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Patent code US9745307

Compile Data Set for Download or QSAR
Found 46 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
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM272794
PNG
(6-bromo-3-(2-methylpyridin-4-yl)-1,8-dihydro-7H-py...)
Show SMILES Cc1cc(ccn1)-c1n[nH]c2cc3[nH]c(=O)c(Br)cc3cc12
Show InChI InChI=1S/C16H9BrN4O/c1-8-4-9(2-3-18-8)15-11-5-10-6-12(17)16(22)19-13(10)7-14(11)20-21-15/h2-7H,1H3
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n/an/a 0.200n/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 (IC50) of each compound was dete...


US Patent US9745307 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM272795
PNG
(6-benzyl-3-(2-methylpyridin-4-yl)-1,8-dihydro-7H-p...)
Show SMILES Cc1cc(ccn1)-c1n[nH]c2cc3[nH]c(=O)c(Cc4ccccc4)cc3cc12
Show InChI InChI=1S/C23H16N4O/c1-14-9-16(7-8-24-14)22-19-12-17-11-18(10-15-5-3-2-4-6-15)23(28)25-20(17)13-21(19)26-27-22/h2-9,11-13H,10H2,1H3
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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 (IC50) of each compound was dete...


US Patent US9745307 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM272544
PNG
((R)-6-(1-(4-fluorophenyl)ethyl)-3-(2-methylpyridin...)
Show SMILES C[C@@H](N1Cc2cc3c(n[nH]c3cc2NC1=O)-c1ccnc(C)c1)c1ccc(F)cc1
Show InChI InChI=1S/C23H20FN5O/c1-13-9-16(7-8-25-13)22-19-10-17-12-29(14(2)15-3-5-18(24)6-4-15)23(30)26-20(17)11-21(19)27-28-22/h3-11,14H,12H2,1-2H3,(H,26,30)(H,27,28)/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 (IC50) of each compound was dete...


US Patent US9745307 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM272540
PNG
(US10065967, Example 6 | US9745307, Example 6)
Show SMILES Cn1cc(cn1)-c1n[nH]c2cc3[nH]c(=O)c(Br)cc3cc12
Show InChI InChI=1S/C14H8BrN5O/c1-20-6-8(5-16-20)13-9-2-7-3-10(15)14(21)17-11(7)4-12(9)18-19-13/h2-6H,1H3
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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 (IC50) of each compound was dete...


US Patent US9745307 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM272790
PNG
(US10065967, Example 41 | US9745307, Example 41)
Show SMILES C[C@@H](N1Cc2cc3c(n[nH]c3cc2NC1=O)-c1ccnc(F)c1)c1ccccc1
Show InChI InChI=1S/C22H18FN5O/c1-13(14-5-3-2-4-6-14)28-12-16-9-17-19(11-18(16)25-22(28)29)26-27-21(17)15-7-8-24-20(23)10-15/h2-11,13H,12H2,1H3,(H,25,29)(H,26,27)/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 (IC50) of each compound was dete...


US Patent US9745307 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM272541
PNG
(US10065967, Example 7 | US9745307, Example 7)
Show SMILES Cn1cc(cn1)-c1n[nH]c2cc3[nH]c(=O)c(Cc4ccccc4)cc3cc12
Show InChI InChI=1S/C21H15N5O/c1-26-12-16(11-22-26)20-17-9-14-8-15(7-13-5-3-2-4-6-13)21(27)23-18(14)10-19(17)24-25-20/h2-6,8-12H,7H2,1H3
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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 (IC50) of each compound was dete...


US Patent US9745307 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM337289
PNG
((R)-3-(1-methyl-1H-benzo[d][1,2,3]triazol-6-yl)-6-...)
Show SMILES C[C@@H](N1Cc2cc(C(=N)c3ccc4nnn(C)c4c3)c(N)cc2NC1=O)c1ccccc1
Show InChI InChI=1S/C24H23N7O/c1-14(15-6-4-3-5-7-15)31-13-17-10-18(19(25)12-21(17)27-24(31)32)23(26)16-8-9-20-22(11-16)30(2)29-28-20/h3-12,14,26H,13,25H2,1-2H3,(H,27,32)/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 (IC50) of each compound was dete...


