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Patent code US10239883

Compile Data Set for Download or QSAR

Found 665 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 Lyn


(Homo sapiens (Human))
BDBM340160
PNG
((S)-4-(3-(1-acryloylpyrrolidin-2-yl)- 8-aminoimida...)
Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCCN1C(=O)C=C
Show InChI InChI=1/C26H22F3N7O2/c1-2-20(37)35-12-3-4-18(35)24-34-21(22-23(30)32-11-13-36(22)24)15-5-7-16(8-6-15)25(38)33-19-14-17(9-10-31-19)26(27,28)29/h2,5-11,13-14,18H,1,3-4,12H2,(H2,30,32)(H,31,33,38)/t18-/s2
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n/an/an/an/a>1.00E+3n/an/an/an/a



Merck Sharp & Dohme B.V.

US Patent


Assay Description
Lyn enzyme (Millipore catalog #14-510), is diluted to 250 mU/mL in KR buffer (10 mM Tris-HCl, 10 mM MgCl2, 0.01% Tween-20, 0.05% NaN3, 1 mM DTT, 2 mM...


US Patent US10239883 (2019)

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


(Homo sapiens (Human))
BDBM340068
PNG
(4-(3-((S)-1-acryloylpiperidin-2-yl)-8- aminoimidaz...)
Show SMILES Cc1cc(ccc1-c1nc([C@@H]2CCCCN2C(=O)C=C)n2ccnc(N)c12)C(=O)Nc1ccccn1
Show InChI InChI=1/C27H27N7O2/c1-3-22(35)33-14-7-5-8-20(33)26-32-23(24-25(28)30-13-15-34(24)26)19-11-10-18(16-17(19)2)27(36)31-21-9-4-6-12-29-21/h3-4,6,9-13,15-16,20H,1,5,7-8,14H2,2H3,(H2,28,30)(H,29,31,36)/t20-/s2
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n/an/an/an/a>1.00E+3n/an/an/an/a



Merck Sharp & Dohme B.V.

US Patent


Assay Description
Lyn enzyme (Millipore catalog #14-510), is diluted to 250 mU/mL in KR buffer (10 mM Tris-HCl, 10 mM MgCl2, 0.01% Tween-20, 0.05% NaN3, 1 mM DTT, 2 mM...


US Patent US10239883 (2019)

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


(Homo sapiens (Human))
BDBM340098
PNG
((S)-4-(8-amino-3-(1-(2-chloro pyrimidine-4-carbony...)
Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3nc4CCCCc4s3)c12)[C@@H]1CCCN1C(=O)c1ccnc(Cl)n1
Show InChI InChI=1/C29H26ClN9O2S/c30-28-33-12-11-19(34-28)27(41)38-14-3-5-20(38)25-36-22(23-24(31)32-13-15-39(23)25)16-7-9-17(10-8-16)26(40)37-29-35-18-4-1-2-6-21(18)42-29/h7-13,15,20H,1-6,14H2,(H2,31,32)(H,35,37,40)/t20-/s2
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n/an/an/an/a>1.00E+3n/an/an/an/a



Merck Sharp & Dohme B.V.

US Patent


Assay Description
Lyn enzyme (Millipore catalog #14-510), is diluted to 250 mU/mL in KR buffer (10 mM Tris-HCl, 10 mM MgCl2, 0.01% Tween-20, 0.05% NaN3, 1 mM DTT, 2 mM...


US Patent US10239883 (2019)

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


(Homo sapiens (Human))
BDBM340070
PNG
((S)-4-(8-amino-3-(1-(2- chloropyrimidine-4- carbon...)
Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cccnn3)c12)[C@@H]1CCCCN1C(=O)c1ccnc(Cl)n1
Show InChI InChI=1/C27H23ClN10O2/c28-27-31-12-10-18(33-27)26(40)37-14-2-1-4-19(37)24-35-21(22-23(29)30-13-15-38(22)24)16-6-8-17(9-7-16)25(39)34-20-5-3-11-32-36-20/h3,5-13,15,19H,1-2,4,14H2,(H2,29,30)(H,34,36,39)/t19-/s2
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Merck Sharp & Dohme B.V.

US Patent


Assay Description
Lyn enzyme (Millipore catalog #14-510), is diluted to 250 mU/mL in KR buffer (10 mM Tris-HCl, 10 mM MgCl2, 0.01% Tween-20, 0.05% NaN3, 1 mM DTT, 2 mM...


US Patent US10239883 (2019)

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


(Homo sapiens (Human))
BDBM340071
PNG
(4-(8-amino-3-((S)-1-((E)-4- methoxybut-2-enoyl)pip...)
Show SMILES COC\C=C\C(=O)N1CCCC[C@H]1c1nc(-c2ccc(cc2C)C(=O)Nc2ccccn2)c2c(N)nccn12
Show InChI InChI=1/C29H31N7O3/c1-19-18-20(29(38)33-23-9-3-5-13-31-23)11-12-21(19)25-26-27(30)32-14-16-36(26)28(34-25)22-8-4-6-15-35(22)24(37)10-7-17-39-2/h3,5,7,9-14,16,18,22H,4,6,8,15,17H2,1-2H3,(H2,30,32)(H,31,33,38)/b10-7+/t22-/s2
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Merck Sharp & Dohme B.V.

US Patent


Assay Description
Lyn enzyme (Millipore catalog #14-510), is diluted to 250 mU/mL in KR buffer (10 mM Tris-HCl, 10 mM MgCl2, 0.01% Tween-20, 0.05% NaN3, 1 mM DTT, 2 mM...


US Patent US10239883 (2019)

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


(Homo sapiens (Human))
BDBM340072
PNG
((S,E)-4-(8-amino-3-(1-(4- methoxybut-2-enoyl)piper...)
Show SMILES COC\C=C\C(=O)N1CCCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccncn2)c2c(N)nccn12
Show InChI InChI=1/C27H28N8O3/c1-38-16-4-6-22(36)34-14-3-2-5-20(34)26-33-23(24-25(28)30-13-15-35(24)26)18-7-9-19(10-8-18)27(37)32-21-11-12-29-17-31-21/h4,6-13,15,17,20H,2-3,5,14,16H2,1H3,(H2,28,30)(H,29,31,32,37)/b6-4+/t20-/s2
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Merck Sharp & Dohme B.V.

