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Patent code US9546168

Compile Data Set for Download or QSAR
Found 29 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 ERK2


(Homo sapiens (human))
BDBM204807
PNG
(US9546168, ex 16)
Show SMILES C[C@@H](O)[C@@H](NC(=O)Nc1cc2[nH]nc(-c3ccc(F)cc3)c2c(CO)n1)c1ccccc1
Show InChI InChI=1S/C23H22FN5O3/c1-13(31)21(14-5-3-2-4-6-14)27-23(32)26-19-11-17-20(18(12-30)25-19)22(29-28-17)15-7-9-16(24)10-8-15/h2-11,13,21,30-31H,12H2,1H3,(H,28,29)(H2,25,26,27,32)/t13-,21-/m1/s1
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n/an/a 0.230n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC.sub.50) of each compound was...


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM204806
PNG
(US9546168, ex 15)
Show SMILES CC(C)(O)[C@@H](NC(=O)Nc1cc2[nH]nc(-c3ccc(F)cc3)c2c(CO)n1)c1ccc(F)cc1
Show InChI InChI=1S/C24H23F2N5O3/c1-24(2,34)22(14-5-9-16(26)10-6-14)29-23(33)28-19-11-17-20(18(12-32)27-19)21(31-30-17)13-3-7-15(25)8-4-13/h3-11,22,32,34H,12H2,1-2H3,(H,30,31)(H2,27,28,29,33)/t22-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC.sub.50) of each compound was...


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM204804
PNG
(US9546168, ex 13)
Show SMILES CC(C)(O)[C@@H](NC(=O)Nc1cc2[nH]nc(-c3ccc(F)cc3)c2c(CO)n1)c1ccccc1
Show InChI InChI=1S/C24H24FN5O3/c1-24(2,33)22(15-6-4-3-5-7-15)28-23(32)27-19-12-17-20(18(13-31)26-19)21(30-29-17)14-8-10-16(25)11-9-14/h3-12,22,31,33H,13H2,1-2H3,(H,29,30)(H2,26,27,28,32)/t22-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC.sub.50) of each compound was...


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM204788
PNG
(US9546168, ex 1)
Show SMILES C[C@@H](NC(=O)Nc1cc2[nH]nc(-c3ccnc(C)c3)c2c(C)n1)c1ccccc1
Show InChI InChI=1S/C22H22N6O/c1-13-11-17(9-10-23-13)21-20-15(3)24-19(12-18(20)27-28-21)26-22(29)25-14(2)16-7-5-4-6-8-16/h4-12,14H,1-3H3,(H,27,28)(H2,24,25,26,29)/t14-/m1/s1
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n/an/a 0.370n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC.sub.50) of each compound was...


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM204805
PNG
(US9546168, ex 14)
Show SMILES C[C@@H](O)[C@@H](NC(=O)Nc1cc2[nH]nc(-c3ccc(F)cc3)c2c(CO)n1)c1ccc(F)cc1
Show InChI InChI=1S/C23H21F2N5O3/c1-12(32)21(13-2-6-15(24)7-3-13)28-23(33)27-19-10-17-20(18(11-31)26-19)22(30-29-17)14-4-8-16(25)9-5-14/h2-10,12,21,31-32H,11H2,1H3,(H,29,30)(H2,26,27,28,33)/t12-,21-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC.sub.50) of each compound was...


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM204791
PNG
(US9546168, ex 4)
Show SMILES C[C@@H](NC(=O)Nc1cc2[nH]nc(-c3ccnc(C)c3)c2c(CO)n1)c1ccccc1
Show InChI InChI=1S/C22H22N6O2/c1-13-10-16(8-9-23-13)21-20-17(27-28-21)11-19(25-18(20)12-29)26-22(30)24-14(2)15-6-4-3-5-7-15/h3-11,14,29H,12H2,1-2H3,(H,27,28)(H2,24,25,26,30)/t14-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC.sub.50) of each compound was...


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM204802
PNG
(US9546168, ex 11)
Show SMILES C[C@@H](NC(=O)Nc1cc2[nH]nc(-c3ccc(F)cc3)c2c(CO)n1)c1ccccc1
Show InChI InChI=1S/C22H20FN5O2/c1-13(14-5-3-2-4-6-14)24-22(30)26-19-11-17-20(18(12-29)25-19)21(28-27-17)15-7-9-16(23)10-8-15/h2-11,13,29H,12H2,1H3,(H,27,28)(H2,24,25,26,30)/t13-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC.sub.50) of each compound was...


