12-34)13-8-17-23(31-32-24(17)29)18(9-13)26(36)37/h4-11,34H,12H2,1-3H3,(H,36,37)(H3,29,31,32)
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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 (lime-resolved fluorescence resonance energy transfer) assay...


US Patent US10246457 (2019)

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


(Homo sapiens (Human))
BDBM374607
PNG
(3-amino-5-[3-(6-tert-butyl-8-fluoro-1-oxo-3,4-dihy...)
Show SMILES CC(C)(C)c1cc(F)c2C(=O)N(CCc2c1)c1cccc(-c2cc(C(N)=O)c3[nH]nc(N)c3c2)c1CO
Show InChI InChI=1S/C28H28FN5O3/c1-28(2,3)16-9-14-7-8-34(27(37)23(14)21(29)12-16)22-6-4-5-17(20(22)13-35)15-10-18-24(32-33-25(18)30)19(11-15)26(31)36/h4-6,9-12,35H,7-8,13H2,1-3H3,(H2,31,36)(H3,30,32,33)
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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 (lime-resolved fluorescence resonance energy transfer) assay...


US Patent US10246457 (2019)

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


(Homo sapiens (Human))
BDBM374605
PNG
(2-{3-[3-amino-7-(morpholin-4-ylcarbonyl)-1H-indazo...)
Show SMILES CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(-c4cc(C(=O)N5CCOCC5)c5[nH]nc(N)c5c4)c3CO)c2=O)c1
Show InChI InChI=1S/C31H31FN6O4/c1-31(2,3)19-11-18-15-34-38(30(41)26(18)24(32)14-19)25-6-4-5-20(23(25)16-39)17-12-21-27(35-36-28(21)33)22(13-17)29(40)37-7-9-42-10-8-37/h4-6,11-15,39H,7-10,16H2,1-3H3,(H3,33,35,36)
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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 (lime-resolved fluorescence resonance energy transfer) assay...


US Patent US10246457 (2019)

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


(Homo sapiens (Human))
BDBM374599
PNG
(3-amino-5-[3-({[2-fluoro-4-(2,2,2-trifluoro-1,1-di...)
Show SMILES Cc1c(NC(=O)c2ccc(cc2F)C(C)(C)C(F)(F)F)cccc1-c1cc(C(N)=O)c2[nH]nc(N)c2c1
Show InChI InChI=1S/C26H23F4N5O2/c1-12-15(13-9-17-21(34-35-22(17)31)18(10-13)23(32)36)5-4-6-20(12)33-24(37)16-8-7-14(11-19(16)27)25(2,3)26(28,29)30/h4-11H,1-3H3,(H2,32,36)(H,33,37)(H3,31,34,35)
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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 (lime-resolved fluorescence resonance energy transfer) assay...


US Patent US10246457 (2019)

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


(Homo sapiens (Human))
BDBM374601
PNG
(2-[3-(3-amino-7-pyridin-3-yl-1H-indazol-5-yl)-2-(h...)
Show SMILES CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(-c4cc(-c5cccnc5)c5[nH]nc(N)c5c4)c3CO)c2=O)c1
Show InChI InChI=1S/C31H27FN6O2/c1-31(2,3)20-10-19-15-35-38(30(40)27(19)25(32)13-20)26-8-4-7-21(24(26)16-39)18-11-22(17-6-5-9-34-14-17)28-23(12-18)29(33)37-36-28/h4-15,39H,16H2,1-3H3,(H3,33,36,37)
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n/an/a 299n/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 (lime-resolved fluorescence resonance energy transfer) assay...


US Patent US10246457 (2019)

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


(Homo sapiens (Human))
BDBM374593
PNG
(2-[3-(3-amino-6-methyl-1H-indazol-5-yl)-2-(hydroxy...)
Show SMILES Cc1cc2[nH]nc(N)c2cc1-c1cccc(c1CO)-n1ncc2cc(cc(F)c2c1=O)C(C)(C)C
Show InChI InChI=1S/C27H26FN5O2/c1-14-8-22-19(25(29)32-31-22)11-18(14)17-6-5-7-23(20(17)13-34)33-26(35)24-15(12-30-33)9-16(10-21(24)28)27(2,3)4/h5-12,34H,13H2,1-4H3,(H3,29,31,32)
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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 (lime-resolved fluorescence resonance energy transfer) assay...


