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Patent code US9790235

Compile Data Set for Download or QSAR
Found 133 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
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348745
PNG
(US9790235, Number I-1)
Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Nc5cc(F)ccc5[N+]([O-])=O)ccc4c23)C(=O)N1
Show InChI InChI=1S/C21H16FN5O3S/c1-10-9-23-19-18-12-3-7-17(26-14-8-11(22)2-5-15(14)27(29)30)25-13(12)4-6-16(18)31-20(19)21(28)24-10/h2-8,10,23H,9H2,1H3,(H,24,28)(H,25,26)/t10-/m1/s1
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Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348748
PNG
(US9790235, Number I-4)
Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Nc5ccnc(Cl)c5)ccc4c23)C(=O)N1
Show InChI InChI=1S/C20H16ClN5OS/c1-10-9-23-18-17-12-2-5-16(25-11-6-7-22-15(21)8-11)26-13(12)3-4-14(17)28-19(18)20(27)24-10/h2-8,10,23H,9H2,1H3,(H,24,27)(H,22,25,26)/t10-/m1/s1
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Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348767
PNG
(US9790235, Number I-18)
Show SMILES CCOC(=O)c1cnc(Cl)nc1Nc1ccc2c3c4NC[C@@H](C)NC(=O)c4sc3ccc2n1
Show InChI InChI=1S/C22H19ClN6O3S/c1-3-32-21(31)12-9-25-22(23)29-19(12)28-15-7-4-11-13(27-15)5-6-14-16(11)17-18(33-14)20(30)26-10(2)8-24-17/h4-7,9-10,24H,3,8H2,1-2H3,(H,26,30)(H,25,27,28,29)/t10-/m1/s1
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Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348768
PNG
(US9790235, Number I-19)
Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Nc5nc(Cl)ncc5C(=O)NC5CCN(C)CC5)ccc4c23)C(=O)N1
Show InChI InChI=1S/C26H27ClN8O2S/c1-13-11-28-21-20-15-3-6-19(32-17(15)4-5-18(20)38-22(21)25(37)30-13)33-23-16(12-29-26(27)34-23)24(36)31-14-7-9-35(2)10-8-14/h3-6,12-14,28H,7-11H2,1-2H3,(H,30,37)(H,31,36)(H,29,32,33,34)/t13-/m1/s1
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Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348770
PNG
(US9790235, Number I-21)
Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Nc5nc(Cl)ncc5C(=O)NC5CC5)ccc4c23)C(=O)N1
Show InChI InChI=1S/C23H20ClN7O2S/c1-10-8-25-18-17-12-4-7-16(29-14(12)5-6-15(17)34-19(18)22(33)27-10)30-20-13(9-26-23(24)31-20)21(32)28-11-2-3-11/h4-7,9-11,25H,2-3,8H2,1H3,(H,27,33)(H,28,32)(H,26,29,30,31)/t10-/m1/s1
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Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348787
PNG
(US9790235, Number I-38)
Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(ccc4c23)N(C)c2cc(F)ncn2)C(=O)N1
Show InChI InChI=1S/C20H17FN6OS/c1-10-8-22-18-17-11-3-6-15(27(2)16-7-14(21)23-9-24-16)26-12(11)4-5-13(17)29-19(18)20(28)25-10/h3-7,9-10,22H,8H2,1-2H3,(H,25,28)/t10-/m1/s1
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Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348789
PNG
(US9790235, Number I-40)
Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Nc5cc(F)nc(O[C@H]6CCOC6)n5)ccc4c23)C(=O)N1
Show InChI InChI=1S/C23H21FN6O3S/c1-11-9-25-20-19-13-2-5-17(27-14(13)3-4-15(19)34-21(20)22(31)26-11)29-18-8-16(24)28-23(30-18)33-12-6-7-32-10-12/h2-5,8,11-12,25H,6-7,9-10H2,1H3,(H,26,31)(H,27,28,29,30)/t11-,12+/m1/s1
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Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348794
PNG
(US9790235, Number I-45)
Show SMILES COCCOc1cc(F)nc(Nc2ccc3c4c5NC[C@@H](C)NC(=O)c5sc4ccc3n2)n1
Show InChI InChI=1S/C22H21FN6O3S/c1-11-10-24-19-18-12-3-6-16(26-13(12)4-5-14(18)33-20(19)21(30)25-11)28-22-27-15(23)9-17(29-22)32-8-7-31-2/h3-6,9,11,24H,7-8,10H2,1-2H3,(H,25,30)(H,26,27,28,29)/t11-/m1/s1
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Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348807
PNG
(US9790235, Number I-58)
Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Oc5cc(Cl)nc(C)n5)ccc4c23)C(=O)N1
Show InChI InChI=1S/C20H16ClN5O2S/c1-9-8-22-18-17-11-3-6-15(28-16-7-14(21)24-10(2)25-16)26-12(11)4-5-13(17)29-19(18)20(27)23-9/h3-7,9,22H,8H2,1-2H3,(H,23,27)/t9-/m1/s1
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Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348820
PNG
(US9790235, Number I-71)
Show SMILES COC(=O)c1nc(Cl)cc(Oc2ccc3c4c5NC[C@@H](C)NC(=O)c5sc4ccc3n2)n1
Show InChI InChI=1S/C21H16ClN5O4S/c1-9-8-23-17-16-10-3-6-14(31-15-7-13(22)26-19(27-15)21(29)30-2)25-11(10)4-5-12(16)32-18(17)20(28)24-9/h3-7,9,23H,8H2,1-2H3,(H,24,28)/t9-/m1/s1
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Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348823
PNG
(US9790235, Number I-74)
Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Nc5cc(F)nc(CN6CCCCC6)n5)ccc4c23)C(=O)N1
Show InChI InChI=1S/C25H26FN7OS/c1-14-12-27-23-22-15-5-8-19(29-16(15)6-7-17(22)35-24(23)25(34)28-14)31-20-11-18(26)30-21(32-20)13-33-9-3-2-4-10-33/h5-8,11,14,27H,2-4,9-10,12-13H2,1H3,(H,28,34)(H,29,30,31,32)/t14-/m1/s1
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Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348858
PNG
(US9790235, Number I-111)
Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Oc5nc(Cl)ncc5COCCC#N)ccc4c23)C(=O)N1
Show InChI InChI=1S/C23H19ClN6O3S/c1-12-9-26-19-18-14-3-6-17(29-15(14)4-5-16(18)34-20(19)21(31)28-12)33-22-13(10-27-23(24)30-22)11-32-8-2-7-25/h3-6,10,12,26H,2,8-9,11H2,1H3,(H,28,31)/t12-/m1/s1
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Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348776
PNG
(US9790235, Number I-27)
Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Nc5cc(F)ncc5C#N)ccc4c23)C(=O)N1
Show InChI InChI=1S/C21H15FN6OS/c1-10-8-25-19-18-12-2-5-17(28-14-6-16(22)24-9-11(14)7-23)27-13(12)3-4-15(18)30-20(19)21(29)26-10/h2-6,9-10,25H,8H2,1H3,(H,26,29)(H,24,27,28)/t10-/m1/s1
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Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348788
PNG
(US9790235, Number I-39)
Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Nc5cc(F)nc(OCC6(C)COC6)n5)ccc4c23)C(=O)N1
Show InChI InChI=1S/C24H23FN6O3S/c1-12-8-26-20-19-13-3-6-17(28-14(13)4-5-15(19)35-21(20)22(32)27-12)30-18-7-16(25)29-23(31-18)34-11-24(2)9-33-10-24/h3-7,12,26H,8-11H2,1-2H3,(H,27,32)(H,28,29,30,31)/t12-/m1/s1
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Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348803
PNG
(US9790235, Number I-54)
Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Sc5cc(F)ncn5)ccc4c23)C(=O)N1
Show InChI InChI=1S/C19H14FN5OS2/c1-9-7-21-17-16-10-2-5-14(28-15-6-13(20)22-8-23-15)25-11(10)3-4-12(16)27-18(17)19(26)24-9/h2-6,8-9,21H,7H2,1H3,(H,24,26)/t9-/m1/s1
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Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348805
PNG
(US9790235, Number I-56)
Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Oc5cc(Cl)ncn5)ccc4c23)C(=O)N1
Show InChI InChI=1S/C19H14ClN5O2S/c1-9-7-21-17-16-10-2-5-14(27-15-6-13(20)22-8-23-15)25-11(10)3-4-12(16)28-18(17)19(26)24-9/h2-6,8-9,21H,7H2,1H3,(H,24,26)/t9-/m1/s1
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Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348806
PNG
(US9790235, Number I-57)
Show SMILES COCc1nc(Cl)cc(Oc2ccc3c4c5NC[C@@H](C)NC(=O)c5sc4ccc3n2)n1
Show InChI InChI=1S/C21H18ClN5O3S/c1-10-8-23-19-18-11-3-6-16(30-17-7-14(22)26-15(27-17)9-29-2)25-12(11)4-5-13(18)31-20(19)21(28)24-10/h3-7,10,23H,8-9H2,1-2H3,(H,24,28)/t10-/m1/s1
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Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348811
PNG
(US9790235, Number I-62)
Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Oc5nc(Cl)nc(n5)N5CCCC5)ccc4c23)C(=O)N1
Show InChI InChI=1S/C22H20ClN7O2S/c1-11-10-24-17-16-12-4-7-15(26-13(12)5-6-14(16)33-18(17)19(31)25-11)32-22-28-20(23)27-21(29-22)30-8-2-3-9-30/h4-7,11,24H,2-3,8-10H2,1H3,(H,25,31)/t11-/m1/s1
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Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348824
PNG
(US9790235, Number I-75)
Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Oc5nc(Cl)nc(n5)N(C)C)ccc4c23)C(=O)N1
Show InChI InChI=1S/C20H18ClN7O2S/c1-9-8-22-15-14-10-4-7-13(30-20-26-18(21)25-19(27-20)28(2)3)24-11(10)5-6-12(14)31-16(15)17(29)23-9/h4-7,9,22H,8H2,1-3H3,(H,23,29)/t9-/m1/s1
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Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348826
PNG
(US9790235, Number I-79)
Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Oc5cnnc(Cl)c5)ccc4c23)C(=O)N1
Show InChI InChI=1S/C19H14ClN5O2S/c1-9-7-21-17-16-11-2-5-15(27-10-6-14(20)25-22-8-10)24-12(11)3-4-13(16)28-18(17)19(26)23-9/h2-6,8-9,21H,7H2,1H3,(H,23,26)/t9-/m1/s1
