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Patent code US9758524

Compile Data Set for Download or QSAR

Found 664 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 Lck


(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=1S/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-/m0/s1
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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 activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below.Lck enzyme (M...


US Patent US9758524 (2017)

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


(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=1S/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-/m0/s1
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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 activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below.Lck enzyme (M...


US Patent US9758524 (2017)

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=1S/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-/m0/s1
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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 activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below.Lck enzyme (M...


US Patent US9758524 (2017)

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


(Homo sapiens (Human))
BDBM340186
PNG
((S)-4-(8-amino-3-(1-but-2- ynoylpyrrolidin-2-yl)im...)
Show SMILES COc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCN3C(=O)C#CC)n3ccnc(N)c23)c1
Show InChI InChI=1S/C27H25N7O3/c1-3-5-22(35)33-14-4-6-20(33)26-32-23(24-25(28)30-13-15-34(24)26)17-7-9-18(10-8-17)27(36)31-21-16-19(37-2)11-12-29-21/h7-13,15-16,20H,4,6,14H2,1-2H3,(H2,28,30)(H,29,31,36)/t20-/m0/s1
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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 activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below.Lck enzyme (M...


US Patent US9758524 (2017)

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


(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=1S/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-/m0/s1
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n/an/an/an/a 550n/an/an/an/a



Merck Sharp & Dohme B.V.

US Patent


Assay Description
Lck enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below.Lck enzyme (M...


US Patent US9758524 (2017)

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


(Homo sapiens (Human))
BDBM340135
PNG
(US9758524, Example 23)
Show SMILES CC#CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cccnn2)c2c(N)nccn12
Show InChI InChI=1S/C26H24N8O2/c1-2-6-21(35)33-15-4-3-7-19(33)25-31-22(23-24(27)28-14-16-34(23)25)17-9-11-18(12-10-17)26(36)30-20-8-5-13-29-32-20/h5,8-14,16,19H,3-4,7,15H2,1H3,(H2,27,28)(H,30,32,36)/t19-/m0/s1
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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
Src enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below.Src enzyme (M...


US Patent US9758524 (2017)

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


(Homo sapiens (Human))
BDBM340155
PNG
((S)-4-(3-(1-acryloylpiperidin-2-yl)-8- aminoimidaz...)
Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)[C@@H]1CCCCN1C(=O)C=C
Show InChI InChI=1S/C26H25N7O2/c1-2-21(34)32-15-6-4-7-19(32)25-31-22(23-24(27)29-14-16-33(23)25)17-9-11-18(12-10-17)26(35)30-20-8-3-5-13-28-20/h2-3,5,8-14,16,19H,1,4,6-7,15H2,(H2,27,29)(H,28,30,35)/t19-/m0/s1
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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
Src enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below.Src enzyme (M...


US Patent US9758524 (2017)

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


(Homo sapiens (Human))
BDBM340064
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(F)c2)c2c(N)nccn12
Show InChI InChI=1S/C27H26FN7O3/c1-38-15-5-8-22(36)34-13-4-6-20(34)26-33-23(24-25(29)31-12-14-35(24)26)17-9-10-18(19(28)16-17)27(37)32-21-7-2-3-11-30-21/h2-3,5,7-12,14,16,20H,4,6,13,15H2,1H3,(H2,29,31)(H,30,32,37)/b8-5+/t20-/m0/s1
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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
Src enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below.Src enzyme (M...


US Patent US9758524 (2017)

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


(Homo sapiens (Human))
BDBM340095
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)Nc2nccs2)c2c(N)nccn12
Show InChI InChI=1S/C24H21N7O2S/c1-2-4-18(32)30-12-3-5-17(30)22-28-19(20-21(25)26-10-13-31(20)22)15-6-8-16(9-7-15)23(33)29-24-27-11-14-34-24/h6-11,13-14,17H,3,5,12H2,1H3,(H2,25,26)(H,27,29,33)/t17-/m0/s1
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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
Src enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below.Src enzyme (M...