US Patent


Assay Description
Lyn enzyme (Millipore catalog #14-510), is diluted to 250 mU/mL in KR buffer (10 mM Tris-HCl, 10 mM MgCl2, 0.01% Tween-20, 0.05% NaN3, 1 mM DTT, 2 mM...


US Patent US10239883 (2019)

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


(Homo sapiens (Human))
BDBM340076
PNG
((S)-4-(8-amino-3-(1-(2- (trifluoromethyl)acryloyl)...)
Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)[C@@H]1CCCN1C(=O)C(=C)C(F)(F)F
Show InChI InChI=1/C26H22F3N7O2/c1-15(26(27,28)29)25(38)35-13-4-5-18(35)23-34-20(21-22(30)32-12-14-36(21)23)16-7-9-17(10-8-16)24(37)33-19-6-2-3-11-31-19/h2-3,6-12,14,18H,1,4-5,13H2,(H2,30,32)(H,31,33,37)/t18-/s2
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Merck Sharp & Dohme B.V.

US Patent


Assay Description
Lyn enzyme (Millipore catalog #14-510), is diluted to 250 mU/mL in KR buffer (10 mM Tris-HCl, 10 mM MgCl2, 0.01% Tween-20, 0.05% NaN3, 1 mM DTT, 2 mM...


US Patent US10239883 (2019)

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


(Homo sapiens (Human))
BDBM340078
PNG
((S)-4-(8-amino-3-(1- (cyanomethyl)pyrrolidin-2- yl...)
Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)[C@@H]1CCCN1CC#N
Show InChI InChI=1/C24H22N8O/c25-10-14-31-13-3-4-18(31)23-30-20(21-22(26)28-12-15-32(21)23)16-6-8-17(9-7-16)24(33)29-19-5-1-2-11-27-19/h1-2,5-9,11-12,15,18H,3-4,13-14H2,(H2,26,28)(H,27,29,33)/t18-/s2
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Merck Sharp & Dohme B.V.

US Patent


Assay Description
Lyn enzyme (Millipore catalog #14-510), is diluted to 250 mU/mL in KR buffer (10 mM Tris-HCl, 10 mM MgCl2, 0.01% Tween-20, 0.05% NaN3, 1 mM DTT, 2 mM...


US Patent US10239883 (2019)

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


(Homo sapiens (Human))
BDBM340172
PNG
((S)-4-(3-(1-acryloylpyrrolidin-2-yl)- 8-aminoimida...)
Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3nccs3)c12)[C@@H]1CCCN1C(=O)C=C
Show InChI InChI=1/C23H21N7O2S/c1-2-17(31)29-11-3-4-16(29)21-27-18(19-20(24)25-9-12-30(19)21)14-5-7-15(8-6-14)22(32)28-23-26-10-13-33-23/h2,5-10,12-13,16H,1,3-4,11H2,(H2,24,25)(H,26,28,32)/t16-/s2
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Merck Sharp & Dohme B.V.

US Patent


Assay Description
Lyn enzyme (Millipore catalog #14-510), is diluted to 250 mU/mL in KR buffer (10 mM Tris-HCl, 10 mM MgCl2, 0.01% Tween-20, 0.05% NaN3, 1 mM DTT, 2 mM...


US Patent US10239883 (2019)

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


(Homo sapiens (Human))
BDBM340175
PNG
((S,E)-4-(8-amino-3-(1-(4- methoxybut-2-enoyl)piper...)
Show SMILES COC\C=C\C(=O)N1CCCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12
Show InChI InChI=1/C29H28F3N7O3/c1-42-16-4-6-23(40)38-14-3-2-5-21(38)27-37-24(25-26(33)35-13-15-39(25)27)18-7-9-19(10-8-18)28(41)36-22-17-20(11-12-34-22)29(30,31)32/h4,6-13,15,17,21H,2-3,5,14,16H2,1H3,(H2,33,35)(H,34,36,41)/b6-4+/t21-/s2
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Merck Sharp & Dohme B.V.

US Patent


Assay Description
Lyn enzyme (Millipore catalog #14-510), is diluted to 250 mU/mL in KR buffer (10 mM Tris-HCl, 10 mM MgCl2, 0.01% Tween-20, 0.05% NaN3, 1 mM DTT, 2 mM...


US Patent US10239883 (2019)

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


(Homo sapiens (Human))
BDBM340115
PNG
((S)-4-(8-amino-3-(1-(N-methylbut- 2-ynamido)ethyl)...)
Show SMILES CCCc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@H](C)N(C)C(=O)C#CC)n3ccnc(N)c23)c1
Show InChI InChI=1/C28H29N7O2/c1-5-7-19-13-14-30-22(17-19)32-28(37)21-11-9-20(10-12-21)24-25-26(29)31-15-16-35(25)27(33-24)18(3)34(4)23(36)8-6-2/h9-18H,5,7H2,1-4H3,(H2,29,31)(H,30,32,37)/t18-/s2
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Merck Sharp & Dohme B.V.

US Patent


Assay Description
Lyn enzyme (Millipore catalog #14-510), is diluted to 250 mU/mL in KR buffer (10 mM Tris-HCl, 10 mM MgCl2, 0.01% Tween-20, 0.05% NaN3, 1 mM DTT, 2 mM...


US Patent US10239883 (2019)

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


(Homo sapiens (Human))
BDBM340179
PNG
((S)-4-(8-amino-3-(1-(2- chloropyrimidine-4- carbon...)
Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCCCN1C(=O)c1ccnc(Cl)n1
Show InChI InChI=1/C29H23ClF3N9O2/c30-28-37-11-9-19(38-28)27(44)41-13-2-1-3-20(41)25-40-22(23-24(34)36-12-14-42(23)25)16-4-6-17(7-5-16)26(43)39-21-15-18(8-10-35-21)29(31,32)33/h4-12,14-15,20H,1-3,13H2,(H2,34,36)(H,35,39,43)/t20-/s2
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Merck Sharp & Dohme B.V.

US Patent


Assay Description
Lyn enzyme (Millipore catalog #14-510), is diluted to 250 mU/mL in KR buffer (10 mM Tris-HCl, 10 mM MgCl2, 0.01% Tween-20, 0.05% NaN3, 1 mM DTT, 2 mM...