US Patent US10246457 (2019)

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


(Homo sapiens (Human))
BDBM374619
PNG
(US10246457, Example 28)
Show SMILES CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(-c4cc(-c5cnn6CCCCc56)c5[nH]nc(N)c5c4)c3CO)c2=O)c1
Show InChI InChI=1S/C33H32FN7O2/c1-33(2,3)20-11-19-15-37-41(32(43)29(19)26(34)14-20)28-9-6-7-21(25(28)17-42)18-12-22(30-23(13-18)31(35)39-38-30)24-16-36-40-10-5-4-8-27(24)40/h6-7,9,11-16,42H,4-5,8,10,17H2,1-3H3,(H3,35,38,39)
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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 (lime-resolved fluorescence resonance energy transfer) assay...


US Patent US10246457 (2019)

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


(Homo sapiens (Human))
BDBM374610
PNG
(US10246457, Example 19)
Show SMILES CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(-c4cc(-c5ccccc5)c5[nH]nc(N)c5c4)c3CO)c2=O)c1
Show InChI InChI=1S/C32H28FN5O2/c1-32(2,3)21-12-20-16-35-38(31(40)28(20)26(33)15-21)27-11-7-10-22(25(27)17-39)19-13-23(18-8-5-4-6-9-18)29-24(14-19)30(34)37-36-29/h4-16,39H,17H2,1-3H3,(H3,34,36,37)
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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 (lime-resolved fluorescence resonance energy transfer) assay...


US Patent US10246457 (2019)

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


(Homo sapiens (Human))
BDBM374612
PNG
(US10246457, Example 21)
Show SMILES CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(-c4cc5c(N)n[nH]c5cn4)c3CO)c2=O)c1
Show InChI InChI=1S/C25H23FN6O2/c1-25(2,3)14-7-13-10-29-32(24(34)22(13)18(26)8-14)21-6-4-5-15(17(21)12-33)19-9-16-20(11-28-19)30-31-23(16)27/h4-11,33H,12H2,1-3H3,(H3,27,30,31)
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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 (lime-resolved fluorescence resonance energy transfer) assay...


US Patent US10246457 (2019)

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


(Homo sapiens (Human))
BDBM374596
PNG
(3-amino-5-[3-(6-tert-butyl-8-fluoro-1-oxophthalazi...)
Show SMILES Cn1nc(N)c2cc(cc(C(N)=O)c12)-c1cccc(c1CO)-n1ncc2cc(cc(F)c2c1=O)C(C)(C)C
Show InChI InChI=1S/C28H27FN6O3/c1-28(2,3)16-8-15-12-32-35(27(38)23(15)21(29)11-16)22-7-5-6-17(20(22)13-36)14-9-18-24(19(10-14)26(31)37)34(4)33-25(18)30/h5-12,36H,13H2,1-4H3,(H2,30,33)(H2,31,37)
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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 (lime-resolved fluorescence resonance energy transfer) assay...


US Patent US10246457 (2019)

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


(Homo sapiens (Human))
BDBM374598
PNG
(3-amino-5-(3-{[(4-tert-butyl-2-fluorophenyl)carbon...)
Show SMILES Cc1c(NC(=O)c2ccc(cc2F)C(C)(C)C)cccc1-c1cc(C(N)=O)c2[nH]nc(N)c2c1
Show InChI InChI=1S/C26H26FN5O2/c1-13-16(14-10-18-22(31-32-23(18)28)19(11-14)24(29)33)6-5-7-21(13)30-25(34)17-9-8-15(12-20(17)27)26(2,3)4/h5-12H,1-4H3,(H2,29,33)(H,30,34)(H3,28,31,32)
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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 (lime-resolved fluorescence resonance energy transfer) assay...


US Patent US10246457 (2019)

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


(Homo sapiens (Human))
BDBM374606
PNG
(N-{3-[3-amino-7-(1-methyl-1H-pyrazol-4-yl)-1H-inda...)
Show SMILES Cc1c(NC(=O)c2ccc(cc2F)C(C)(C)C)cccc1-c1cc(-c2cnn(C)c2)c2[nH]nc(N)c2c1
Show InChI InChI=1S/C29H29FN6O/c1-16-20(17-11-22(18-14-32-36(5)15-18)26-23(12-17)27(31)35-34-26)7-6-8-25(16)33-28(37)21-10-9-19(13-24(21)30)29(2,3)4/h6-15H,1-5H3,(H,33,37)(H3,31,34,35)
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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 (lime-resolved fluorescence resonance energy transfer) assay...