US Patent US9758524 (2017)

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


(Homo sapiens (Human))
BDBM340159
PNG
((S)-4-(3-(1-acryloylpiperidin-2-yl)-8- aminoimidaz...)
Show SMILES CCCc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCCN3C(=O)C=C)n3ccnc(N)c23)c1
Show InChI InChI=1S/C29H31N7O2/c1-3-7-19-13-14-31-23(18-19)33-29(38)21-11-9-20(10-12-21)25-26-27(30)32-15-17-36(26)28(34-25)22-8-5-6-16-35(22)24(37)4-2/h4,9-15,17-18,22H,2-3,5-8,16H2,1H3,(H2,30,32)(H,31,33,38)/t22-/m0/s1
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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
Src enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below.Src enzyme (M...


US Patent US9758524 (2017)

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


(Homo sapiens (Human))
BDBM340102
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)Nc2nc3CCCCc3s2)c2c(N)nccn12
Show InChI InChI=1S/C29H31N7O3S/c1-39-17-5-9-23(37)35-15-4-7-21(35)27-33-24(25-26(30)31-14-16-36(25)27)18-10-12-19(13-11-18)28(38)34-29-32-20-6-2-3-8-22(20)40-29/h5,9-14,16,21H,2-4,6-8,15,17H2,1H3,(H2,30,31)(H,32,34,38)/b9-5+/t21-/m0/s1
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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
Src enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below.Src enzyme (M...


US Patent US9758524 (2017)

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


(Homo sapiens (Human))
BDBM340073
PNG
(4-(8-amino-3-((S)-1-((E)-4- methoxybut-2-enoyl)pyr...)
Show SMILES CCCc1ccnc(NC(=O)c2ccc(-c3nc([C@@H]4CCCN4C(=O)\C=C\COC)n4ccnc(N)c34)c(C)c2)c1
Show InChI InChI=1S/C31H35N7O3/c1-4-7-21-12-13-33-25(19-21)35-31(40)22-10-11-23(20(2)18-22)27-28-29(32)34-14-16-38(28)30(36-27)24-8-5-15-37(24)26(39)9-6-17-41-3/h6,9-14,16,18-19,24H,4-5,7-8,15,17H2,1-3H3,(H2,32,34)(H,33,35,40)/b9-6+/t24-/m0/s1
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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
Src enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below.Src enzyme (M...


US Patent US9758524 (2017)

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


(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=1S/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-/m0/s1
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Merck Sharp & Dohme B.V.

US Patent


Assay Description
Src enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below.Src enzyme (M...


US Patent US9758524 (2017)

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


(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=1S/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-/m0/s1
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Merck Sharp & Dohme B.V.

US Patent


Assay Description
Src enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below.Src enzyme (M...


US Patent US9758524 (2017)

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


(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=1S/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-/m0/s1
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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
Src enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below.Src enzyme (M...


US Patent US9758524 (2017)

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


(Homo sapiens (Human))
BDBM340185
PNG
((S)-4-(3-(1-acryloylpyrrolidin-2-yl)- 8-aminoimida...)
Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C#N)c12)[C@@H]1CCCN1C(=O)C=C
Show InChI InChI=1S/C26H22N8O2/c1-2-21(35)33-12-3-4-19(33)25-32-22(23-24(28)30-11-13-34(23)25)17-5-7-18(8-6-17)26(36)31-20-14-16(15-27)9-10-29-20/h2,5-11,13-14,19H,1,3-4,12H2,(H2,28,30)(H,29,31,36)/t19-/m0/s1
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Merck Sharp & Dohme B.V.

US Patent


Assay Description
Src enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below.Src enzyme (M...


US Patent US9758524 (2017)

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


(Homo sapiens (Human))
BDBM340082
PNG
(US9758524, Example 5)
Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)[C@@H]1CCCN1C(=O)c1ccnc(Cl)n1
Show InChI InChI=1S/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-/m0/s1
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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
FynT enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below.FynT enzyme ...