US Patent US10239883 (2019)

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


(Homo sapiens (Human))
BDBM340181
PNG
((S)-4-(3-(1-acryloylpiperidin-2-yl)-8- aminoimidaz...)
Show SMILES CCc1cnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCCN3C(=O)C=C)n3ccnc(N)c23)s1
Show InChI InChI=1/C26H27N7O2S/c1-3-18-15-29-26(36-18)31-25(35)17-10-8-16(9-11-17)21-22-23(27)28-12-14-33(22)24(30-21)19-7-5-6-13-32(19)20(34)4-2/h4,8-12,14-15,19H,2-3,5-7,13H2,1H3,(H2,27,28)(H,29,31,35)/t19-/s2
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Merck Sharp & Dohme B.V.

US Patent


Assay Description
Lyn enzyme (Millipore catalog #14-510), is diluted to 250 mU/mL in KR buffer (10 mM Tris-HCl, 10 mM MgCl2, 0.01% Tween-20, 0.05% NaN3, 1 mM DTT, 2 mM...


US Patent US10239883 (2019)

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


(Homo sapiens (Human))
BDBM340183
PNG
((R,E)-4-(8-amino-3-(4-(4- methoxybut-2-enoyl)morph...)
Show SMILES COC\C=C\C(=O)N1CCOC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12
Show InChI InChI=1/C27H27N7O4/c1-37-15-4-6-22(35)33-14-16-38-17-20(33)26-32-23(24-25(28)30-12-13-34(24)26)18-7-9-19(10-8-18)27(36)31-21-5-2-3-11-29-21/h2-13,20H,14-17H2,1H3,(H2,28,30)(H,29,31,36)/b6-4+/t20-/s2
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Merck Sharp & Dohme B.V.

US Patent


Assay Description
Lyn enzyme (Millipore catalog #14-510), is diluted to 250 mU/mL in KR buffer (10 mM Tris-HCl, 10 mM MgCl2, 0.01% Tween-20, 0.05% NaN3, 1 mM DTT, 2 mM...


US Patent US10239883 (2019)

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


(Homo sapiens (Human))
BDBM340184
PNG
((S,E)-4-(8-amino-3-(1-(4- methoxybut-2-enoyl)piper...)
Show SMILES CCCc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCCN3C(=O)\C=C\COC)n3ccnc(N)c23)c1
Show InChI InChI=1/C31H35N7O3/c1-3-7-21-14-15-33-25(20-21)35-31(40)23-12-10-22(11-13-23)27-28-29(32)34-16-18-38(28)30(36-27)24-8-4-5-17-37(24)26(39)9-6-19-41-2/h6,9-16,18,20,24H,3-5,7-8,17,19H2,1-2H3,(H2,32,34)(H,33,35,40)/b9-6+/t24-/s2
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Merck Sharp & Dohme B.V.

US Patent


Assay Description
Lyn enzyme (Millipore catalog #14-510), is diluted to 250 mU/mL in KR buffer (10 mM Tris-HCl, 10 mM MgCl2, 0.01% Tween-20, 0.05% NaN3, 1 mM DTT, 2 mM...


US Patent US10239883 (2019)

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


(Homo sapiens (Human))
BDBM340193
PNG
((S)-4-(8-amino-3-(1-but-2- ynoylpyrrolidin-2-yl)im...)
Show SMILES CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C#N)c2c(N)nccn12
Show InChI InChI=1/C27H22N8O2/c1-2-4-22(36)34-13-3-5-20(34)26-33-23(24-25(29)31-12-14-35(24)26)18-6-8-19(9-7-18)27(37)32-21-15-17(16-28)10-11-30-21/h6-12,14-15,20H,3,5,13H2,1H3,(H2,29,31)(H,30,32,37)/t20-/s2
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Merck Sharp & Dohme B.V.

US Patent


Assay Description
Lyn enzyme (Millipore catalog #14-510), is diluted to 250 mU/mL in KR buffer (10 mM Tris-HCl, 10 mM MgCl2, 0.01% Tween-20, 0.05% NaN3, 1 mM DTT, 2 mM...


US Patent US10239883 (2019)

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


(Homo sapiens (Human))
BDBM340187
PNG
((S)-4-(3-(1-acryloylpyrrolidin-2-yl)- 8-aminoimida...)
Show SMILES Cc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCN3C(=O)C=C)n3ccnc(N)c23)c1
Show InChI InChI=1/C26H25N7O2/c1-3-21(34)32-13-4-5-19(32)25-31-22(23-24(27)29-12-14-33(23)25)17-6-8-18(9-7-17)26(35)30-20-15-16(2)10-11-28-20/h3,6-12,14-15,19H,1,4-5,13H2,2H3,(H2,27,29)(H,28,30,35)/t19-/s2
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n/an/an/an/a 550n/an/an/an/a



Merck Sharp & Dohme B.V.

US Patent


Assay Description
Lyn enzyme (Millipore catalog #14-510), is diluted to 250 mU/mL in KR buffer (10 mM Tris-HCl, 10 mM MgCl2, 0.01% Tween-20, 0.05% NaN3, 1 mM DTT, 2 mM...


US Patent US10239883 (2019)

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


(Homo sapiens (Human))
BDBM340189
PNG
((S)-4-(3-(1-acryloylpyrrolidin-2-yl)- 8-aminoimida...)
Show SMILES CCc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCN3C(=O)C=C)n3ccnc(N)c23)c1
Show InChI InChI=1/C27H27N7O2/c1-3-17-11-12-29-21(16-17)31-27(36)19-9-7-18(8-10-19)23-24-25(28)30-13-15-34(24)26(32-23)20-6-5-14-33(20)22(35)4-2/h4,7-13,15-16,20H,2-3,5-6,14H2,1H3,(H2,28,30)(H,29,31,36)/t20-/s2
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n/an/an/an/a 550n/an/an/an/a



Merck Sharp & Dohme B.V.

US Patent


Assay Description
Lyn enzyme (Millipore catalog #14-510), is diluted to 250 mU/mL in KR buffer (10 mM Tris-HCl, 10 mM MgCl2, 0.01% Tween-20, 0.05% NaN3, 1 mM DTT, 2 mM...


US Patent US10239883 (2019)

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


(Homo sapiens (Human))
BDBM340196
PNG
((S)-4-(3-(1-acryloylpyrrolidin-2-yl)- 8-aminoimida...)
Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)-c3ccccc3)c12)[C@@H]1CCCN1C(=O)C=C
Show InChI InChI=1/C31H27N7O2/c1-2-26(39)37-17-6-9-24(37)30-36-27(28-29(32)34-16-18-38(28)30)21-10-12-22(13-11-21)31(40)35-25-19-23(14-15-33-25)20-7-4-3-5-8-20/h2-5,7-8,10-16,18-19,24H,1,6,9,17H2,(H2,32,34)(H,33,35,40)/t24-/s2
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n/an/an/an/a 550n/an/an/an/a



Merck Sharp & Dohme B.V.