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Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348827
PNG
(US9790235, Number I-80)
Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Oc5nc(Cl)ncc5CN(C)C(C)(C)C)ccc4c23)C(=O)N1
Show InChI InChI=1S/C25H27ClN6O2S/c1-13-10-27-20-19-15-6-9-18(30-16(15)7-8-17(19)35-21(20)22(33)29-13)34-23-14(11-28-24(26)31-23)12-32(5)25(2,3)4/h6-9,11,13,27H,10,12H2,1-5H3,(H,29,33)/t13-/m1/s1
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Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348838
PNG
(US9790235, Number I-91)
Show SMILES CC(C)N(C)Cc1cnc(Cl)nc1Oc1ccc2c3c4NC[C@@H](C)NC(=O)c4sc3ccc2n1
Show InChI InChI=1S/C24H25ClN6O2S/c1-12(2)31(4)11-14-10-27-24(25)30-23(14)33-18-8-5-15-16(29-18)6-7-17-19(15)20-21(34-17)22(32)28-13(3)9-26-20/h5-8,10,12-13,26H,9,11H2,1-4H3,(H,28,32)/t13-/m1/s1
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Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348863
PNG
(US9790235, Number I-116)
Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Oc5nc(Cl)ncc5Br)ccc4c23)C(=O)N1
Show InChI InChI=1S/C19H13BrClN5O2S/c1-8-6-22-15-14-9-2-5-13(28-18-10(20)7-23-19(21)26-18)25-11(9)3-4-12(14)29-16(15)17(27)24-8/h2-5,7-8,22H,6H2,1H3,(H,24,27)/t8-/m1/s1
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Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348840
PNG
(US9790235, Number I-132 | US9790235, Number I-93)
Show SMILES COC1CCN(Cc2cnc(Cl)nc2Oc2ccc3c4c5NC[C@@H](C)NC(=O)c5sc4ccc3n2)CC1
Show InChI InChI=1S/C26H27ClN6O3S/c1-14-11-28-22-21-17-3-6-20(31-18(17)4-5-19(21)37-23(22)24(34)30-14)36-25-15(12-29-26(27)32-25)13-33-9-7-16(35-2)8-10-33/h3-6,12,14,16,28H,7-11,13H2,1-2H3,(H,30,34)/t14-/m1/s1
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Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348747
PNG
(US9790235, Number I-3)
Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Nc5ccnc(F)c5)ccc4c23)C(=O)N1
Show InChI InChI=1S/C20H16FN5OS/c1-10-9-23-18-17-12-2-5-16(25-11-6-7-22-15(21)8-11)26-13(12)3-4-14(17)28-19(18)20(27)24-10/h2-8,10,23H,9H2,1H3,(H,24,27)(H,22,25,26)/t10-/m1/s1
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Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348750
PNG
(US9790235, Number I-5)
Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Nc5ccnc(Cl)n5)ccc4c23)C(=O)N1
Show InChI InChI=1S/C19H15ClN6OS/c1-9-8-22-16-15-10-2-5-13(25-14-6-7-21-19(20)26-14)24-11(10)3-4-12(15)28-17(16)18(27)23-9/h2-7,9,22H,8H2,1H3,(H,23,27)(H,21,24,25,26)/t9-/m1/s1
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Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348759
PNG
(US9790235, Number I-11)
Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Nc5cc(F)ncn5)ccc4c23)C(=O)N1
Show InChI InChI=1S/C19H15FN6OS/c1-9-7-21-17-16-10-2-5-14(26-15-6-13(20)22-8-23-15)25-11(10)3-4-12(16)28-18(17)19(27)24-9/h2-6,8-9,21H,7H2,1H3,(H,24,27)(H,22,23,25,26)/t9-/m1/s1
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Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348762
PNG
(US9790235, Number I-14)
Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Nc5ccnc(n5)S(C)(=O)=O)ccc4c23)C(=O)N1
Show InChI InChI=1S/C20H18N6O3S2/c1-10-9-22-17-16-11-3-6-14(25-15-7-8-21-20(26-15)31(2,28)29)24-12(11)4-5-13(16)30-18(17)19(27)23-10/h3-8,10,22H,9H2,1-2H3,(H,23,27)(H,21,24,25,26)/t10-/m1/s1
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Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348772
PNG
(US9790235, Number I-23)
Show SMILES CCOC(=O)c1cnc(Nc2ccc3c4c5NC[C@@H](C)NC(=O)c5sc4ccc3n2)nc1Cl
Show InChI InChI=1S/C22H19ClN6O3S/c1-3-32-21(31)12-9-25-22(29-19(12)23)28-15-7-4-11-13(27-15)5-6-14-16(11)17-18(33-14)20(30)26-10(2)8-24-17/h4-7,9-10,24H,3,8H2,1-2H3,(H,26,30)(H,25,27,28,29)/t10-/m1/s1
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Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348779
PNG
(US9790235, Number I-30)
Show SMILES NC(=O)c1cnc(Cl)nc1Nc1ccc2c3c4NC[C@@H](CO)NC(=O)c4sc3ccc2n1
Show InChI InChI=1S/C20H16ClN7O3S/c21-20-24-6-10(17(22)30)18(28-20)27-13-4-1-9-11(26-13)2-3-12-14(9)15-16(32-12)19(31)25-8(7-29)5-23-15/h1-4,6,8,23,29H,5,7H2,(H2,22,30)(H,25,31)(H,24,26,27,28)/t8-/m0/s1
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Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348790
PNG
(US9790235, Number I-41)
Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Nc5cc(F)nc(O[C@@H]6CCOC6)n5)ccc4c23)C(=O)N1
Show InChI InChI=1S/C23H21FN6O3S/c1-11-9-25-20-19-13-2-5-17(27-14(13)3-4-15(19)34-21(20)22(31)26-11)29-18-8-16(24)28-23(30-18)33-12-6-7-32-10-12/h2-5,8,11-12,25H,6-7,9-10H2,1H3,(H,26,31)(H,27,28,29,30)/t11-,12-/m1/s1
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Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348810
PNG
(US9790235, Number I-61)
Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Nc5nc(Cl)cc(OCCN6CCN(C)CC6)n5)ccc4c23)C(=O)N1
Show InChI InChI=1S/C26H29ClN8O2S/c1-15-14-28-23-22-16-3-6-20(30-17(16)4-5-18(22)38-24(23)25(36)29-15)32-26-31-19(27)13-21(33-26)37-12-11-35-9-7-34(2)8-10-35/h3-6,13,15,28H,7-12,14H2,1-2H3,(H,29,36)(H,30,31,32,33)/t15-/m1/s1
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Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348821
PNG
(US9790235, Number I-72)
Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Sc5ccnc(Cl)n5)ccc4c23)C(=O)N1
Show InChI InChI=1S/C19H14ClN5OS2/c1-9-8-22-16-15-10-2-5-13(28-14-6-7-21-19(20)25-14)24-11(10)3-4-12(15)27-17(16)18(26)23-9/h2-7,9,22H,8H2,1H3,(H,23,26)/t9-/m1/s1
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Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348848
PNG
(US9790235, Number I-101)
Show SMILES C[C@H]1CCCN1Cc1cnc(Cl)nc1Oc1ccc2c3c4NC[C@@H](C)NC(=O)c4sc3ccc2n1
Show InChI InChI=1S/C25H25ClN6O2S/c1-13-10-27-21-20-16-5-8-19(30-17(16)6-7-18(20)35-22(21)23(33)29-13)34-24-15(11-28-25(26)31-24)12-32-9-3-4-14(32)2/h5-8,11,13-14,27H,3-4,9-10,12H2,1-2H3,(H,29,33)/t13-,14+/m1/s1
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Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348864
PNG
(US9790235, Number I-117)
Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Oc5cc(CNC(C)(C)C)nc(Cl)n5)ccc4c23)C(=O)N1
Show InChI InChI=1S/C24H25ClN6O2S/c1-12-10-26-20-19-14-5-8-17(30-15(14)6-7-16(19)34-21(20)22(32)28-12)33-18-9-13(29-23(25)31-18)11-27-24(2,3)4/h5-9,12,26-27H,10-11H2,1-4H3,(H,28,32)/t12-/m1/s1
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Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348873
PNG
(US9790235, Number I-126)
Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Oc5nc(Cl)nc6CCN(C)Cc56)ccc4c23)C(=O)N1
Show InChI InChI=1S/C23H21ClN6O2S/c1-11-9-25-19-18-12-3-6-17(27-14(12)4-5-16(18)33-20(19)21(31)26-11)32-22-13-10-30(2)8-7-15(13)28-23(24)29-22/h3-6,11,25H,7-10H2,1-2H3,(H,26,31)/t11-/m1/s1
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Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348766
PNG
(US9790235, Number I-17)
Show SMILES OC[C@@H]1CNc2c(sc3ccc4nc(Nc5cc(F)ncn5)ccc4c23)C(=O)N1
Show InChI InChI=1S/C19H15FN6O2S/c20-13-5-15(23-8-22-13)26-14-4-1-10-11(25-14)2-3-12-16(10)17-18(29-12)19(28)24-9(7-27)6-21-17/h1-5,8-9,21,27H,6-7H2,(H,24,28)(H,22,23,25,26)/t9-/m0/s1
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Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348781
PNG
(US9790235, Number I-32)
Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Nc5cc(F)nc(OCCN(C)C)n5)ccc4c23)C(=O)N1
Show InChI InChI=1S/C23H24FN7O2S/c1-12-11-25-20-19-13-4-7-17(27-14(13)5-6-15(19)34-21(20)22(32)26-12)29-18-10-16(24)28-23(30-18)33-9-8-31(2)3/h4-7,10,12,25H,8-9,11H2,1-3H3,(H,26,32)(H,27,28,29,30)/t12-/m1/s1
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Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348809
PNG
(US9790235, Number I-60)
Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Nc5cc(Cl)nc(O[C@@H]6CCN(C)C6)n5)ccc4c23)C(=O)N1
Show InChI InChI=1S/C24H24ClN7O2S/c1-12-10-26-21-20-14-3-6-18(28-15(14)4-5-16(20)35-22(21)23(33)27-12)30-19-9-17(25)29-24(31-19)34-13-7-8-32(2)11-13/h3-6,9,12-13,26H,7-8,10-11H2,1-2H3,(H,27,33)(H,28,29,30,31)/t12-,13-/m1/s1
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Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348813
PNG
(US9790235, Number I-64)
Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Oc5nc(Cl)nc(n5)N5CCCCC5)ccc4c23)C(=O)N1
Show InChI InChI=1S/C23H22ClN7O2S/c1-12-11-25-18-17-13-5-8-16(27-14(13)6-7-15(17)34-19(18)20(32)26-12)33-23-29-21(24)28-22(30-23)31-9-3-2-4-10-31/h5-8,12,25H,2-4,9-11H2,1H3,(H,26,32)/t12-/m1/s1
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n/an/a<100n/an/an/an/an/an/a



Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348849
PNG
(US9790235, Number I-102)
Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Oc5nc(Cl)ncc5CNC(C)(C)C)ccc4c23)C(=O)N1
Show InChI InChI=1S/C24H25ClN6O2S/c1-12-9-26-19-18-14-5-8-17(30-15(14)6-7-16(18)34-20(19)21(32)29-12)33-22-13(10-27-23(25)31-22)11-28-24(2,3)4/h5-8,10,12,26,28H,9,11H2,1-4H3,(H,29,32)/t12-/m1/s1
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n/an/a<100n/an/an/an/an/an/a



Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348850
PNG
(US9790235, Number I-103)
Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Oc5nc(Cl)ncc5COC5(C)COC5)ccc4c23)C(=O)N1
Show InChI InChI=1S/C24H22ClN5O4S/c1-12-7-26-19-18-14-3-6-17(29-15(14)4-5-16(18)35-20(19)21(31)28-12)34-22-13(8-27-23(25)30-22)9-33-24(2)10-32-11-24/h3-6,8,12,26H,7,9-11H2,1-2H3,(H,28,31)/t12-/m1/s1
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n/an/a<100n/an/an/an/an/an/a



Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348753
PNG
(US9790235, Number I-7)
Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Nc5cc(Cl)ncn5)ccc4c23)C(=O)N1
Show InChI InChI=1S/C19H15ClN6OS/c1-9-7-21-17-16-10-2-5-14(26-15-6-13(20)22-8-23-15)25-11(10)3-4-12(16)28-18(17)19(27)24-9/h2-6,8-9,21H,7H2,1H3,(H,24,27)(H,22,23,25,26)/t9-/m1/s1
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Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348754
PNG
(US9790235, Number I-8)
Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Nc5ccnc(F)n5)ccc4c23)C(=O)N1
Show InChI InChI=1S/C19H15FN6OS/c1-9-8-22-16-15-10-2-5-13(25-14-6-7-21-19(20)26-14)24-11(10)3-4-12(15)28-17(16)18(27)23-9/h2-7,9,22H,8H2,1H3,(H,23,27)(H,21,24,25,26)/t9-/m1/s1
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n/an/a<100n/an/an/an/an/an/a



Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348763
PNG
(US9790235, Number I-15)
Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Nc5cc(Cl)ncc5C(N)=O)ccc4c23)C(=O)N1
Show InChI InChI=1S/C21H17ClN6O2S/c1-9-7-25-18-17-10-2-5-16(28-13-6-15(22)24-8-11(13)20(23)29)27-12(10)3-4-14(17)31-19(18)21(30)26-9/h2-6,8-9,25H,7H2,1H3,(H2,23,29)(H,26,30)(H,24,27,28)/t9-/m1/s1
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n/an/a<100n/an/an/an/an/an/a



Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348769
PNG
(US9790235, Number I-20)
Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Nc5nc(Cl)ncc5C(=O)NC5COC5)ccc4c23)C(=O)N1
Show InChI InChI=1S/C23H20ClN7O3S/c1-10-6-25-18-17-12-2-5-16(29-14(12)3-4-15(17)35-19(18)22(33)27-10)30-20-13(7-26-23(24)31-20)21(32)28-11-8-34-9-11/h2-5,7,10-11,25H,6,8-9H2,1H3,(H,27,33)(H,28,32)(H,26,29,30,31)/t10-/m1/s1
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Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348775
PNG
(US9790235, Number I-26)
Show SMILES NC[C@@H]1CNc2c(sc3ccc4nc(Nc5cc(F)ncn5)ccc4c23)C(=O)N1
Show InChI InChI=1S/C19H16FN7OS/c20-13-5-15(24-8-23-13)27-14-4-1-10-11(26-14)2-3-12-16(10)17-18(29-12)19(28)25-9(6-21)7-22-17/h1-5,8-9,22H,6-7,21H2,(H,25,28)(H,23,24,26,27)/t9-/m1/s1
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Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348778
PNG
(US9790235, Number I-29)
Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Nc5cc(F)ncc5C(N)=O)ccc4c23)C(=O)N1
Show InChI InChI=1S/C21H17FN6O2S/c1-9-7-25-18-17-10-2-5-16(28-13-6-15(22)24-8-11(13)20(23)29)27-12(10)3-4-14(17)31-19(18)21(30)26-9/h2-6,8-9,25H,7H2,1H3,(H2,23,29)(H,26,30)(H,24,27,28)/t9-/m1/s1
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Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348793
PNG
(US9790235, Number I-44)
Show SMILES COCCOc1nc(F)cc(Nc2ccc3c4c5NC[C@@H](C)NC(=O)c5sc4ccc3n2)n1
Show InChI InChI=1S/C22H21FN6O3S/c1-11-10-24-19-18-12-3-6-16(26-13(12)4-5-14(18)33-20(19)21(30)25-11)28-17-9-15(23)27-22(29-17)32-8-7-31-2/h3-6,9,11,24H,7-8,10H2,1-2H3,(H,25,30)(H,26,27,28,29)/t11-/m1/s1
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n/an/a<100n/an/an/an/an/an/a



Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348797
PNG
(US9790235, Number I-48)
Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Nc5cc(F)nc(OCCN6CCN(C)CC6)n5)ccc4c23)C(=O)N1
Show InChI InChI=1S/C26H29FN8O2S/c1-15-14-28-23-22-16-3-6-20(30-17(16)4-5-18(22)38-24(23)25(36)29-15)32-21-13-19(27)31-26(33-21)37-12-11-35-9-7-34(2)8-10-35/h3-6,13,15,28H,7-12,14H2,1-2H3,(H,29,36)(H,30,31,32,33)/t15-/m1/s1
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Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348799
PNG
(US9790235, Number I-50)
Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Nc5nc(F)cc(O[C@H]6CCOC6)n5)ccc4c23)C(=O)N1
Show InChI InChI=1S/C23H21FN6O3S/c1-11-9-25-20-19-13-2-5-17(27-14(13)3-4-15(19)34-21(20)22(31)26-11)29-23-28-16(24)8-18(30-23)33-12-6-7-32-10-12/h2-5,8,11-12,25H,6-7,9-10H2,1H3,(H,26,31)(H,27,28,29,30)/t11-,12+/m1/s1
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Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348802
PNG
(US9790235, Number I-53)
Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Oc5ccnc(Cl)n5)ccc4c23)C(=O)N1
Show InChI InChI=1S/C19H14ClN5O2S/c1-9-8-22-16-15-10-2-5-13(27-14-6-7-21-19(20)25-14)24-11(10)3-4-12(15)28-17(16)18(26)23-9/h2-7,9,22H,8H2,1H3,(H,23,26)/t9-/m1/s1
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n/an/a<100n/an/an/an/an/an/a



Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348814
PNG
(US9790235, Number I-65)
Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Oc5cc(F)nc(C)n5)ccc4c23)C(=O)N1
Show InChI InChI=1S/C20H16FN5O2S/c1-9-8-22-18-17-11-3-6-15(28-16-7-14(21)24-10(2)25-16)26-12(11)4-5-13(17)29-19(18)20(27)23-9/h3-7,9,22H,8H2,1-2H3,(H,23,27)/t9-/m1/s1
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Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348817
PNG
(US9790235, Number I-68)
Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Oc5cc(Cl)nc(CO)n5)ccc4c23)C(=O)N1
Show InChI InChI=1S/C20H16ClN5O3S/c1-9-7-22-18-17-10-2-5-15(29-16-6-13(21)25-14(8-27)26-16)24-11(10)3-4-12(17)30-19(18)20(28)23-9/h2-6,9,22,27H,7-8H2,1H3,(H,23,28)/t9-/m1/s1
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Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348818
PNG
(US9790235, Number I-69)
Show SMILES COCCOc1cc(Cl)nc(Nc2ccc3c4c5NC[C@@H](C)NC(=O)c5sc4ccc3n2)n1
Show InChI InChI=1S/C22H21ClN6O3S/c1-11-10-24-19-18-12-3-6-16(26-13(12)4-5-14(18)33-20(19)21(30)25-11)28-22-27-15(23)9-17(29-22)32-8-7-31-2/h3-6,9,11,24H,7-8,10H2,1-2H3,(H,25,30)(H,26,27,28,29)/t11-/m1/s1
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Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348822
PNG
(US9790235, Number I-73)
Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Nc5cc(F)nc(CN6CCN(C)CC6)n5)ccc4c23)C(=O)N1
Show InChI InChI=1S/C25H27FN8OS/c1-14-12-27-23-22-15-3-6-19(29-16(15)4-5-17(22)36-24(23)25(35)28-14)31-20-11-18(26)30-21(32-20)13-34-9-7-33(2)8-10-34/h3-6,11,14,27H,7-10,12-13H2,1-2H3,(H,28,35)(H,29,30,31,32)/t14-/m1/s1
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Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348870
PNG
(US9790235, Number I-123)
Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Oc5nc(Cl)ncc5-c5cccnc5)ccc4c23)C(=O)N1
Show InChI InChI=1S/C24H17ClN6O2S/c1-12-9-27-20-19-14-4-7-18(30-16(14)5-6-17(19)34-21(20)22(32)29-12)33-23-15(11-28-24(25)31-23)13-3-2-8-26-10-13/h2-8,10-12,27H,9H2,1H3,(H,29,32)/t12-/m1/s1
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Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348746
PNG
(US9790235, Number I-2)
Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Nc5cc(F)ccc5C#N)ccc4c23)C(=O)N1
Show InChI InChI=1S/C22H16FN5OS/c1-11-10-25-20-19-14-4-7-18(28-16-8-13(23)3-2-12(16)9-24)27-15(14)5-6-17(19)30-21(20)22(29)26-11/h2-8,11,25H,10H2,1H3,(H,26,29)(H,27,28)/t11-/m1/s1
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Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348757
PNG
(US9790235, Number I-10)
Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Nc5nc(Cl)nc(n5)N5CCN(C)CC5)ccc4c23)C(=O)N1
Show InChI InChI=1S/C23H24ClN9OS/c1-12-11-25-18-17-13-3-6-16(27-14(13)4-5-15(17)35-19(18)20(34)26-12)28-22-29-21(24)30-23(31-22)33-9-7-32(2)8-10-33/h3-6,12,25H,7-11H2,1-2H3,(H,26,34)(H,27,28,29,30,31)/t12-/m1/s1
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Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348765
PNG
(US9790235, Number I-16)
Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Nc5nc(Cl)ncc5C#N)ccc4c23)C(=O)N1
Show InChI InChI=1S/C20H14ClN7OS/c1-9-7-23-16-15-11-2-5-14(27-18-10(6-22)8-24-20(21)28-18)26-12(11)3-4-13(15)30-17(16)19(29)25-9/h2-5,8-9,23H,7H2,1H3,(H,25,29)(H,24,26,27,28)/t9-/m1/s1
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Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348791
PNG
(US9790235, Number I-42)
Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Nc5nc(F)cc(OC6COC6)n5)ccc4c23)C(=O)N1
Show InChI InChI=1S/C22H19FN6O3S/c1-10-7-24-19-18-12-2-5-16(26-13(12)3-4-14(18)33-20(19)21(30)25-10)28-22-27-15(23)6-17(29-22)32-11-8-31-9-11/h2-6,10-11,24H,7-9H2,1H3,(H,25,30)(H,26,27,28,29)/t10-/m1/s1
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Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348795
PNG
(US9790235, Number I-46)
Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Nc5nc(F)cc(O[C@@H]6CCOC6)n5)ccc4c23)C(=O)N1
Show InChI InChI=1S/C23H21FN6O3S/c1-11-9-25-20-19-13-2-5-17(27-14(13)3-4-15(19)34-21(20)22(31)26-11)29-23-28-16(24)8-18(30-23)33-12-6-7-32-10-12/h2-5,8,11-12,25H,6-7,9-10H2,1H3,(H,26,31)(H,27,28,29,30)/t11-,12-/m1/s1
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Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348800
PNG
(US9790235, Number I-51)
Show SMILES COCc1nc(Cl)cc(Nc2ccc3c4c5NC[C@@H](C)NC(=O)c5sc4ccc3n2)n1
Show InChI InChI=1S/C21H19ClN6O2S/c1-10-8-23-19-18-11-3-6-15(27-16-7-14(22)26-17(28-16)9-30-2)25-12(11)4-5-13(18)31-20(19)21(29)24-10/h3-7,10,23H,8-9H2,1-2H3,(H,24,29)(H,25,26,27,28)/t10-/m1/s1
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Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348808
PNG
(US9790235, Number I-59)
Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Nc5cc(Cl)nc(OC6CCCN(C)C6)n5)ccc4c23)C(=O)N1
Show InChI InChI=1S/C25H26ClN7O2S/c1-13-11-27-22-21-15-5-8-19(29-16(15)6-7-17(21)36-23(22)24(34)28-13)31-20-10-18(26)30-25(32-20)35-14-4-3-9-33(2)12-14/h5-8,10,13-14,27H,3-4,9,11-12H2,1-2H3,(H,28,34)(H,29,30,31,32)/t13-,14?/m1/s1
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Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348825
PNG
(US9790235, Number I-76)
Show SMILES COc1nc(Cl)nc(Oc2ccc3c4c5NC[C@@H](C)NC(=O)c5sc4ccc3n2)n1
Show InChI InChI=1S/C19H15ClN6O3S/c1-8-7-21-14-13-9-3-6-12(29-19-25-17(20)24-18(26-19)28-2)23-10(9)4-5-11(13)30-15(14)16(27)22-8/h3-6,8,21H,7H2,1-2H3,(H,22,27)/t8-/m1/s1
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Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348833
PNG
(US9790235, Number I-86)
Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Oc5nc(Cl)nc6COCc56)ccc4c23)C(=O)N1
Show InChI InChI=1S/C21H16ClN5O3S/c1-9-6-23-17-16-10-2-5-15(30-20-11-7-29-8-13(11)26-21(22)27-20)25-12(10)3-4-14(16)31-18(17)19(28)24-9/h2-5,9,23H,6-8H2,1H3,(H,24,28)/t9-/m1/s1
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Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348852
PNG
(US9790235, Number I-105)
Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Oc5nc(Cl)nc6CCS(=O)(=O)Cc56)ccc4c23)C(=O)N1
Show InChI InChI=1S/C22H18ClN5O4S2/c1-10-8-24-18-17-11-2-5-16(26-13(11)3-4-15(17)33-19(18)20(29)25-10)32-21-12-9-34(30,31)7-6-14(12)27-22(23)28-21/h2-5,10,24H,6-9H2,1H3,(H,25,29)/t10-/m1/s1
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Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348866
PNG
(US9790235, Number I-119)
Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Oc5nc(F)nc6COCc56)ccc4c23)C(=O)N1
Show InChI InChI=1S/C21H16FN5O3S/c1-9-6-23-17-16-10-2-5-15(30-20-11-7-29-8-13(11)26-21(22)27-20)25-12(10)3-4-14(16)31-18(17)19(28)24-9/h2-5,9,23H,6-8H2,1H3,(H,24,28)/t9-/m1/s1
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Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348755
PNG
(US9790235, Number I-9)
Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Nc5nc(Cl)ncc5C(N)=O)ccc4c23)C(=O)N1
Show InChI InChI=1S/C20H16ClN7O2S/c1-8-6-23-15-14-9-2-5-13(27-18-10(17(22)29)7-24-20(21)28-18)26-11(9)3-4-12(14)31-16(15)19(30)25-8/h2-5,7-8,23H,6H2,1H3,(H2,22,29)(H,25,30)(H,24,26,27,28)/t8-/m1/s1
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Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348771
PNG
(US9790235, Number I-22)
Show SMILES OC[C@@H]1CNc2c(sc3ccc4nc(Nc5cc(Cl)ncn5)ccc4c23)C(=O)N1
Show InChI InChI=1S/C19H15ClN6O2S/c20-13-5-15(23-8-22-13)26-14-4-1-10-11(25-14)2-3-12-16(10)17-18(29-12)19(28)24-9(7-27)6-21-17/h1-5,8-9,21,27H,6-7H2,(H,24,28)(H,22,23,25,26)/t9-/m0/s1
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Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348774
PNG
(US9790235, Number I-25)
Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Nc5cc(Cl)ncc5C#N)ccc4c23)C(=O)N1
Show InChI InChI=1S/C21H15ClN6OS/c1-10-8-25-19-18-12-2-5-17(28-14-6-16(22)24-9-11(14)7-23)27-13(12)3-4-15(18)30-20(19)21(29)26-10/h2-6,9-10,25H,8H2,1H3,(H,26,29)(H,24,27,28)/t10-/m1/s1
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Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348777
PNG
(US9790235, Number I-28)
Show SMILES NC[C@@H]1CNc2c(sc3ccc4nc(Nc5cc(Cl)ncn5)ccc4c23)C(=O)N1
Show InChI InChI=1S/C19H16ClN7OS/c20-13-5-15(24-8-23-13)27-14-4-1-10-11(26-14)2-3-12-16(10)17-18(29-12)19(28)25-9(6-21)7-22-17/h1-5,8-9,22H,6-7,21H2,(H,25,28)(H,23,24,26,27)/t9-/m1/s1
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Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348786
PNG
(US9790235, Number I-37)
Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Nc5cc(F)nc(OC6COC6)n5)ccc4c23)C(=O)N1
Show InChI InChI=1S/C22H19FN6O3S/c1-10-7-24-19-18-12-2-5-16(26-13(12)3-4-14(18)33-20(19)21(30)25-10)28-17-6-15(23)27-22(29-17)32-11-8-31-9-11/h2-6,10-11,24H,7-9H2,1H3,(H,25,30)(H,26,27,28,29)/t10-/m1/s1
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Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348798
PNG
(US9790235, Number I-49)
Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Nc5cc(F)nc(O[C@@H]6CCN(C)C6)n5)ccc4c23)C(=O)N1
Show InChI InChI=1S/C24H24FN7O2S/c1-12-10-26-21-20-14-3-6-18(28-15(14)4-5-16(20)35-22(21)23(33)27-12)30-19-9-17(25)29-24(31-19)34-13-7-8-32(2)11-13/h3-6,9,12-13,26H,7-8,10-11H2,1-2H3,(H,27,33)(H,28,29,30,31)/t12-,13-/m1/s1
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Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348846
PNG
(US9790235, Number I-99)
Show SMILES C[C@@H]1CCCN1Cc1cnc(Cl)nc1Oc1ccc2c3c4NC[C@@H](C)NC(=O)c4sc3ccc2n1
Show InChI InChI=1S/C25H25ClN6O2S/c1-13-10-27-21-20-16-5-8-19(30-17(16)6-7-18(20)35-22(21)23(33)29-13)34-24-15(11-28-25(26)31-24)12-32-9-3-4-14(32)2/h5-8,11,13-14,27H,3-4,9-10,12H2,1-2H3,(H,29,33)/t13-,14-/m1/s1
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Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348869
PNG
(US9790235, Number I-122)
Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Oc5nc(Cl)ncc5C5=CCN(C)CC5)ccc4c23)C(=O)N1
Show InChI InChI=1S/C25H23ClN6O2S/c1-13-11-27-21-20-15-3-6-19(30-17(15)4-5-18(20)35-22(21)23(33)29-13)34-24-16(12-28-25(26)31-24)14-7-9-32(2)10-8-14/h3-7,12-13,27H,8-11H2,1-2H3,(H,29,33)/t13-/m1/s1
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Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348871
PNG
(US9790235, Number I-124)
Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Oc5nc(Cl)ncc5C5=CCOCC5)ccc4c23)C(=O)N1
Show InChI InChI=1S/C24H20ClN5O3S/c1-12-10-26-20-19-14-2-5-18(29-16(14)3-4-17(19)34-21(20)22(31)28-12)33-23-15(11-27-24(25)30-23)13-6-8-32-9-7-13/h2-6,11-12,26H,7-10H2,1H3,(H,28,31)/t12-/m1/s1
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Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348872
PNG
(US9790235, Number I-125)
Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Oc5nc(Cl)nc6CCNCc56)ccc4c23)C(=O)N1
Show InChI InChI=1S/C22H19ClN6O2S/c1-10-8-25-18-17-11-2-5-16(27-13(11)3-4-15(17)32-19(18)20(30)26-10)31-21-12-9-24-7-6-14(12)28-22(23)29-21/h2-5,10,24-25H,6-9H2,1H3,(H,26,30)/t10-/m1/s1
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n/an/a<100n/an/an/an/an/an/a



Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348751
PNG
(US9790235, Number I-6)
Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Nc5cc(F)nc(F)c5)ccc4c23)C(=O)N1
Show InChI InChI=1S/C20H15F2N5OS/c1-9-8-23-18-17-11-2-5-16(25-10-6-14(21)27-15(22)7-10)26-12(11)3-4-13(17)29-19(18)20(28)24-9/h2-7,9,23H,8H2,1H3,(H,24,28)(H,25,26,27)/t9-/m1/s1
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n/an/a<100n/an/an/an/an/an/a



Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348792
PNG
(US9790235, Number I-43)
Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Nc5nc(F)cc(OCC6(C)COC6)n5)ccc4c23)C(=O)N1
Show InChI InChI=1S/C24H23FN6O3S/c1-12-8-26-20-19-13-3-6-17(28-14(13)4-5-15(19)35-21(20)22(32)27-12)30-23-29-16(25)7-18(31-23)34-11-24(2)9-33-10-24/h3-7,12,26H,8-11H2,1-2H3,(H,27,32)(H,28,29,30,31)/t12-/m1/s1
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Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348796
PNG
(US9790235, Number I-47)
Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Nc5cc(F)nc(OC6CCCN(C)C6)n5)ccc4c23)C(=O)N1
Show InChI InChI=1S/C25H26FN7O2S/c1-13-11-27-22-21-15-5-8-19(29-16(15)6-7-17(21)36-23(22)24(34)28-13)31-20-10-18(26)30-25(32-20)35-14-4-3-9-33(2)12-14/h5-8,10,13-14,27H,3-4,9,11-12H2,1-2H3,(H,28,34)(H,29,30,31,32)/t13-,14?/m1/s1
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n/an/a<100n/an/an/an/an/an/a



Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348812
PNG
(US9790235, Number I-63)
Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Oc5nc(Cl)nc(n5)N5CCOCC5)ccc4c23)C(=O)N1
Show InChI InChI=1S/C22H20ClN7O3S/c1-11-10-24-17-16-12-2-5-15(26-13(12)3-4-14(16)34-18(17)19(31)25-11)33-22-28-20(23)27-21(29-22)30-6-8-32-9-7-30/h2-5,11,24H,6-10H2,1H3,(H,25,31)/t11-/m1/s1
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Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348815
PNG
(US9790235, Number I-66)
Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Nc5cc(Cl)nc(OCCN6CCN(C)CC6)n5)ccc4c23)C(=O)N1
Show InChI InChI=1S/C26H29ClN8O2S/c1-15-14-28-23-22-16-3-6-20(30-17(16)4-5-18(22)38-24(23)25(36)29-15)32-21-13-19(27)31-26(33-21)37-12-11-35-9-7-34(2)8-10-35/h3-6,13,15,28H,7-12,14H2,1-2H3,(H,29,36)(H,30,31,32,33)/t15-/m1/s1
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Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348816
PNG
(US9790235, Number I-67)
Show SMILES COCCOc1nc(Cl)cc(Nc2ccc3c4c5NC[C@@H](C)NC(=O)c5sc4ccc3n2)n1
Show InChI InChI=1S/C22H21ClN6O3S/c1-11-10-24-19-18-12-3-6-16(26-13(12)4-5-14(18)33-20(19)21(30)25-11)28-17-9-15(23)27-22(29-17)32-8-7-31-2/h3-6,9,11,24H,7-8,10H2,1-2H3,(H,25,30)(H,26,27,28,29)/t11-/m1/s1
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n/an/a<100n/an/an/an/an/an/a



Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348819
PNG
(US9790235, Number I-70)
Show SMILES COC(=O)c1nc(Cl)cc(Nc2ccc3c4c5NC[C@@H](C)NC(=O)c5sc4ccc3n2)n1
Show InChI InChI=1S/C21H17ClN6O3S/c1-9-8-23-17-16-10-3-6-14(27-15-7-13(22)26-19(28-15)21(30)31-2)25-11(10)4-5-12(16)32-18(17)20(29)24-9/h3-7,9,23H,8H2,1-2H3,(H,24,29)(H,25,26,27,28)/t9-/m1/s1
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Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348828
PNG
(US9790235, Number I-81)
Show SMILES COCCOCc1cnc(Cl)nc1Oc1ccc2c3c4NC[C@@H](C)NC(=O)c4sc3ccc2n1
Show InChI InChI=1S/C23H22ClN5O4S/c1-12-9-25-19-18-14-3-6-17(28-15(14)4-5-16(18)34-20(19)21(30)27-12)33-22-13(10-26-23(24)29-22)11-32-8-7-31-2/h3-6,10,12,25H,7-9,11H2,1-2H3,(H,27,30)/t12-/m1/s1
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Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348859
PNG
(US9790235, Number I-112)
Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Oc5nc(Cl)ncc5CS(C)(=O)=O)ccc4c23)C(=O)N1
Show InChI InChI=1S/C21H18ClN5O4S2/c1-10-7-23-17-16-12-3-6-15(26-13(12)4-5-14(16)32-18(17)19(28)25-10)31-20-11(9-33(2,29)30)8-24-21(22)27-20/h3-6,8,10,23H,7,9H2,1-2H3,(H,25,28)/t10-/m1/s1
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Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348878
PNG
(US9790235, Number I-131)
Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Oc5nc(Cl)ncc5CN5CCC(CC5)OCCF)ccc4c23)C(=O)N1
Show InChI InChI=1S/C27H28ClFN6O3S/c1-15-12-30-23-22-18-2-5-21(33-19(18)3-4-20(22)39-24(23)25(36)32-15)38-26-16(13-31-27(28)34-26)14-35-9-6-17(7-10-35)37-11-8-29/h2-5,13,15,17,30H,6-12,14H2,1H3,(H,32,36)/t15-/m1/s1
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Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348861
PNG
(US9790235, Number I-114)
Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Oc5nc(Cl)ncc5CN5C6CCC5COC6)ccc4c23)C(=O)N1
Show InChI InChI=1S/C26H25ClN6O3S/c1-13-8-28-22-21-17-4-7-20(31-18(17)5-6-19(21)37-23(22)24(34)30-13)36-25-14(9-29-26(27)32-25)10-33-15-2-3-16(33)12-35-11-15/h4-7,9,13,15-16,28H,2-3,8,10-12H2,1H3,(H,30,34)/t13-,15?,16?/m1/s1
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Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348856
PNG
(US9790235, Number I-109)
Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Oc5nc(Cl)nc6CCCCc56)ccc4c23)C(=O)N1
Show InChI InChI=1S/C23H20ClN5O2S/c1-11-10-25-19-18-12-6-9-17(27-15(12)7-8-16(18)32-20(19)21(30)26-11)31-22-13-4-2-3-5-14(13)28-23(24)29-22/h6-9,11,25H,2-5,10H2,1H3,(H,26,30)/t11-/m1/s1
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Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348855
PNG
(US9790235, Number I-108)
Show SMILES CCOCCN(C)Cc1cnc(Cl)nc1Oc1ccc2c3c4NC[C@@H](C)NC(=O)c4sc3ccc2n1
Show InChI InChI=1S/C25H27ClN6O3S/c1-4-34-10-9-32(3)13-15-12-28-25(26)31-24(15)35-19-8-5-16-17(30-19)6-7-18-20(16)21-22(36-18)23(33)29-14(2)11-27-21/h5-8,12,14,27H,4,9-11,13H2,1-3H3,(H,29,33)/t14-/m1/s1
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Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348853
PNG
(US9790235, Number I-106)
Show SMILES CO[C@H]1CCCN(Cc2cnc(Cl)nc2Oc2ccc3c4c5NC[C@@H](C)NC(=O)c5sc4ccc3n2)C1
Show InChI InChI=1S/C26H27ClN6O3S/c1-14-10-28-22-21-17-5-8-20(31-18(17)6-7-19(21)37-23(22)24(34)30-14)36-25-15(11-29-26(27)32-25)12-33-9-3-4-16(13-33)35-2/h5-8,11,14,16,28H,3-4,9-10,12-13H2,1-2H3,(H,30,34)/t14-,16+/m1/s1
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Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348832
PNG
(US9790235, Number I-85)
Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Oc5nc(Cl)ncc5CN5CC6CC(C6)C5)ccc4c23)C(=O)N1
Show InChI InChI=1S/C26H25ClN6O2S/c1-13-8-28-22-21-17-2-5-20(31-18(17)3-4-19(21)36-23(22)24(34)30-13)35-25-16(9-29-26(27)32-25)12-33-10-14-6-15(7-14)11-33/h2-5,9,13-15,28H,6-8,10-12H2,1H3,(H,30,34)/t13-,14?,15?/m1/s1
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Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348801
PNG
(US9790235, Number I-52)
Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Oc5ccnc(F)n5)ccc4c23)C(=O)N1
Show InChI InChI=1S/C19H14FN5O2S/c1-9-8-22-16-15-10-2-5-13(27-14-6-7-21-19(20)25-14)24-11(10)3-4-12(15)28-17(16)18(26)23-9/h2-7,9,22H,8H2,1H3,(H,23,26)/t9-/m1/s1
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Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348876
PNG
(US9790235, Number I-129)
Show SMILES CCOC1CCN(Cc2cnc(Cl)nc2Oc2ccc3c4c5NC[C@@H](C)NC(=O)c5sc4ccc3n2)CC1
Show InChI InChI=1S/C27H29ClN6O3S/c1-3-36-17-8-10-34(11-9-17)14-16-13-30-27(28)33-26(16)37-21-7-4-18-19(32-21)5-6-20-22(18)23-24(38-20)25(35)31-15(2)12-29-23/h4-7,13,15,17,29H,3,8-12,14H2,1-2H3,(H,31,35)/t15-/m1/s1
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Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348874
PNG
(US9790235, Number I-127)
Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Oc5nc(Cl)ncc5CO)ccc4c23)C(=O)N1
Show InChI InChI=1S/C20H16ClN5O3S/c1-9-6-22-16-15-11-2-5-14(29-19-10(8-27)7-23-20(21)26-19)25-12(11)3-4-13(15)30-17(16)18(28)24-9/h2-5,7,9,22,27H,6,8H2,1H3,(H,24,28)/t9-/m1/s1
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Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348868
PNG
(US9790235, Number I-121)
Show SMILES CCOCc1cnc(F)nc1Oc1ccc2c3c4NC[C@@H](C)NC(=O)c4sc3ccc2n1
Show InChI InChI=1S/C22H20FN5O3S/c1-3-30-10-12-9-25-22(23)28-21(12)31-16-7-4-13-14(27-16)5-6-15-17(13)18-19(32-15)20(29)26-11(2)8-24-18/h4-7,9,11,24H,3,8,10H2,1-2H3,(H,26,29)/t11-/m1/s1
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Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348860
PNG
(US9790235, Number I-113)
Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Oc5nc(Cl)ncc5COC(F)F)ccc4c23)C(=O)N1
Show InChI InChI=1S/C21H16ClF2N5O3S/c1-9-6-25-16-15-11-2-5-14(28-12(11)3-4-13(15)33-17(16)18(30)27-9)32-19-10(8-31-21(23)24)7-26-20(22)29-19/h2-5,7,9,21,25H,6,8H2,1H3,(H,27,30)/t9-/m1/s1
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Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348854
PNG
(US9790235, Number I-107)
Show SMILES CO[C@@H]1CCCN(Cc2cnc(Cl)nc2Oc2ccc3c4c5NC[C@@H](C)NC(=O)c5sc4ccc3n2)C1
Show InChI InChI=1S/C26H27ClN6O3S/c1-14-10-28-22-21-17-5-8-20(31-18(17)6-7-19(21)37-23(22)24(34)30-14)36-25-15(11-29-26(27)32-25)12-33-9-3-4-16(13-33)35-2/h5-8,11,14,16,28H,3-4,9-10,12-13H2,1-2H3,(H,30,34)/t14-,16-/m1/s1
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Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348840
PNG
(US9790235, Number I-132 | US9790235, Number I-93)
Show SMILES COC1CCN(Cc2cnc(Cl)nc2Oc2ccc3c4c5NC[C@@H](C)NC(=O)c5sc4ccc3n2)CC1
Show InChI InChI=1S/C26H27ClN6O3S/c1-14-11-28-22-21-17-3-6-20(31-18(17)4-5-19(21)37-23(22)24(34)30-14)36-25-15(12-29-26(27)32-25)13-33-9-7-16(35-2)8-10-33/h3-6,12,14,16,28H,7-11,13H2,1-2H3,(H,30,34)/t14-/m1/s1
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Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348842
PNG
(US9790235, Number I-95)
Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Oc5nc(Cl)ncc5CN5CCCC(C)(C)C5)ccc4c23)C(=O)N1