US Patent US9758524 (2017)

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


(Homo sapiens (Human))
BDBM340122
PNG
(US9758524, Example 9)
Show SMILES CCCc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCN3C(=O)\C=C\COC)n3ccnc(N)c23)c1
Show InChI InChI=1S/C30H33N7O3/c1-3-6-20-13-14-32-24(19-20)34-30(39)22-11-9-21(10-12-22)26-27-28(31)33-15-17-37(27)29(35-26)23-7-4-16-36(23)25(38)8-5-18-40-2/h5,8-15,17,19,23H,3-4,6-7,16,18H2,1-2H3,(H2,31,33)(H,32,34,39)/b8-5+/t23-/m0/s1
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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
FynT enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below.FynT enzyme ...


US Patent US9758524 (2017)

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


(Homo sapiens (Human))
BDBM340149
PNG
(US9758524, Example 38)
Show SMILES CC#CC(=O)N1CCOC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12
Show InChI InChI=1S/C26H23N7O3/c1-2-5-21(34)32-14-15-36-16-19(32)25-31-22(23-24(27)29-12-13-33(23)25)17-7-9-18(10-8-17)26(35)30-20-6-3-4-11-28-20/h3-4,6-13,19H,14-16H2,1H3,(H2,27,29)(H,28,30,35)/t19-/m0/s1
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Merck Sharp & Dohme B.V.

US Patent


Assay Description
FynT enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below.FynT enzyme ...


US Patent US9758524 (2017)

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


(Homo sapiens (Human))
BDBM340087
PNG
(US9758524, Example 40)
Show SMILES CN(C)CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12
Show InChI InChI=1S/C28H28N8O2/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/h3-4,8,10-15,18,21H,5,7,16-17H2,1-2H3,(H2,29,31)(H,30,32,38)/t21-/m0/s1
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Merck Sharp & Dohme B.V.

US Patent


Assay Description
FynT enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below.FynT enzyme ...


US Patent US9758524 (2017)

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


(Homo sapiens (Human))
BDBM340157
PNG
((S,E)-4-(8-amino-3-(1-(4-methoxy- N-methylbut-2- e...)
Show SMILES CCCc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@H](C)N(C)C(=O)\C=C\COC)n3ccnc(N)c23)c1
Show InChI InChI=1S/C29H33N7O3/c1-5-7-20-13-14-31-23(18-20)33-29(38)22-11-9-21(10-12-22)25-26-27(30)32-15-16-36(26)28(34-25)19(2)35(3)24(37)8-6-17-39-4/h6,8-16,18-19H,5,7,17H2,1-4H3,(H2,30,32)(H,31,33,38)/b8-6+/t19-/m0/s1
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Merck Sharp & Dohme B.V.

US Patent


Assay Description
FynT enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below.FynT enzyme ...


US Patent US9758524 (2017)

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


(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=1S/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-/m0/s1
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Merck Sharp & Dohme B.V.

US Patent


Assay Description
FynT enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below.FynT enzyme ...


US Patent US9758524 (2017)

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


(Homo sapiens (Human))
BDBM340163
PNG
((S,E)-4-(8-amino-3-(1-(4- (dimethylamino)but-2- en...)
Show SMILES CC(C)c1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCN3C(=O)\C=C\CN(C)C)n3ccnc(N)c23)c1
Show InChI InChI=1S/C31H36N8O2/c1-20(2)23-13-14-33-25(19-23)35-31(41)22-11-9-21(10-12-22)27-28-29(32)34-15-18-39(28)30(36-27)24-7-5-17-38(24)26(40)8-6-16-37(3)4/h6,8-15,18-20,24H,5,7,16-17H2,1-4H3,(H2,32,34)(H,33,35,41)/b8-6+/t24-/m0/s1
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Merck Sharp & Dohme B.V.