US Patent


Assay Description
Lyn enzyme (Millipore catalog #14-510), is diluted to 250 mU/mL in KR buffer (10 mM Tris-HCl, 10 mM MgCl2, 0.01% Tween-20, 0.05% NaN3, 1 mM DTT, 2 mM...


US Patent US10239883 (2019)

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


(Homo sapiens (Human))
BDBM340071
PNG
(4-(8-amino-3-((S)-1-((E)-4- methoxybut-2-enoyl)pip...)
Show SMILES COC\C=C\C(=O)N1CCCC[C@H]1c1nc(-c2ccc(cc2C)C(=O)Nc2ccccn2)c2c(N)nccn12
Show InChI InChI=1/C29H31N7O3/c1-19-18-20(29(38)33-23-9-3-5-13-31-23)11-12-21(19)25-26-27(30)32-14-16-36(26)28(34-25)22-8-4-6-15-35(22)24(37)10-7-17-39-2/h3,5,7,9-14,16,18,22H,4,6,8,15,17H2,1-2H3,(H2,30,32)(H,31,33,38)/b10-7+/t22-/s2
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n/an/an/an/a 550n/an/an/an/a



Merck Sharp & Dohme B.V.

US Patent


Assay Description
Btk enzyme (His-Btk (Millipore catalog #14-552), is diluted to 0.4 U/mL in KR buffer (10 mM Tris-HCl, 10 mM MgCl2, 0.01% Tween-20, 0.05% NaN3, 1 mM D...


US Patent US10239883 (2019)

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


(Homo sapiens (Human))
BDBM340084
PNG
(US10239883, Example 11 | US9758524, Example 11)
Show SMILES CCc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCN3C(=O)\C=C\COC)n3ccnc(N)c23)c1
Show InChI InChI=1/C29H31N7O3/c1-3-19-12-13-31-23(18-19)33-29(38)21-10-8-20(9-11-21)25-26-27(30)32-14-16-36(26)28(34-25)22-6-4-15-35(22)24(37)7-5-17-39-2/h5,7-14,16,18,22H,3-4,6,15,17H2,1-2H3,(H2,30,32)(H,31,33,38)/b7-5+/t22-/s2
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n/an/an/an/a 55n/an/an/an/a



Merck Sharp & Dohme B.V.

US Patent


Assay Description
Btk enzyme (His-Btk (Millipore catalog #14-552), is diluted to 0.4 U/mL in KR buffer (10 mM Tris-HCl, 10 mM MgCl2, 0.01% Tween-20, 0.05% NaN3, 1 mM D...


US Patent US10239883 (2019)

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


(Homo sapiens (Human))
BDBM340113
PNG
((S)-4-(8-amino-3-(1-but-2- ynoylpyrrolidin-2-yl)im...)
Show SMILES CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cc(F)ccn2)c2c(N)nccn12
Show InChI InChI=1/C26H22FN7O2/c1-2-4-21(35)33-13-3-5-19(33)25-32-22(23-24(28)30-12-14-34(23)25)16-6-8-17(9-7-16)26(36)31-20-15-18(27)10-11-29-20/h6-12,14-15,19H,3,5,13H2,1H3,(H2,28,30)(H,29,31,36)/t19-/s2
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n/an/an/an/a 55n/an/an/an/a



Merck Sharp & Dohme B.V.

US Patent


Assay Description
Btk enzyme (His-Btk (Millipore catalog #14-552), is diluted to 0.4 U/mL in KR buffer (10 mM Tris-HCl, 10 mM MgCl2, 0.01% Tween-20, 0.05% NaN3, 1 mM D...


US Patent US10239883 (2019)

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


(Homo sapiens (Human))
BDBM340123
PNG
(US10239883, Example 10 | US9758524, Example 10)
Show SMILES CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12
Show InChI InChI=1/C27H22F3N7O2/c1-2-4-21(38)36-13-3-5-19(36)25-35-22(23-24(31)33-12-14-37(23)25)16-6-8-17(9-7-16)26(39)34-20-15-18(10-11-32-20)27(28,29)30/h6-12,14-15,19H,3,5,13H2,1H3,(H2,31,33)(H,32,34,39)/t19-/s2
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Merck Sharp & Dohme B.V.

US Patent


Assay Description
Btk enzyme (His-Btk (Millipore catalog #14-552), is diluted to 0.4 U/mL in KR buffer (10 mM Tris-HCl, 10 mM MgCl2, 0.01% Tween-20, 0.05% NaN3, 1 mM D...


US Patent US10239883 (2019)

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


(Homo sapiens (Human))
BDBM340126
PNG
(US10239883, Example 14 | US9758524, Example 14)
Show SMILES COc1cc(ccc1C(=O)Nc1ccccn1)-c1nc([C@@H]2CCCN2C(=O)C=C)n2ccnc(N)c12
Show InChI InChI=1/C26H25N7O3/c1-3-21(34)32-13-6-7-18(32)25-31-22(23-24(27)29-12-14-33(23)25)16-9-10-17(19(15-16)36-2)26(35)30-20-8-4-5-11-28-20/h3-5,8-12,14-15,18H,1,6-7,13H2,2H3,(H2,27,29)(H,28,30,35)/t18-/s2
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Merck Sharp & Dohme B.V.

US Patent


Assay Description
Btk enzyme (His-Btk (Millipore catalog #14-552), is diluted to 0.4 U/mL in KR buffer (10 mM Tris-HCl, 10 mM MgCl2, 0.01% Tween-20, 0.05% NaN3, 1 mM D...


US Patent US10239883 (2019)

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


(Homo sapiens (Human))
BDBM340139
PNG
(US10239883, Example 28 | US9758524, Example 28)
Show SMILES CC#CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(cc2C)C(=O)Nc2ccccn2)c2c(N)nccn12
Show InChI InChI=1/C28H27N7O2/c1-3-8-23(36)34-15-7-5-9-21(34)27-33-24(25-26(29)31-14-16-35(25)27)20-12-11-19(17-18(20)2)28(37)32-22-10-4-6-13-30-22/h4,6,10-14,16-17,21H,5,7,9,15H2,1-2H3,(H2,29,31)(H,30,32,37)/t21-/s2
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Merck Sharp & Dohme B.V.