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM204821
PNG
(US9546168, ex 23)
Show SMILES CC(C)(O)[C@@H](NC(=O)Nc1cc2[nH]nc(C(F)F)c2c(CO)n1)c1ccc(F)cc1
Show InChI InChI=1S/C19H20F3N5O3/c1-19(2,30)16(9-3-5-10(20)6-4-9)25-18(29)24-13-7-11-14(12(8-28)23-13)15(17(21)22)27-26-11/h3-7,16-17,28,30H,8H2,1-2H3,(H,26,27)(H2,23,24,25,29)/t16-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC.sub.50) of each compound was...


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM204817
PNG
(US9546168, ex 19)
Show SMILES CC(C)(O)[C@@H](NC(=O)Nc1cc2[nH]nc(-c3ccc(cc3)C#N)c2c(CO)n1)c1ccccc1
Show InChI InChI=1S/C25H24N6O3/c1-25(2,34)23(17-6-4-3-5-7-17)29-24(33)28-20-12-18-21(19(14-32)27-20)22(31-30-18)16-10-8-15(13-26)9-11-16/h3-12,23,32,34H,14H2,1-2H3,(H,30,31)(H2,27,28,29,33)/t23-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC.sub.50) of each compound was...


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM204800
PNG
(US9546168, ex 10)
Show SMILES Cc1cc(ccn1)-c1n[nH]c2cc(NC(=O)N[C@H](COC(F)F)c3ccccc3)nc(CO)c12
Show InChI InChI=1S/C23H22F2N6O3/c1-13-9-15(7-8-26-13)21-20-16(30-31-21)10-19(27-17(20)11-32)29-23(33)28-18(12-34-22(24)25)14-5-3-2-4-6-14/h2-10,18,22,32H,11-12H2,1H3,(H,30,31)(H2,27,28,29,33)/t18-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC.sub.50) of each compound was...


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM204792
PNG
(US9546168, ex 5)
Show SMILES C[C@@H](NC(=O)Nc1cc2[nH]nc(C3CC3)c2c(CO)n1)c1ccccc1
Show InChI InChI=1S/C19H21N5O2/c1-11(12-5-3-2-4-6-12)20-19(26)22-16-9-14-17(15(10-25)21-16)18(24-23-14)13-7-8-13/h2-6,9,11,13,25H,7-8,10H2,1H3,(H,23,24)(H2,20,21,22,26)/t11-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC.sub.50) of each compound was...


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM204799
PNG
(US9546168, ex 9)
Show SMILES C[C@@H](O)[C@@H](NC(=O)Nc1cc2[nH]nc(C3CC3)c2c(CO)n1)c1ccccc1
Show InChI InChI=1S/C20H23N5O3/c1-11(27)18(12-5-3-2-4-6-12)23-20(28)22-16-9-14-17(15(10-26)21-16)19(25-24-14)13-7-8-13/h2-6,9,11,13,18,26-27H,7-8,10H2,1H3,(H,24,25)(H2,21,22,23,28)/t11-,18-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC.sub.50) of each compound was...


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM204820
PNG
(US9546168, ex 22)
Show SMILES CC(C)(O)[C@@H](NC(=O)Nc1cc2[nH]nc(C(F)F)c2c(CO)n1)c1ccccc1
Show InChI InChI=1S/C19H21F2N5O3/c1-19(2,29)16(10-6-4-3-5-7-10)24-18(28)23-13-8-11-14(12(9-27)22-13)15(17(20)21)26-25-11/h3-8,16-17,27,29H,9H2,1-2H3,(H,25,26)(H2,22,23,24,28)/t16-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC.sub.50) of each compound was...


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM204796
PNG
(US9546168, ex 7)
Show SMILES CC(C)(O)[C@@H](NC(=O)Nc1cc2[nH]nc(C3CC3)c2c(CO)n1)c1ccc(F)cc1
Show InChI InChI=1S/C21H24FN5O3/c1-21(2,30)19(12-5-7-13(22)8-6-12)25-20(29)24-16-9-14-17(15(10-28)23-16)18(27-26-14)11-3-4-11/h5-9,11,19,28,30H,3-4,10H2,1-2H3,(H,26,27)(H2,23,24,25,29)/t19-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC.sub.50) of each compound was...