US Patent US10246457 (2019)

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


(Homo sapiens (Human))
BDBM374604
PNG
(N-{3-[3-amino-7-(1-methyl-1H-pyrazol-4-yl)-1H-inda...)
Show SMILES Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1cc(-c2cnn(C)c2)c2[nH]nc(N)c2c1
Show InChI InChI=1S/C29H30N6O/c1-17-22(7-6-8-25(17)32-28(36)18-9-11-21(12-10-18)29(2,3)4)19-13-23(20-15-31-35(5)16-20)26-24(14-19)27(30)34-33-26/h6-16H,1-5H3,(H,32,36)(H3,30,33,34)
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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 (lime-resolved fluorescence resonance energy transfer) assay...


US Patent US10246457 (2019)

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


(Homo sapiens (Human))
BDBM374605
PNG
(2-{3-[3-amino-7-(morpholin-4-ylcarbonyl)-1H-indazo...)
Show SMILES CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(-c4cc(C(=O)N5CCOCC5)c5[nH]nc(N)c5c4)c3CO)c2=O)c1
Show InChI InChI=1S/C31H31FN6O4/c1-31(2,3)19-11-18-15-34-38(30(41)26(18)24(32)14-19)25-6-4-5-20(23(25)16-39)17-12-21-27(35-36-28(21)33)22(13-17)29(40)37-7-9-42-10-8-37/h4-6,11-15,39H,7-10,16H2,1-3H3,(H3,33,35,36)
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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 (lime-resolved fluorescence resonance energy transfer) assay...


US Patent US10246457 (2019)

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


(Homo sapiens (Human))
BDBM374611
PNG
(US10246457, Example 20)
Show SMILES CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(-c4ccc5[nH]nc(N)c5n4)c3CO)c2=O)c1
Show InChI InChI=1S/C25H23FN6O2/c1-25(2,3)14-9-13-11-28-32(24(34)21(13)17(26)10-14)20-6-4-5-15(16(20)12-33)18-7-8-19-22(29-18)23(27)31-30-19/h4-11,33H,12H2,1-3H3,(H3,27,30,31)
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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 (lime-resolved fluorescence resonance energy transfer) assay...


US Patent US10246457 (2019)

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


(Homo sapiens (Human))
BDBM374603
PNG
(2-{3-[3-amino-1-(pyridin-4-ylmethyl)-1H-indazol-5-...)
Show SMILES CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(-c4ccc5n(Cc6ccncc6)nc(N)c5c4)c3CO)c2=O)c1
Show InChI InChI=1S/C32H29FN6O2/c1-32(2,3)22-13-21-16-36-39(31(41)29(21)26(33)15-22)28-6-4-5-23(25(28)18-40)20-7-8-27-24(14-20)30(34)37-38(27)17-19-9-11-35-12-10-19/h4-16,40H,17-18H2,1-3H3,(H2,34,37)
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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 (lime-resolved fluorescence resonance energy transfer) assay...


US Patent US10246457 (2019)

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


(Homo sapiens (Human))
BDBM374599
PNG
(3-amino-5-[3-({[2-fluoro-4-(2,2,2-trifluoro-1,1-di...)
Show SMILES Cc1c(NC(=O)c2ccc(cc2F)C(C)(C)C(F)(F)F)cccc1-c1cc(C(N)=O)c2[nH]nc(N)c2c1
Show InChI InChI=1S/C26H23F4N5O2/c1-12-15(13-9-17-21(34-35-22(17)31)18(10-13)23(32)36)5-4-6-20(12)33-24(37)16-8-7-14(11-19(16)27)25(2,3)26(28,29)30/h4-11H,1-3H3,(H2,32,36)(H,33,37)(H3,31,34,35)
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PC cid
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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 (lime-resolved fluorescence resonance energy transfer) assay...


US Patent US10246457 (2019)

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


(Homo sapiens (Human))
BDBM374595
PNG
(2-{3-[3-amino-7-(trifluoromethyl)-1H-indazol-5-yl]...)
Show SMILES CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(-c4cc(c5[nH]nc(N)c5c4)C(F)(F)F)c3CO)c2=O)c1
Show InChI InChI=1S/C27H23F4N5O2/c1-26(2,3)15-7-14-11-33-36(25(38)22(14)20(28)10-15)21-6-4-5-16(18(21)12-37)13-8-17-23(34-35-24(17)32)19(9-13)27(29,30)31/h4-11,37H,12H2,1-3H3,(H3,32,34,35)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
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 (lime-resolved fluorescence resonance energy transfer) assay...


US Patent US10246457 (2019)

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