US Patent


Assay Description
Btk enzyme (His-Btk (Millipore catalog #14-552), is diluted to 0.4 U/mL in KR buffer (10 mM Tris-HCl, 10 mM MgCl2, 0.01% Tween-20, 0.05% NaN3, 1 mM D...


US Patent US10239883 (2019)

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


(Homo sapiens (Human))
BDBM340152
PNG
((S)-4-(3-(1-acryloylpyrrolidin-2-yl)- 8-aminoimida...)
Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)N3CCCC3)c12)[C@@H]1CCCN1C(=O)C=C
Show InChI InChI=1/C29H30N8O2/c1-2-24(38)36-16-5-6-22(36)28-34-25(26-27(30)32-13-17-37(26)28)19-7-9-20(10-8-19)29(39)33-23-18-21(11-12-31-23)35-14-3-4-15-35/h2,7-13,17-18,22H,1,3-6,14-16H2,(H2,30,32)(H,31,33,39)/t22-/s2
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Merck Sharp & Dohme B.V.

US Patent


Assay Description
Btk enzyme (His-Btk (Millipore catalog #14-552), is diluted to 0.4 U/mL in KR buffer (10 mM Tris-HCl, 10 mM MgCl2, 0.01% Tween-20, 0.05% NaN3, 1 mM D...


US Patent US10239883 (2019)

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


(Homo sapiens (Human))
BDBM340162
PNG
((S)-4-(8-amino-3-(1-but-2- ynoylpiperidin-2-yl)imi...)
Show SMILES CCCc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCCN3C(=O)C#CC)n3ccnc(N)c23)c1
Show InChI InChI=1/C30H31N7O2/c1-3-7-20-14-15-32-24(19-20)34-30(39)22-12-10-21(11-13-22)26-27-28(31)33-16-18-37(27)29(35-26)23-9-5-6-17-36(23)25(38)8-4-2/h10-16,18-19,23H,3,5-7,9,17H2,1-2H3,(H2,31,33)(H,32,34,39)/t23-/s2
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Merck Sharp & Dohme B.V.

US Patent


Assay Description
Btk enzyme (His-Btk (Millipore catalog #14-552), is diluted to 0.4 U/mL in KR buffer (10 mM Tris-HCl, 10 mM MgCl2, 0.01% Tween-20, 0.05% NaN3, 1 mM D...


US Patent US10239883 (2019)

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


(Homo sapiens (Human))
BDBM340119
PNG
(US10239883, Example 3 | US9758524, Example 127 | U...)
Show SMILES CN(C)C\C=C\C(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12
Show InChI InChI=1/C28H30N8O2/c1-34(2)16-6-9-23(37)35-17-5-7-21(35)27-33-24(25-26(29)31-15-18-36(25)27)19-10-12-20(13-11-19)28(38)32-22-8-3-4-14-30-22/h3-4,6,8-15,18,21H,5,7,16-17H2,1-2H3,(H2,29,31)(H,30,32,38)/b9-6+/t21-/s2
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Merck Sharp & Dohme B.V.

US Patent


Assay Description
Btk enzyme (His-Btk (Millipore catalog #14-552), is diluted to 0.4 U/mL in KR buffer (10 mM Tris-HCl, 10 mM MgCl2, 0.01% Tween-20, 0.05% NaN3, 1 mM D...


US Patent US10239883 (2019)

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


(Homo sapiens (Human))
BDBM340195
PNG
((S)-4-(8-amino-3-(1-but-2- ynoylpyrrolidin-2-yl)im...)
Show SMILES CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)-c2ccccc2)c2c(N)nccn12
Show InChI InChI=1/C32H27N7O2/c1-2-7-27(40)38-18-6-10-25(38)31-37-28(29-30(33)35-17-19-39(29)31)22-11-13-23(14-12-22)32(41)36-26-20-24(15-16-34-26)21-8-4-3-5-9-21/h3-5,8-9,11-17,19-20,25H,6,10,18H2,1H3,(H2,33,35)(H,34,36,41)/t25-/s2
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Merck Sharp & Dohme B.V.

US Patent


Assay Description
Btk enzyme (His-Btk (Millipore catalog #14-552), is diluted to 0.4 U/mL in KR buffer (10 mM Tris-HCl, 10 mM MgCl2, 0.01% Tween-20, 0.05% NaN3, 1 mM D...


US Patent US10239883 (2019)

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


(Homo sapiens (Human))
BDBM340196
PNG
((S)-4-(3-(1-acryloylpyrrolidin-2-yl)- 8-aminoimida...)
Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)-c3ccccc3)c12)[C@@H]1CCCN1C(=O)C=C
Show InChI InChI=1/C31H27N7O2/c1-2-26(39)37-17-6-9-24(37)30-36-27(28-29(32)34-16-18-38(28)30)21-10-12-22(13-11-21)31(40)35-25-19-23(14-15-33-25)20-7-4-3-5-8-20/h2-5,7-8,10-16,18-19,24H,1,6,9,17H2,(H2,32,34)(H,33,35,40)/t24-/s2
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Merck Sharp & Dohme B.V.

US Patent


Assay Description
Btk enzyme (His-Btk (Millipore catalog #14-552), is diluted to 0.4 U/mL in KR buffer (10 mM Tris-HCl, 10 mM MgCl2, 0.01% Tween-20, 0.05% NaN3, 1 mM D...


US Patent US10239883 (2019)

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


(Homo sapiens (Human))
BDBM372277
PNG
(US10239883, Example 2)
Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)[C@@H]1CCCN1C(=O)\C=C\CN1CCCC1
Show InChI InChI=1/C30H32N8O2/c31-28-27-26(21-10-12-22(13-11-21)30(40)34-24-8-1-2-14-32-24)35-29(38(27)20-15-33-28)23-7-5-19-37(23)25(39)9-6-18-36-16-3-4-17-36/h1-2,6,8-15,20,23H,3-5,7,16-19H2,(H2,31,33)(H,32,34,40)/b9-6+/t23-/s2
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Merck Sharp & Dohme B.V.

US Patent


Assay Description
Lck enzyme (Millipore catalog #14-442), is diluted to 0.4 U/mL in KR buffer (10 mM Tris-HCl, 10 mM MgCl2, 0.01% Tween-20, 0.05% NaN3, 1 mM DTT, 2 mM ...