Show InChI InChI=1S/C27H29ClN6O2S/c1-15-11-29-22-21-17-5-8-20(32-18(17)6-7-19(21)37-23(22)24(35)31-15)36-25-16(12-30-26(28)33-25)13-34-10-4-9-27(2,3)14-34/h5-8,12,15,29H,4,9-11,13-14H2,1-3H3,(H,31,35)/t15-/m1/s1
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Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348847
PNG
(US9790235, Number I-100)
Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Oc5nc(Cl)ncc5COCCF)ccc4c23)C(=O)N1
Show InChI InChI=1S/C22H19ClFN5O3S/c1-11-8-25-18-17-13-2-5-16(28-14(13)3-4-15(17)33-19(18)20(30)27-11)32-21-12(10-31-7-6-24)9-26-22(23)29-21/h2-5,9,11,25H,6-8,10H2,1H3,(H,27,30)/t11-/m1/s1
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Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348804
PNG
(US9790235, Number I-55)
Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Oc5cncc(Cl)n5)ccc4c23)C(=O)N1
Show InChI InChI=1S/C19H14ClN5O2S/c1-9-6-22-17-16-10-2-5-14(27-15-8-21-7-13(20)25-15)24-11(10)3-4-12(16)28-18(17)19(26)23-9/h2-5,7-9,22H,6H2,1H3,(H,23,26)/t9-/m1/s1
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Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348830
PNG
(US9790235, Number I-83)
Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Oc5nc(Cl)ncc5CN5CC6CC6C5)ccc4c23)C(=O)N1
Show InChI InChI=1S/C25H23ClN6O2S/c1-12-7-27-21-20-16-2-5-19(30-17(16)3-4-18(20)35-22(21)23(33)29-12)34-24-15(8-28-25(26)31-24)11-32-9-13-6-14(13)10-32/h2-5,8,12-14,27H,6-7,9-11H2,1H3,(H,29,33)/t12-,13?,14?/m1/s1
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Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348839
PNG
(US9790235, Number I-92)
Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Oc5nc(Cl)ncc5CN(C)C5CCCCC5)ccc4c23)C(=O)N1
Show InChI InChI=1S/C27H29ClN6O2S/c1-15-12-29-23-22-18-8-11-21(32-19(18)9-10-20(22)37-24(23)25(35)31-15)36-26-16(13-30-27(28)33-26)14-34(2)17-6-4-3-5-7-17/h8-11,13,15,17,29H,3-7,12,14H2,1-2H3,(H,31,35)/t15-/m1/s1
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Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348845
PNG
(US9790235, Number I-98)
Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Oc5nc(Cl)ncc5COC5CCOCC5)ccc4c23)C(=O)N1
Show InChI InChI=1S/C25H24ClN5O4S/c1-13-10-27-21-20-16-2-5-19(30-17(16)3-4-18(20)36-22(21)23(32)29-13)35-24-14(11-28-25(26)31-24)12-34-15-6-8-33-9-7-15/h2-5,11,13,15,27H,6-10,12H2,1H3,(H,29,32)/t13-/m1/s1
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Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348837
PNG
(US9790235, Number I-90)
Show SMILES COCCN(C)Cc1cnc(Cl)nc1Oc1ccc2c3c4NC[C@@H](C)NC(=O)c4sc3ccc2n1
Show InChI InChI=1S/C24H25ClN6O3S/c1-13-10-26-20-19-15-4-7-18(29-16(15)5-6-17(19)35-21(20)22(32)28-13)34-23-14(11-27-24(25)30-23)12-31(2)8-9-33-3/h4-7,11,13,26H,8-10,12H2,1-3H3,(H,28,32)/t13-/m1/s1
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Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348829
PNG
(US9790235, Number I-135 | US9790235, Number I-82)
Show SMILES CCOCc1cnc(Cl)nc1Oc1ccc2c3c4NC[C@@H](C)NC(=O)c4sc3ccc2n1
Show InChI InChI=1S/C22H20ClN5O3S/c1-3-30-10-12-9-25-22(23)28-21(12)31-16-7-4-13-14(27-16)5-6-15-17(13)18-19(32-15)20(29)26-11(2)8-24-18/h4-7,9,11,24H,3,8,10H2,1-2H3,(H,26,29)/t11-/m1/s1
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Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348834
PNG
(US9790235, Number I-120 | US9790235, Number I-87)
Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Oc5nc(F)ncc5CN(C)C(C)(C)C)ccc4c23)C(=O)N1
Show InChI InChI=1S/C25H27FN6O2S/c1-13-10-27-20-19-15-6-9-18(30-16(15)7-8-17(19)35-21(20)22(33)29-13)34-23-14(11-28-24(26)31-23)12-32(5)25(2,3)4/h6-9,11,13,27H,10,12H2,1-5H3,(H,29,33)/t13-/m1/s1
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Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348857
PNG
(US9790235, Number I-110)
Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Oc5nc(Cl)ncc5COCC(F)F)ccc4c23)C(=O)N1
Show InChI InChI=1S/C22H18ClF2N5O3S/c1-10-6-26-18-17-12-2-5-16(29-13(12)3-4-14(17)34-19(18)20(31)28-10)33-21-11(7-27-22(23)30-21)8-32-9-15(24)25/h2-5,7,10,15,26H,6,8-9H2,1H3,(H,28,31)/t10-/m1/s1
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Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348831
PNG
(US9790235, Number I-84)
Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Oc5nc(Cl)ncc5CO[C@H]5CCOC5)ccc4c23)C(=O)N1
Show InChI InChI=1S/C24H22ClN5O4S/c1-12-8-26-20-19-15-2-5-18(29-16(15)3-4-17(19)35-21(20)22(31)28-12)34-23-13(9-27-24(25)30-23)10-33-14-6-7-32-11-14/h2-5,9,12,14,26H,6-8,10-11H2,1H3,(H,28,31)/t12-,14+/m1/s1
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Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348829
PNG
(US9790235, Number I-135 | US9790235, Number I-82)
Show SMILES CCOCc1cnc(Cl)nc1Oc1ccc2c3c4NC[C@@H](C)NC(=O)c4sc3ccc2n1
Show InChI InChI=1S/C22H20ClN5O3S/c1-3-30-10-12-9-25-22(23)28-21(12)31-16-7-4-13-14(27-16)5-6-15-17(13)18-19(32-15)20(29)26-11(2)8-24-18/h4-7,9,11,24H,3,8,10H2,1-2H3,(H,26,29)/t11-/m1/s1
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Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348862
PNG
(US9790235, Number I-115)
Show SMILES C[C@H]1CN(Cc2cnc(Cl)nc2Oc2ccc3c4c5NC[C@@H](C)NC(=O)c5sc4ccc3n2)C[C@@H](C)N1
Show InChI InChI=1S/C26H28ClN7O2S/c1-13-8-28-22-21-17-4-7-20(32-18(17)5-6-19(21)37-23(22)24(35)31-13)36-25-16(9-29-26(27)33-25)12-34-10-14(2)30-15(3)11-34/h4-7,9,13-15,28,30H,8,10-12H2,1-3H3,(H,31,35)/t13-,14-,15+/m1/s1
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Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348875
PNG
(US9790235, Number I-128)
Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Oc5nc(Cl)ncc5CN5CCC(O)CC5)ccc4c23)C(=O)N1
Show InChI InChI=1S/C25H25ClN6O3S/c1-13-10-27-21-20-16-2-5-19(30-17(16)3-4-18(20)36-22(21)23(34)29-13)35-24-14(11-28-25(26)31-24)12-32-8-6-15(33)7-9-32/h2-5,11,13,15,27,33H,6-10,12H2,1H3,(H,29,34)/t13-/m1/s1
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Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348880
PNG
(US9790235, Number I-133)
Show SMILES CC(C)OC1CCN(Cc2cnc(Cl)nc2Oc2ccc3c4c5NC[C@@H](C)NC(=O)c5sc4ccc3n2)CC1
Show InChI InChI=1S/C28H31ClN6O3S/c1-15(2)37-18-8-10-35(11-9-18)14-17-13-31-28(29)34-27(17)38-22-7-4-19-20(33-22)5-6-21-23(19)24-25(39-21)26(36)32-16(3)12-30-24/h4-7,13,15-16,18,30H,8-12,14H2,1-3H3,(H,32,36)/t16-/m1/s1
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Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348841
PNG
(US9790235, Number I-94)
Show SMILES CCN1CCN(Cc2cnc(Cl)nc2Oc2ccc3c4c5NC[C@@H](C)NC(=O)c5sc4ccc3n2)CC1
Show InChI InChI=1S/C26H28ClN7O2S/c1-3-33-8-10-34(11-9-33)14-16-13-29-26(27)32-25(16)36-20-7-4-17-18(31-20)5-6-19-21(17)22-23(37-19)24(35)30-15(2)12-28-22/h4-7,13,15,28H,3,8-12,14H2,1-2H3,(H,30,35)/t15-/m1/s1
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Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348843
PNG
(US9790235, Number I-96)
Show SMILES COCc1cnc(Cl)nc1Oc1ccc2c3c4NC[C@@H](C)NC(=O)c4sc3ccc2n1
Show InChI InChI=1S/C21H18ClN5O3S/c1-10-7-23-17-16-12-3-6-15(30-20-11(9-29-2)8-24-21(22)27-20)26-13(12)4-5-14(16)31-18(17)19(28)25-10/h3-6,8,10,23H,7,9H2,1-2H3,(H,25,28)/t10-/m1/s1
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n/an/a 300n/an/an/an/an/an/a



Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348834
PNG
(US9790235, Number I-120 | US9790235, Number I-87)
Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Oc5nc(F)ncc5CN(C)C(C)(C)C)ccc4c23)C(=O)N1
Show InChI InChI=1S/C25H27FN6O2S/c1-13-10-27-20-19-15-6-9-18(30-16(15)7-8-17(19)35-21(20)22(33)29-13)34-23-14(11-28-24(26)31-23)12-32(5)25(2,3)4/h6-9,11,13,27H,10,12H2,1-5H3,(H,29,33)/t13-/m1/s1
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Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348877
PNG
(US9790235, Number I-130)
Show SMILES COCCOC1CCN(Cc2cnc(Cl)nc2Oc2ccc3c4c5NC[C@@H](C)NC(=O)c5sc4ccc3n2)CC1
Show InChI InChI=1S/C28H31ClN6O4S/c1-16-13-30-24-23-19-3-6-22(33-20(19)4-5-21(23)40-25(24)26(36)32-16)39-27-17(14-31-28(29)34-27)15-35-9-7-18(8-10-35)38-12-11-37-2/h3-6,14,16,18,30H,7-13,15H2,1-2H3,(H,32,36)/t16-/m1/s1
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Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348881
PNG
(US9790235, Number I-134)
Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Oc5nc(Cl)ncc5CN5CCC(CC5)OC(C)(C)C)ccc4c23)C(=O)N1
Show InChI InChI=1S/C29H33ClN6O3S/c1-16-13-31-24-23-19-5-8-22(34-20(19)6-7-21(23)40-25(24)26(37)33-16)38-27-17(14-32-28(30)35-27)15-36-11-9-18(10-12-36)39-29(2,3)4/h5-8,14,16,18,31H,9-13,15H2,1-4H3,(H,33,37)/t16-/m1/s1
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Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348784
PNG
(US9790235, Number I-35)
Show SMILES CNC[C@@H]1CNc2c(sc3ccc4nc(Nc5cc(F)ncn5)ccc4c23)C(=O)N1
Show InChI InChI=1S/C20H18FN7OS/c1-22-7-10-8-23-18-17-11-2-5-15(28-16-6-14(21)24-9-25-16)27-12(11)3-4-13(17)30-19(18)20(29)26-10/h2-6,9-10,22-23H,7-8H2,1H3,(H,26,29)(H,24,25,27,28)/t10-/m1/s1
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Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348836
PNG
(US9790235, Number I-89)
Show SMILES COCC1CCCN1Cc1cnc(Cl)nc1Oc1ccc2c3c4NC[C@@H](C)NC(=O)c4sc3ccc2n1
Show InChI InChI=1S/C26H27ClN6O3S/c1-14-10-28-22-21-17-5-8-20(31-18(17)6-7-19(21)37-23(22)24(34)30-14)36-25-15(11-29-26(27)32-25)12-33-9-3-4-16(33)13-35-2/h5-8,11,14,16,28H,3-4,9-10,12-13H2,1-2H3,(H,30,34)/t14-,16?/m1/s1
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Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348865
PNG
(US9790235, Number I-118)
Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Oc5cc(CN(C)C(C)(C)C)nc(Cl)n5)ccc4c23)C(=O)N1
Show InChI InChI=1S/C25H27ClN6O2S/c1-13-11-27-21-20-15-6-9-18(30-16(15)7-8-17(20)35-22(21)23(33)28-13)34-19-10-14(29-24(26)31-19)12-32(5)25(2,3)4/h6-10,13,27H,11-12H2,1-5H3,(H,28,33)/t13-/m1/s1
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Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348844
PNG
(US9790235, Number I-97)
Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Oc5nc(Cl)ncc5COC(C)(C)C)ccc4c23)C(=O)N1
Show InChI InChI=1S/C24H24ClN5O3S/c1-12-9-26-19-18-14-5-8-17(29-15(14)6-7-16(18)34-20(19)21(31)28-12)33-22-13(10-27-23(25)30-22)11-32-24(2,3)4/h5-8,10,12,26H,9,11H2,1-4H3,(H,28,31)/t12-/m1/s1
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Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348773
PNG
(US9790235, Number I-24)
Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Nc5nc(Cl)ncc5C(=O)N5CC[C@H](C5)N(C)C)ccc4c23)C(=O)N1
Show InChI InChI=1S/C26H27ClN8O2S/c1-13-10-28-21-20-15-4-7-19(31-17(15)5-6-18(20)38-22(21)24(36)30-13)32-23-16(11-29-26(27)33-23)25(37)35-9-8-14(12-35)34(2)3/h4-7,11,13-14,28H,8-10,12H2,1-3H3,(H,30,36)(H,29,31,32,33)/t13-,14-/m1/s1
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Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348782
PNG
(US9790235, Number I-33)
Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(ccc4c23)N(CCN(C)C)c2cc(F)ncn2)C(=O)N1
Show InChI InChI=1S/C23H24FN7OS/c1-13-11-25-21-20-14-4-7-18(29-15(14)5-6-16(20)33-22(21)23(32)28-13)31(9-8-30(2)3)19-10-17(24)26-12-27-19/h4-7,10,12-13,25H,8-9,11H2,1-3H3,(H,28,32)/t13-/m1/s1
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Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348760
PNG
(US9790235, Number I-12)
Show SMILES CCOC(=O)c1cnc(SC)nc1Nc1ccc2c3c4NC[C@@H](C)NC(=O)c4sc3ccc2n1
Show InChI InChI=1S/C23H22N6O3S2/c1-4-32-22(31)13-10-25-23(33-3)29-20(13)28-16-8-5-12-14(27-16)6-7-15-17(12)18-19(34-15)21(30)26-11(2)9-24-18/h5-8,10-11,24H,4,9H2,1-3H3,(H,26,30)(H,25,27,28,29)/t11-/m1/s1
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Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348785
PNG
(US9790235, Number I-36)
Show SMILES COCCN(c1ccc2c3c4NC[C@@H](C)NC(=O)c4sc3ccc2n1)c1cc(F)ncn1
Show InChI InChI=1S/C22H21FN6O2S/c1-12-10-24-20-19-13-3-6-17(29(7-8-31-2)18-9-16(23)25-11-26-18)28-14(13)4-5-15(19)32-21(20)22(30)27-12/h3-6,9,11-12,24H,7-8,10H2,1-2H3,(H,27,30)/t12-/m1/s1
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Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348851
PNG
(US9790235, Number I-104)
Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Oc5ncncc5CN(C)C(C)(C)C)ccc4c23)C(=O)N1
Show InChI InChI=1S/C25H28N6O2S/c1-14-10-27-21-20-16-6-9-19(30-17(16)7-8-18(20)34-22(21)23(32)29-14)33-24-15(11-26-13-28-24)12-31(5)25(2,3)4/h6-9,11,13-14,27H,10,12H2,1-5H3,(H,29,32)/t14-/m1/s1
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Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348783
PNG
(US9790235, Number I-34)
Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(ccc4c23)N(C)c2nc(Cl)ncc2C(N)=O)C(=O)N1
Show InChI InChI=1S/C21H18ClN7O2S/c1-9-7-24-16-15-10-3-6-14(29(2)19-11(18(23)30)8-25-21(22)28-19)27-12(10)4-5-13(15)32-17(16)20(31)26-9/h3-6,8-9,24H,7H2,1-2H3,(H2,23,30)(H,26,31)/t9-/m1/s1
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Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348761
PNG
(US9790235, Number I-13)
Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Nc5nccc(Cl)n5)ccc4c23)C(=O)N1
Show InChI InChI=1S/C19H15ClN6OS/c1-9-8-22-16-15-10-2-5-14(26-19-21-7-6-13(20)25-19)24-11(10)3-4-12(15)28-17(16)18(27)23-9/h2-7,9,22H,8H2,1H3,(H,23,27)(H,21,24,25,26)/t9-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348780
PNG
(US9790235, Number I-31)
Show SMILES CN(C)C[C@@H]1CNc2c(sc3ccc4nc(Nc5cc(F)ncn5)ccc4c23)C(=O)N1
Show InChI InChI=1S/C21H20FN7OS/c1-29(2)9-11-8-23-19-18-12-3-6-16(28-17-7-15(22)24-10-25-17)27-13(12)4-5-14(18)31-20(19)21(30)26-11/h3-7,10-11,23H,8-9H2,1-2H3,(H,26,30)(H,24,25,27,28)/t11-/m0/s1
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Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM348835
PNG
(US9790235, Number I-88)
Show SMILES CC(C)CN(CC(C)C)Cc1cnc(Cl)nc1Oc1ccc2c3c4NC[C@@H](C)NC(=O)c4sc3ccc2n1
Show InChI InChI=1S/C28H33ClN6O2S/c1-15(2)12-35(13-16(3)4)14-18-11-31-28(29)34-27(18)37-22-9-6-19-20(33-22)7-8-21-23(19)24-25(38-21)26(36)32-17(5)10-30-24/h6-9,11,15-17,30H,10,12-14H2,1-5H3,(H,32,36)/t17-/m1/s1
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Celgene CAR LLC

US Patent


Assay Description
Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...


US Patent US9790235 (2017)

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