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM204798
PNG
(US9546168, ex 8)
Show SMILES C[C@@H](O)[C@@H](NC(=O)Nc1cc2[nH]nc(C3CC3)c2c(CO)n1)c1ccc(F)cc1
Show InChI InChI=1S/C20H22FN5O3/c1-10(28)18(11-4-6-13(21)7-5-11)24-20(29)23-16-8-14-17(15(9-27)22-16)19(26-25-14)12-2-3-12/h4-8,10,12,18,27-28H,2-3,9H2,1H3,(H,25,26)(H2,22,23,24,29)/t10-,18-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC.sub.50) of each compound was...


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM204790
PNG
(US9546168, ex 3)
Show SMILES C[C@@H](NC(=O)Nc1cc2[nH]nc(-c3ccnc(F)c3)c2c(CO)n1)c1ccccc1
Show InChI InChI=1S/C21H19FN6O2/c1-12(13-5-3-2-4-6-13)24-21(30)26-18-10-15-19(16(11-29)25-18)20(28-27-15)14-7-8-23-17(22)9-14/h2-10,12,29H,11H2,1H3,(H,27,28)(H2,24,25,26,30)/t12-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC.sub.50) of each compound was...


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM204818
PNG
(US9546168, ex 20)
Show SMILES COCc1nc(NC(=O)N[C@H](C)c2ccccc2)cc2[nH]nc(-c3ccnc(C)c3)c12
Show InChI InChI=1S/C23H24N6O2/c1-14-11-17(9-10-24-14)22-21-18(28-29-22)12-20(26-19(21)13-31-3)27-23(30)25-15(2)16-7-5-4-6-8-16/h4-12,15H,13H2,1-3H3,(H,28,29)(H2,25,26,27,30)/t15-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC.sub.50) of each compound was...


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM204789
PNG
(US9546168, ex 2)
Show SMILES C[C@@H](NC(=O)Nc1cc2[nH]nc(-c3ccnc(F)c3)c2c(C)n1)c1ccccc1
Show InChI InChI=1S/C21H19FN6O/c1-12(14-6-4-3-5-7-14)25-21(29)26-18-11-16-19(13(2)24-18)20(28-27-16)15-8-9-23-17(22)10-15/h3-12H,1-2H3,(H,27,28)(H2,24,25,26,29)/t12-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC.sub.50) of each compound was...


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM204822
PNG
(US9546168, ex 24)
Show SMILES C[C@@H](NC(=O)Nc1cc2[nH]nc(C(F)F)c2c(CO)n1)c1ccccc1
Show InChI InChI=1S/C17H17F2N5O2/c1-9(10-5-3-2-4-6-10)20-17(26)22-13-7-11-14(12(8-25)21-13)15(16(18)19)24-23-11/h2-7,9,16,25H,8H2,1H3,(H,23,24)(H2,20,21,22,26)/t9-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC.sub.50) of each compound was...


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM204803
PNG
(US9546168, ex 12)
Show SMILES C[C@@H](NC(=O)Nc1cc2[nH]nc(-c3ccnc(c3)C#N)c2c(CO)n1)c1ccccc1
Show InChI InChI=1S/C22H19N7O2/c1-13(14-5-3-2-4-6-14)25-22(31)27-19-10-17-20(18(12-30)26-19)21(29-28-17)15-7-8-24-16(9-15)11-23/h2-10,13,30H,12H2,1H3,(H,28,29)(H2,25,26,27,31)/t13-/m1/s1
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n/an/a 1.64n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC.sub.50) of each compound was...


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM204824
PNG
(US9546168, ex 25)
Show SMILES C[C@@H](NC(=O)Nc1cc2[nH]nc(CO)c2c(CO)n1)c1ccccc1
Show InChI InChI=1S/C17H19N5O3/c1-10(11-5-3-2-4-6-11)18-17(25)20-15-7-12-16(13(8-23)19-15)14(9-24)22-21-12/h2-7,10,23-24H,8-9H2,1H3,(H,21,22)(H2,18,19,20,25)/t10-/m1/s1
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n/an/a 1.85n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC.sub.50) of each compound was...


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM204812
PNG
(US9546168, ex 18)
Show SMILES CC(C)(O)[C@@H](NC(=O)Nc1cc2[nH]nc(-c3ccccc3)c2c(CO)n1)c1ccccc1
Show InChI InChI=1S/C24H25N5O3/c1-24(2,32)22(16-11-7-4-8-12-16)27-23(31)26-19-13-17-20(18(14-30)25-19)21(29-28-17)15-9-5-3-6-10-15/h3-13,22,30,32H,14H2,1-2H3,(H,28,29)(H2,25,26,27,31)/t22-/m0/s1
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n/an/a 3.70n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC.sub.50) of each compound was...