US Patent US10239883 (2019)

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


(Homo sapiens (Human))
BDBM340130
PNG
(US10239883, Example 18 | US9758524, Example 18)
Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C#N)c12)[C@@H]1CCCCN1C(=O)C=C
Show InChI InChI=1/C27H24N8O2/c1-2-22(36)34-13-4-3-5-20(34)26-33-23(24-25(29)31-12-14-35(24)26)18-6-8-19(9-7-18)27(37)32-21-15-17(16-28)10-11-30-21/h2,6-12,14-15,20H,1,3-5,13H2,(H2,29,31)(H,30,32,37)/t20-/s2
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Merck Sharp & Dohme B.V.

US Patent


Assay Description
Lck enzyme (Millipore catalog #14-442), is diluted to 0.4 U/mL in KR buffer (10 mM Tris-HCl, 10 mM MgCl2, 0.01% Tween-20, 0.05% NaN3, 1 mM DTT, 2 mM ...


US Patent US10239883 (2019)

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


(Homo sapiens (Human))
BDBM340097
PNG
((S)-4-(8-amino-3-(1-(2-chloro pyrimidine-4-carbony...)
Show SMILES CC(C)c1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCN3C(=O)c3ccnc(Cl)n3)n3ccnc(N)c23)c1
Show InChI InChI=1/C30H28ClN9O2/c1-17(2)20-9-11-33-23(16-20)37-28(41)19-7-5-18(6-8-19)24-25-26(32)34-13-15-40(25)27(38-24)22-4-3-14-39(22)29(42)21-10-12-35-30(31)36-21/h5-13,15-17,22H,3-4,14H2,1-2H3,(H2,32,34)(H,33,37,41)/t22-/s2
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Merck Sharp & Dohme B.V.

US Patent


Assay Description
Lck enzyme (Millipore catalog #14-442), is diluted to 0.4 U/mL in KR buffer (10 mM Tris-HCl, 10 mM MgCl2, 0.01% Tween-20, 0.05% NaN3, 1 mM DTT, 2 mM ...


US Patent US10239883 (2019)

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


(Homo sapiens (Human))
BDBM340069
PNG
((S,E)-4-(8-amino-3-(1-(4- methoxybut-2-enoyl)piper...)
Show SMILES COC\C=C\C(=O)N1CCCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cccnn2)c2c(N)nccn12
Show InChI InChI=1/C27H28N8O3/c1-38-17-5-8-22(36)34-15-3-2-6-20(34)26-32-23(24-25(28)29-14-16-35(24)26)18-9-11-19(12-10-18)27(37)31-21-7-4-13-30-33-21/h4-5,7-14,16,20H,2-3,6,15,17H2,1H3,(H2,28,29)(H,31,33,37)/b8-5+/t20-/s2
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Merck Sharp & Dohme B.V.

US Patent


Assay Description
Lck enzyme (Millipore catalog #14-442), is diluted to 0.4 U/mL in KR buffer (10 mM Tris-HCl, 10 mM MgCl2, 0.01% Tween-20, 0.05% NaN3, 1 mM DTT, 2 mM ...


US Patent US10239883 (2019)

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


(Homo sapiens (Human))
BDBM340070
PNG
((S)-4-(8-amino-3-(1-(2- chloropyrimidine-4- carbon...)
Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cccnn3)c12)[C@@H]1CCCCN1C(=O)c1ccnc(Cl)n1
Show InChI InChI=1/C27H23ClN10O2/c28-27-31-12-10-18(33-27)26(40)37-14-2-1-4-19(37)24-35-21(22-23(29)30-13-15-38(22)24)16-6-8-17(9-7-16)25(39)34-20-5-3-11-32-36-20/h3,5-13,15,19H,1-2,4,14H2,(H2,29,30)(H,34,36,39)/t19-/s2
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n/an/an/an/a>1.00E+3n/an/an/an/a



Merck Sharp & Dohme B.V.

US Patent


Assay Description
Lck enzyme (Millipore catalog #14-442), is diluted to 0.4 U/mL in KR buffer (10 mM Tris-HCl, 10 mM MgCl2, 0.01% Tween-20, 0.05% NaN3, 1 mM DTT, 2 mM ...


US Patent US10239883 (2019)

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


(Homo sapiens (Human))
BDBM340169
PNG
((S,E)-4-(8-amino-3-(1-(4- (dimethylamino)but-2- en...)
Show SMILES CN(C)C\C=C\C(=O)N1CCCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12
Show InChI InChI=1/C29H32N8O2/c1-35(2)17-7-10-24(38)36-18-6-4-8-22(36)28-34-25(26-27(30)32-16-19-37(26)28)20-11-13-21(14-12-20)29(39)33-23-9-3-5-15-31-23/h3,5,7,9-16,19,22H,4,6,8,17-18H2,1-2H3,(H2,30,32)(H,31,33,39)/b10-7+/t22-/s2
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Merck Sharp & Dohme B.V.

US Patent


Assay Description
Lck enzyme (Millipore catalog #14-442), is diluted to 0.4 U/mL in KR buffer (10 mM Tris-HCl, 10 mM MgCl2, 0.01% Tween-20, 0.05% NaN3, 1 mM DTT, 2 mM ...


US Patent US10239883 (2019)

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


(Homo sapiens (Human))
BDBM340072
PNG
((S,E)-4-(8-amino-3-(1-(4- methoxybut-2-enoyl)piper...)
Show SMILES COC\C=C\C(=O)N1CCCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccncn2)c2c(N)nccn12
Show InChI InChI=1/C27H28N8O3/c1-38-16-4-6-22(36)34-14-3-2-5-20(34)26-33-23(24-25(28)30-13-15-35(24)26)18-7-9-19(10-8-18)27(37)32-21-11-12-29-17-31-21/h4,6-13,15,17,20H,2-3,5,14,16H2,1H3,(H2,28,30)(H,29,31,32,37)/b6-4+/t20-/s2
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Merck Sharp & Dohme B.V.

US Patent


Assay Description
Lck enzyme (Millipore catalog #14-442), is diluted to 0.4 U/mL in KR buffer (10 mM Tris-HCl, 10 mM MgCl2, 0.01% Tween-20, 0.05% NaN3, 1 mM DTT, 2 mM ...