US Patent


Assay Description
FynT enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below.FynT enzyme ...


US Patent US9758524 (2017)

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


(Homo sapiens (Human))
BDBM340164
PNG
(4-(8-amino-3-((S)-1- (vinylsulfonyl)piperidin-2- y...)
Show SMILES Cc1cc(ccc1-c1nc([C@@H]2CCCCN2S(=O)(=O)C=C)n2ccnc(N)c12)C(=O)Nc1ccccn1
Show InChI InChI=1S/C26H27N7O3S/c1-3-37(35,36)33-14-7-5-8-20(33)25-31-22(23-24(27)29-13-15-32(23)25)19-11-10-18(16-17(19)2)26(34)30-21-9-4-6-12-28-21/h3-4,6,9-13,15-16,20H,1,5,7-8,14H2,2H3,(H2,27,29)(H,28,30,34)/t20-/m0/s1
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Merck Sharp & Dohme B.V.

US Patent


Assay Description
FynT enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below.FynT enzyme ...


US Patent US9758524 (2017)

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


(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=1S/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-/m0/s1
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Merck Sharp & Dohme B.V.

US Patent


Assay Description
FynT enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below.FynT enzyme ...


US Patent US9758524 (2017)

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


(Homo sapiens (Human))
BDBM340168
PNG
((S,E)-4-(8-amino-3-(1-(4- (pyrrolidin-1-yl)but-2- ...)
Show SMILES CCCc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCN3C(=O)\C=C\CN3CCCC3)n3ccnc(N)c23)c1
Show InChI InChI=1S/C33H38N8O2/c1-2-7-23-14-15-35-27(22-23)37-33(43)25-12-10-24(11-13-25)29-30-31(34)36-16-21-41(30)32(38-29)26-8-5-20-40(26)28(42)9-6-19-39-17-3-4-18-39/h6,9-16,21-22,26H,2-5,7-8,17-20H2,1H3,(H2,34,36)(H,35,37,43)/b9-6+/t26-/m0/s1
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Merck Sharp & Dohme B.V.

US Patent


Assay Description
FynT enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below.FynT enzyme ...


US Patent US9758524 (2017)

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


(Homo sapiens (Human))
BDBM340106
PNG
((E)-4-(8-amino-3-((4-methoxybut-2- enamido)methyl)...)
Show SMILES COC\C=C\C(=O)NCc1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12
Show InChI InChI=1S/C24H23N7O3/c1-34-14-4-6-20(32)28-15-19-30-21(22-23(25)27-12-13-31(19)22)16-7-9-17(10-8-16)24(33)29-18-5-2-3-11-26-18/h2-13H,14-15H2,1H3,(H2,25,27)(H,28,32)(H,26,29,33)/b6-4+
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Merck Sharp & Dohme B.V.

US Patent


Assay Description
FynT enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below.FynT enzyme ...


US Patent US9758524 (2017)

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


(Homo sapiens (Human))
BDBM340112
PNG
((S)-N-(1-(8-amino-1-(4-(pyridin-2- ylcarbamoyl)phe...)
Show SMILES CC(NC(=O)c1ccnc(Cl)n1)c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12
Show InChI InChI=1S/C25H20ClN9O2/c1-14(31-24(37)17-9-11-30-25(26)32-17)22-34-19(20-21(27)29-12-13-35(20)22)15-5-7-16(8-6-15)23(36)33-18-4-2-3-10-28-18/h2-14H,1H3,(H2,27,29)(H,31,37)(H,28,33,36)
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Merck Sharp & Dohme B.V.

US Patent


Assay Description
FynT enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below.FynT enzyme ...


US Patent US9758524 (2017)

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


(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=1S/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-/m0/s1
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Merck Sharp & Dohme B.V.

US Patent


Assay Description
FynT enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below.FynT enzyme ...