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM204795
PNG
(US9546168, ex 6)
Show SMILES CC(C)(O)[C@@H](NC(=O)Nc1cc2[nH]nc(C3CC3)c2c(CO)n1)c1ccccc1
Show InChI InChI=1S/C21H25N5O3/c1-21(2,29)19(13-6-4-3-5-7-13)24-20(28)23-16-10-14-17(15(11-27)22-16)18(26-25-14)12-8-9-12/h3-7,10,12,19,27,29H,8-9,11H2,1-2H3,(H,25,26)(H2,22,23,24,28)/t19-/m0/s1
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n/an/a 4.34n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC.sub.50) of each compound was...


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM204825
PNG
(US9546168, ex 26 | US9546168, ex 27)
Show SMILES C[C@@H](NC(=O)Nc1cc2[nH]nc(C(C)=O)c2c(CO)n1)c1ccccc1
Show InChI InChI=1S/C18H19N5O3/c1-10(12-6-4-3-5-7-12)19-18(26)21-15-8-13-16(14(9-24)20-15)17(11(2)25)23-22-13/h3-8,10,24H,9H2,1-2H3,(H,22,23)(H2,19,20,21,26)/t10-/m1/s1
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n/an/a 5.52n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC.sub.50) of each compound was...


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM204819
PNG
(US9546168, ex 21)
Show SMILES Cc1nc(NC(=O)N[C@@H](c2ccccc2)C(C)(C)O)cc2[nH]nc(C(F)F)c12
Show InChI InChI=1S/C19H21F2N5O2/c1-10-14-12(25-26-15(14)17(20)21)9-13(22-10)23-18(27)24-16(19(2,3)28)11-7-5-4-6-8-11/h4-9,16-17,28H,1-3H3,(H,25,26)(H2,22,23,24,27)/t16-/m0/s1
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n/an/a 6.10n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC.sub.50) of each compound was...


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM204809
PNG
(US9546168, ex 17)
Show SMILES CC(C)(C)[C@@H](NC(=O)Nc1cc2[nH]nc(-c3ccc(F)cc3)c2c(CO)n1)c1ccccc1
Show InChI InChI=1S/C25H26FN5O2/c1-25(2,3)23(16-7-5-4-6-8-16)29-24(33)28-20-13-18-21(19(14-32)27-20)22(31-30-18)15-9-11-17(26)12-10-15/h4-13,23,32H,14H2,1-3H3,(H,30,31)(H2,27,28,29,33)/t23-/m0/s1
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n/an/a 8.64n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC.sub.50) of each compound was...


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM204825
PNG
(US9546168, ex 26 | US9546168, ex 27)
Show SMILES C[C@@H](NC(=O)Nc1cc2[nH]nc(C(C)=O)c2c(CO)n1)c1ccccc1
Show InChI InChI=1S/C18H19N5O3/c1-10(12-6-4-3-5-7-12)19-18(26)21-15-8-13-16(14(9-24)20-15)17(11(2)25)23-22-13/h3-8,10,24H,9H2,1-2H3,(H,22,23)(H2,19,20,21,26)/t10-/m1/s1
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n/an/a 12.7n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC.sub.50) of each compound was...


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM204925
PNG
(US9546168, ex 29)
Show SMILES C[C@@H](NC(=O)Nc1cc2[nH]nc(c2c(CO)n1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C17H16F3N5O2/c1-9(10-5-3-2-4-6-10)21-16(27)23-13-7-11-14(12(8-26)22-13)15(25-24-11)17(18,19)20/h2-7,9,26H,8H2,1H3,(H,24,25)(H2,21,22,23,27)/t9-/m1/s1
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n/an/a 13.3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC.sub.50) of each compound was...


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM204827
PNG
(US9546168, ex 28)
Show SMILES CC(C)(O)[C@@H](NC(=O)Nc1cc2[nH]nc(c2c(CO)n1)C(C)(F)F)c1ccccc1
Show InChI InChI=1S/C20H23F2N5O3/c1-19(2,30)16(11-7-5-4-6-8-11)25-18(29)24-14-9-12-15(13(10-28)23-14)17(27-26-12)20(3,21)22/h4-9,16,28,30H,10H2,1-3H3,(H,26,27)(H2,23,24,25,29)/t16-/m0/s1
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n/an/a 14.1n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC.sub.50) of each compound was...


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