US Patent US10239883 (2019)

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


(Homo sapiens (Human))
BDBM340105
PNG
((S)-4-(8-amino-3-(1-but-2- ynoylpiperidin-2-yl)imi...)
Show SMILES CC#CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2nccc(C)n2)c2c(N)nccn12
Show InChI InChI=1/C27H26N8O2/c1-3-6-21(36)34-15-5-4-7-20(34)25-32-22(23-24(28)29-14-16-35(23)25)18-8-10-19(11-9-18)26(37)33-27-30-13-12-17(2)31-27/h8-14,16,20H,4-5,7,15H2,1-2H3,(H2,28,29)(H,30,31,33,37)/t20-/s2
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Merck Sharp & Dohme B.V.

US Patent


Assay Description
Lck enzyme (Millipore catalog #14-442), is diluted to 0.4 U/mL in KR buffer (10 mM Tris-HCl, 10 mM MgCl2, 0.01% Tween-20, 0.05% NaN3, 1 mM DTT, 2 mM ...


US Patent US10239883 (2019)

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


(Homo sapiens (Human))
BDBM340107
PNG
((S)-4-(8-amino-3-(1-but-2- ynoylpyrrolidin-2-yl)im...)
Show SMILES CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)N2CCCC2)c2c(N)nccn12
Show InChI InChI=1/C30H30N8O2/c1-2-6-25(39)37-17-5-7-23(37)29-35-26(27-28(31)33-14-18-38(27)29)20-8-10-21(11-9-20)30(40)34-24-19-22(12-13-32-24)36-15-3-4-16-36/h8-14,18-19,23H,3-5,7,15-17H2,1H3,(H2,31,33)(H,32,34,40)/t23-/s2
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Merck Sharp & Dohme B.V.

US Patent


Assay Description
Lck enzyme (Millipore catalog #14-442), is diluted to 0.4 U/mL in KR buffer (10 mM Tris-HCl, 10 mM MgCl2, 0.01% Tween-20, 0.05% NaN3, 1 mM DTT, 2 mM ...


US Patent US10239883 (2019)

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


(Homo sapiens (Human))
BDBM340108
PNG
((E)-4-(8-amino-3-(1-(4-methoxybut- 2-enoyl)azepan-...)
Show SMILES COC\C=C\C(=O)N1CCCCCC1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12
Show InChI InChI=1/C29H31N7O3/c1-39-19-7-10-24(37)35-17-6-2-3-8-22(35)28-34-25(26-27(30)32-16-18-36(26)28)20-11-13-21(14-12-20)29(38)33-23-9-4-5-15-31-23/h4-5,7,9-16,18,22H,2-3,6,8,17,19H2,1H3,(H2,30,32)(H,31,33,38)/b10-7+
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Merck Sharp & Dohme B.V.

US Patent


Assay Description
Lck enzyme (Millipore catalog #14-442), is diluted to 0.4 U/mL in KR buffer (10 mM Tris-HCl, 10 mM MgCl2, 0.01% Tween-20, 0.05% NaN3, 1 mM DTT, 2 mM ...


US Patent US10239883 (2019)

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


(Homo sapiens (Human))
BDBM340109
PNG
((S,E)-4-(8-amino-3-(1-(4- methoxybut-2-enoyl)pyrro...)
Show SMILES COC\C=C\C(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C#N)c2c(N)nccn12
Show InChI InChI=1/C28H26N8O3/c1-39-15-3-5-23(37)35-13-2-4-21(35)27-34-24(25-26(30)32-12-14-36(25)27)19-6-8-20(9-7-19)28(38)33-22-16-18(17-29)10-11-31-22/h3,5-12,14,16,21H,2,4,13,15H2,1H3,(H2,30,32)(H,31,33,38)/b5-3+/t21-/s2
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Merck Sharp & Dohme B.V.

US Patent


Assay Description
Lck enzyme (Millipore catalog #14-442), is diluted to 0.4 U/mL in KR buffer (10 mM Tris-HCl, 10 mM MgCl2, 0.01% Tween-20, 0.05% NaN3, 1 mM DTT, 2 mM ...


US Patent US10239883 (2019)

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


(Homo sapiens (Human))
BDBM340111
PNG
((S,E)-4-(8-amino-3-(1-(4- methoxybut-2-enoyl)pyrro...)
Show SMILES COC\C=C\C(=O)N1CCC[C@H]1c1nc(-c2ccc(C(=O)Nc3ccccn3)c(OC)c2)c2c(N)nccn12
Show InChI InChI=1/C28H29N7O4/c1-38-16-6-9-23(36)34-14-5-7-20(34)27-33-24(25-26(29)31-13-15-35(25)27)18-10-11-19(21(17-18)39-2)28(37)32-22-8-3-4-12-30-22/h3-4,6,8-13,15,17,20H,5,7,14,16H2,1-2H3,(H2,29,31)(H,30,32,37)/b9-6+/t20-/s2
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n/an/an/an/a>1.00E+3n/an/an/an/a



Merck Sharp & Dohme B.V.

US Patent


Assay Description
Lck enzyme (Millipore catalog #14-442), is diluted to 0.4 U/mL in KR buffer (10 mM Tris-HCl, 10 mM MgCl2, 0.01% Tween-20, 0.05% NaN3, 1 mM DTT, 2 mM ...


US Patent US10239883 (2019)

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


(Homo sapiens (Human))
BDBM340174
PNG
((S)-4-(8-amino-3-(1-(2- chloropyrimidine-4- carbon...)
Show SMILES CCCc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCCN3C(=O)c3ccnc(Cl)n3)n3ccnc(N)c23)c1
Show InChI InChI=1/C31H30ClN9O2/c1-2-5-19-11-13-34-24(18-19)38-29(42)21-9-7-20(8-10-21)25-26-27(33)35-15-17-41(26)28(39-25)23-6-3-4-16-40(23)30(43)22-12-14-36-31(32)37-22/h7-15,17-18,23H,2-6,16H2,1H3,(H2,33,35)(H,34,38,42)/t23-/s2
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Merck Sharp & Dohme B.V.

US Patent


Assay Description
Lck enzyme (Millipore catalog #14-442), is diluted to 0.4 U/mL in KR buffer (10 mM Tris-HCl, 10 mM MgCl2, 0.01% Tween-20, 0.05% NaN3, 1 mM DTT, 2 mM ...