US Patent US9758524 (2017)

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


(Homo sapiens (Human))
BDBM340188
PNG
((S)-4-(3-(1-acryloylpyrrolidin-2-yl)- 8-aminoimida...)
Show SMILES CCCc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCN3C(=O)C=C)n3ccnc(N)c23)c1
Show InChI InChI=1S/C28H29N7O2/c1-3-6-18-12-13-30-22(17-18)32-28(37)20-10-8-19(9-11-20)24-25-26(29)31-14-16-35(25)27(33-24)21-7-5-15-34(21)23(36)4-2/h4,8-14,16-17,21H,2-3,5-7,15H2,1H3,(H2,29,31)(H,30,32,37)/t21-/m0/s1
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Merck Sharp & Dohme B.V.

US Patent


Assay Description
FynT enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below.FynT enzyme ...


US Patent US9758524 (2017)

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


(Homo sapiens (Human))
BDBM340080
PNG
(US9758524, Example 2)
Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)[C@@H]1CCCN1C(=O)\C=C\CC1CCCC1
Show InChI InChI=1S/C31H33N7O2/c32-29-28-27(22-13-15-23(16-14-22)31(40)35-25-11-3-4-17-33-25)36-30(38(28)20-18-34-29)24-10-6-19-37(24)26(39)12-5-9-21-7-1-2-8-21/h3-5,11-18,20-21,24H,1-2,6-10,19H2,(H2,32,34)(H,33,35,40)/b12-5+/t24-/m0/s1
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Merck Sharp & Dohme B.V.

US Patent


Assay Description
Lyn enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below.Lyn enzyme (M...


US Patent US9758524 (2017)

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


(Homo sapiens (Human))
BDBM340126
PNG
(US9758524, Example 14)
Show SMILES COc1cc(ccc1C(=O)Nc1ccccn1)-c1nc([C@@H]2CCCN2C(=O)C=C)n2ccnc(N)c12
Show InChI InChI=1S/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-/m0/s1
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Merck Sharp & Dohme B.V.

US Patent


Assay Description
Lyn enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below.Lyn enzyme (M...


US Patent US9758524 (2017)

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


(Homo sapiens (Human))
BDBM340128
PNG
(US9758524, Example 16)
Show SMILES COC\C=C\C(=O)N1CCCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12
Show InChI InChI=1S/C28H29N7O3/c1-38-18-6-9-23(36)34-16-5-3-7-21(34)27-33-24(25-26(29)31-15-17-35(25)27)19-10-12-20(13-11-19)28(37)32-22-8-2-4-14-30-22/h2,4,6,8-15,17,21H,3,5,7,16,18H2,1H3,(H2,29,31)(H,30,32,37)/b9-6+/t21-/m0/s1
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Merck Sharp & Dohme B.V.

US Patent


Assay Description
Lyn enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below.Lyn enzyme (M...


US Patent US9758524 (2017)

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


(Homo sapiens (Human))
BDBM340154
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)Nc2ccccn2)c2c(N)nccn12
Show InChI InChI=1S/C27H25N7O2/c1-2-7-22(35)33-16-6-4-8-20(33)26-32-23(24-25(28)30-15-17-34(24)26)18-10-12-19(13-11-18)27(36)31-21-9-3-5-14-29-21/h3,5,9-15,17,20H,4,6,8,16H2,1H3,(H2,28,30)(H,29,31,36)/t20-/m0/s1
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Merck Sharp & Dohme B.V.

US Patent


Assay Description
Lyn enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below.Lyn enzyme (M...


US Patent US9758524 (2017)

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


(Homo sapiens (Human))
BDBM340155
PNG
((S)-4-(3-(1-acryloylpiperidin-2-yl)-8- aminoimidaz...)
Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)[C@@H]1CCCCN1C(=O)C=C
Show InChI InChI=1S/C26H25N7O2/c1-2-21(34)32-15-6-4-7-19(32)25-31-22(23-24(27)29-14-16-33(23)25)17-9-11-18(12-10-17)26(35)30-20-8-3-5-13-28-20/h2-3,5,8-14,16,19H,1,4,6-7,15H2,(H2,27,29)(H,28,30,35)/t19-/m0/s1
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Merck Sharp & Dohme B.V.

US Patent


Assay Description
Lyn enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below.Lyn enzyme (M...


US Patent US9758524 (2017)

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


(Homo sapiens (Human))
BDBM340156
PNG
((S)-4-(8-amino-3-(1-but-2- ynoylpyrrolidin-2-yl)im...)
Show SMILES CCCc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCN3C(=O)C#CC)n3ccnc(N)c23)c1
Show InChI InChI=1S/C29H29N7O2/c1-3-6-19-13-14-31-23(18-19)33-29(38)21-11-9-20(10-12-21)25-26-27(30)32-15-17-36(26)28(34-25)22-8-5-16-35(22)24(37)7-4-2/h9-15,17-18,22H,3,5-6,8,16H2,1-2H3,(H2,30,32)(H,31,33,38)/t22-/m0/s1
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Merck Sharp & Dohme B.V.

US Patent


Assay Description
Lyn enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below.Lyn enzyme (M...


US Patent US9758524 (2017)

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


(Homo sapiens (Human))
BDBM340095
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)Nc2nccs2)c2c(N)nccn12
Show InChI InChI=1S/C24H21N7O2S/c1-2-4-18(32)30-12-3-5-17(30)22-28-19(20-21(25)26-10-13-31(20)22)15-6-8-16(9-7-15)23(33)29-24-27-11-14-34-24/h6-11,13-14,17H,3,5,12H2,1H3,(H2,25,26)(H,27,29,33)/t17-/m0/s1
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Merck Sharp & Dohme B.V.

US Patent


Assay Description
Lyn enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below.Lyn enzyme (M...


US Patent US9758524 (2017)

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


(Homo sapiens (Human))
BDBM340163
PNG
((S,E)-4-(8-amino-3-(1-(4- (dimethylamino)but-2- en...)
Show SMILES CC(C)c1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCN3C(=O)\C=C\CN(C)C)n3ccnc(N)c23)c1
Show InChI InChI=1S/C31H36N8O2/c1-20(2)23-13-14-33-25(19-23)35-31(41)22-11-9-21(10-12-22)27-28-29(32)34-15-18-39(28)30(36-27)24-7-5-17-38(24)26(40)8-6-16-37(3)4/h6,8-15,18-20,24H,5,7,16-17H2,1-4H3,(H2,32,34)(H,33,35,41)/b8-6+/t24-/m0/s1
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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 activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below.Lyn enzyme (M...


US Patent US9758524 (2017)

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


(Homo sapiens (Human))
BDBM340164
PNG
(4-(8-amino-3-((S)-1- (vinylsulfonyl)piperidin-2- y...)
Show SMILES Cc1cc(ccc1-c1nc([C@@H]2CCCCN2S(=O)(=O)C=C)n2ccnc(N)c12)C(=O)Nc1ccccn1
Show InChI InChI=1S/C26H27N7O3S/c1-3-37(35,36)33-14-7-5-8-20(33)25-31-22(23-24(27)29-13-15-32(23)25)19-11-10-18(16-17(19)2)26(34)30-21-9-4-6-12-28-21/h3-4,6,9-13,15-16,20H,1,5,7-8,14H2,2H3,(H2,27,29)(H,28,30,34)/t20-/m0/s1
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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 activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below.Lyn enzyme (M...


US Patent US9758524 (2017)

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


(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=1S/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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n/an/an/an/a>1.00E+3n/an/an/an/a



Merck Sharp & Dohme B.V.

US Patent


Assay Description
Lyn enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below.Lyn enzyme (M...


US Patent US9758524 (2017)

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


(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=1S/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-/m0/s1
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Merck Sharp & Dohme B.V.

US Patent


Assay Description
Lyn enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below.Lyn enzyme (M...