US Patent US10239883 (2019)

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


(Homo sapiens (Human))
BDBM340114
PNG
(4-(8-amino-3-(but-2- ynamidomethyl)imidazo[1,5- a]...)
Show SMILES CC#CC(=O)NCc1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12
Show InChI InChI=1S/C23H19N7O2/c1-2-5-19(31)27-14-18-29-20(21-22(24)26-12-13-30(18)21)15-7-9-16(10-8-15)23(32)28-17-6-3-4-11-25-17/h3-4,6-13H,14H2,1H3,(H2,24,26)(H,27,31)(H,25,28,32)
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Merck Sharp & Dohme B.V.

US Patent


Assay Description
Lck enzyme (Millipore catalog #14-442), is diluted to 0.4 U/mL in KR buffer (10 mM Tris-HCl, 10 mM MgCl2, 0.01% Tween-20, 0.05% NaN3, 1 mM DTT, 2 mM ...


US Patent US10239883 (2019)

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


(Homo sapiens (Human))
BDBM340182
PNG
((S)-4-(8-amino-3-(1-(2- chloropyrimidine-4- carbon...)
Show SMILES CCc1cnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCCN3C(=O)c3ccnc(Cl)n3)n3ccnc(N)c23)s1
Show InChI InChI=1/C28H26ClN9O2S/c1-2-18-15-33-28(41-18)36-25(39)17-8-6-16(7-9-17)21-22-23(30)31-12-14-38(22)24(35-21)20-5-3-4-13-37(20)26(40)19-10-11-32-27(29)34-19/h6-12,14-15,20H,2-5,13H2,1H3,(H2,30,31)(H,33,36,39)/t20-/s2
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Merck Sharp & Dohme B.V.

US Patent


Assay Description
Lck enzyme (Millipore catalog #14-442), is diluted to 0.4 U/mL in KR buffer (10 mM Tris-HCl, 10 mM MgCl2, 0.01% Tween-20, 0.05% NaN3, 1 mM DTT, 2 mM ...


US Patent US10239883 (2019)

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


(Homo sapiens (Human))
BDBM340191
PNG
((S,E)-4-(8-amino-3-(1-(4- methoxybut-2-enoyl)pyrro...)
Show SMILES COC\C=C\C(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12
Show InChI InChI=1/C28H26F3N7O3/c1-41-15-3-5-22(39)37-13-2-4-20(37)26-36-23(24-25(32)34-12-14-38(24)26)17-6-8-18(9-7-17)27(40)35-21-16-19(10-11-33-21)28(29,30)31/h3,5-12,14,16,20H,2,4,13,15H2,1H3,(H2,32,34)(H,33,35,40)/b5-3+/t20-/s2
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Merck Sharp & Dohme B.V.

US Patent


Assay Description
Lck enzyme (Millipore catalog #14-442), is diluted to 0.4 U/mL in KR buffer (10 mM Tris-HCl, 10 mM MgCl2, 0.01% Tween-20, 0.05% NaN3, 1 mM DTT, 2 mM ...


US Patent US10239883 (2019)

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


(Homo sapiens (Human))
BDBM340160
PNG
((S)-4-(3-(1-acryloylpyrrolidin-2-yl)- 8-aminoimida...)
Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCCN1C(=O)C=C
Show InChI InChI=1/C26H22F3N7O2/c1-2-20(37)35-12-3-4-18(35)24-34-21(22-23(30)32-11-13-36(22)24)15-5-7-16(8-6-15)25(38)33-19-14-17(9-10-31-19)26(27,28)29/h2,5-11,13-14,18H,1,3-4,12H2,(H2,30,32)(H,31,33,38)/t18-/s2
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Merck Sharp & Dohme B.V.

US Patent


Assay Description
Lck enzyme (Millipore catalog #14-442), is diluted to 0.4 U/mL in KR buffer (10 mM Tris-HCl, 10 mM MgCl2, 0.01% Tween-20, 0.05% NaN3, 1 mM DTT, 2 mM ...


US Patent US10239883 (2019)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM340118
PNG
(US10239883, Example 1 | US9758524, Example 1)
Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)[C@@H]1CCCN1C(=O)C=C
Show InChI InChI=1/C25H23N7O2/c1-2-20(33)31-14-5-6-18(31)24-30-21(22-23(26)28-13-15-32(22)24)16-8-10-17(11-9-16)25(34)29-19-7-3-4-12-27-19/h2-4,7-13,15,18H,1,5-6,14H2,(H2,26,28)(H,27,29,34)/t18-/s2
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Merck Sharp & Dohme B.V.

US Patent


Assay Description
Src enzyme (Millipore catalog #14-326), is diluted to 0.8 U/mL in KR buffer (10 mM Tris-HCl, 10 mM MgCl2, 0.01% Tween-20, 0.05% NaN3, 1 mM DTT, 2 mM ...


US Patent US10239883 (2019)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM340082
PNG
(US10239883, Example 5 | US9758524, Example 5)
Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)[C@@H]1CCCN1C(=O)c1ccnc(Cl)n1
Show InChI InChI=1/C27H22ClN9O2/c28-27-32-12-10-18(33-27)26(39)36-14-3-4-19(36)24-35-21(22-23(29)31-13-15-37(22)24)16-6-8-17(9-7-16)25(38)34-20-5-1-2-11-30-20/h1-2,5-13,15,19H,3-4,14H2,(H2,29,31)(H,30,34,38)/t19-/s2
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Merck Sharp & Dohme B.V.

US Patent


Assay Description
Src enzyme (Millipore catalog #14-326), is diluted to 0.8 U/mL in KR buffer (10 mM Tris-HCl, 10 mM MgCl2, 0.01% Tween-20, 0.05% NaN3, 1 mM DTT, 2 mM ...


US Patent US10239883 (2019)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM340123
PNG
(US10239883, Example 10 | US9758524, Example 10)
Show SMILES CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12
Show InChI InChI=1/C27H22F3N7O2/c1-2-4-21(38)36-13-3-5-19(36)25-35-22(23-24(31)33-12-14-37(23)25)16-6-8-17(9-7-16)26(39)34-20-15-18(10-11-32-20)27(28,29)30/h6-12,14-15,19H,3,5,13H2,1H3,(H2,31,33)(H,32,34,39)/t19-/s2
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Merck Sharp & Dohme B.V.

US Patent


Assay Description
Src enzyme (Millipore catalog #14-326), is diluted to 0.8 U/mL in KR buffer (10 mM Tris-HCl, 10 mM MgCl2, 0.01% Tween-20, 0.05% NaN3, 1 mM DTT, 2 mM ...


US Patent US10239883 (2019)

More data for this
Ligand-Target Pair
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