US Patent US9758524 (2017)

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=1S/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-/m0/s1
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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 activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below.Lyn enzyme (M...


US Patent US9758524 (2017)

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


(Homo sapiens (Human))
BDBM340073
PNG
(4-(8-amino-3-((S)-1-((E)-4- methoxybut-2-enoyl)pyr...)
Show SMILES CCCc1ccnc(NC(=O)c2ccc(-c3nc([C@@H]4CCCN4C(=O)\C=C\COC)n4ccnc(N)c34)c(C)c2)c1
Show InChI InChI=1S/C31H35N7O3/c1-4-7-21-12-13-33-25(19-21)35-31(40)22-10-11-23(20(2)18-22)27-28-29(32)34-14-16-38(28)30(36-27)24-8-5-15-37(24)26(39)9-6-17-41-3/h6,9-14,16,18-19,24H,4-5,7-8,15,17H2,1-3H3,(H2,32,34)(H,33,35,40)/b9-6+/t24-/m0/s1
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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 US9758524 (2017)

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


(Homo sapiens (Human))
BDBM340082
PNG
(US9758524, Example 5)
Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)[C@@H]1CCCN1C(=O)c1ccnc(Cl)n1
Show InChI InChI=1S/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-/m0/s1
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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 US9758524 (2017)

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


(Homo sapiens (Human))
BDBM340092
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(C)ccn2)c2c(N)nccn12
Show InChI InChI=1S/C28H29N7O3/c1-18-11-12-30-22(17-18)32-28(37)20-9-7-19(8-10-20)24-25-26(29)31-13-15-35(25)27(33-24)21-5-3-14-34(21)23(36)6-4-16-38-2/h4,6-13,15,17,21H,3,5,14,16H2,1-2H3,(H2,29,31)(H,30,32,37)/b6-4+/t21-/m0/s1
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n/an/an/an/a 505n/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 US9758524 (2017)

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


(Homo sapiens (Human))
BDBM340106
PNG
((E)-4-(8-amino-3-((4-methoxybut-2- enamido)methyl)...)
Show SMILES COC\C=C\C(=O)NCc1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12
Show InChI InChI=1S/C24H23N7O3/c1-34-14-4-6-20(32)28-15-19-30-21(22-23(25)27-12-13-31(19)22)16-7-9-17(10-8-16)24(33)29-18-5-2-3-11-26-18/h2-13H,14-15H2,1H3,(H2,25,27)(H,28,32)(H,26,29,33)/b6-4+
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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 US9758524 (2017)

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


(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=1S/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
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 US9758524 (2017)

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


(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=1S/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-/m0/s1
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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 US9758524 (2017)

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


(Homo sapiens (Human))
BDBM340147
PNG
(US9758524, Example 36)
Show SMILES CCCC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12
Show InChI InChI=1S/C28H27N7O2/c1-2-3-4-10-23(36)34-17-7-8-21(34)27-33-24(25-26(29)31-16-18-35(25)27)19-11-13-20(14-12-19)28(37)32-22-9-5-6-15-30-22/h5-6,9,11-16,18,21H,2-3,7-8,17H2,1H3,(H2,29,31)(H,30,32,37)/t21-/m0/s1
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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 US9758524 (2017)

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


(Homo sapiens (Human))
BDBM340155
PNG
((S)-4-(3-(1-acryloylpiperidin-2-yl)-8- aminoimidaz...)
Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)[C@@H]1CCCCN1C(=O)C=C
Show InChI InChI=1S/C26H25N7O2/c1-2-21(34)32-15-6-4-7-19(32)25-31-22(23-24(27)29-14-16-33(23)25)17-9-11-18(12-10-17)26(35)30-20-8-3-5-13-28-20/h2-3,5,8-14,16,19H,1,4,6-7,15H2,(H2,27,29)(H,28,30,35)/t19-/m0/s1
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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 US9758524 (2017)

More data for this
Ligand-Target Pair
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