US Patent US9745307 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM272554
PNG
(US10065967, Example 20 | US9624228, Example 2 | US...)
Show SMILES C[C@@H](N1Cc2cc3c(n[nH]c3cc2NC1=O)-c1ccnc(C)c1)c1ccccc1
Show InChI InChI=1S/C23H21N5O/c1-14-10-17(8-9-24-14)22-19-11-18-13-28(15(2)16-6-4-3-5-7-16)23(29)25-20(18)12-21(19)26-27-22/h3-12,15H,13H2,1-2H3,(H,25,29)(H,26,27)/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 (IC50) of each compound was dete...


US Patent US9745307 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM272538
PNG
(3-(1-methyl-1H-pyrazol-4-yl)-1,8-dihydro-7H-pyrazo...)
Show SMILES Cn1cc(cn1)-c1n[nH]c2cc3[nH]c(=O)ccc3cc12
Show InChI InChI=1S/C14H9N5O/c1-19-7-9(6-15-19)14-10-4-8-2-3-13(20)16-11(8)5-12(10)17-18-14/h2-7H,1H3
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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 (IC50) of each compound was dete...


US Patent US9745307 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM272793
PNG
(3-(2-methylpyridin-4-yl)-1,8-dihydro-7H-pyrazolo[4...)
Show SMILES Cc1cc(ccn1)-c1n[nH]c2cc3[nH]c(=O)ccc3cc12
Show InChI InChI=1S/C16H10N4O/c1-9-6-11(4-5-17-9)16-12-7-10-2-3-15(21)18-13(10)8-14(12)19-20-16/h2-8H,1H3
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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 (IC50) of each compound was dete...


US Patent US9745307 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM272554
PNG
(US10065967, Example 20 | US9624228, Example 2 | US...)
Show SMILES C[C@@H](N1Cc2cc3c(n[nH]c3cc2NC1=O)-c1ccnc(C)c1)c1ccccc1
Show InChI InChI=1S/C23H21N5O/c1-14-10-17(8-9-24-14)22-19-11-18-13-28(15(2)16-6-4-3-5-7-16)23(29)25-20(18)12-21(19)26-27-22/h3-12,15H,13H2,1-2H3,(H,25,29)(H,26,27)/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 (IC50) of each compound was dete...


US Patent US9745307 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM272548
PNG
(US10065967, Example 14 | US9624228, Example 372 | ...)
Show SMILES Cc1cc(ccn1)-c1n[nH]c2cc3NC(=O)N(Cc4ccccc4)Cc3cc12
Show InChI InChI=1S/C22H19N5O/c1-14-9-16(7-8-23-14)21-18-10-17-13-27(12-15-5-3-2-4-6-15)22(28)24-19(17)11-20(18)25-26-21/h2-11H,12-13H2,1H3,(H,24,28)(H,25,26)
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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 (IC50) of each compound was dete...


US Patent US9745307 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM272555
PNG
(US10065967, Example 21 | US9745307, Example 21)
Show SMILES Cc1cccc(CN2Cc3cc4c(n[nH]c4cc3NC2=O)-c2ccnc(C)c2)n1
Show InChI InChI=1S/C22H20N6O/c1-13-4-3-5-17(24-13)12-28-11-16-9-18-20(10-19(16)25-22(28)29)26-27-21(18)15-6-7-23-14(2)8-15/h3-10H,11-12H2,1-2H3,(H,25,29)(H,26,27)
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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 (IC50) of each compound was dete...


US Patent US9745307 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM272547
PNG
(3-(2-methylpyridin-4-yl)-5,6-dihydro-1H-pyrazolo[4...)
Show SMILES Cc1cc(ccn1)-c1n[nH]c2cc3NC(=O)NCc3cc12
Show InChI InChI=1S/C15H13N5O/c1-8-4-9(2-3-16-8)14-11-5-10-7-17-15(21)18-12(10)6-13(11)19-20-14/h2-6H,7H2,1H3,(H,19,20)(H2,17,18,21)
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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 (IC50) of each compound was dete...


US Patent US9745307 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM272563
PNG
(US10065967, Example 28 | US9745307, Example 28)
Show SMILES COc1ncc(cn1)-c1n[nH]c2cc3NC(=O)N(Cc3cc12)[C@H](C)c1ccccc1
Show InChI InChI=1S/C22H20N6O2/c1-13(14-6-4-3-5-7-14)28-12-15-8-17-19(9-18(15)25-22(28)29)26-27-20(17)16-10-23-21(30-2)24-11-16/h3-11,13H,12H2,1-2H3,(H,25,29)(H,26,27)/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 (IC50) of each compound was dete...


US Patent US9745307 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM337280
PNG
(US9745307, Example 17)
Show SMILES CC[C@@H](N1Cc2cc3c(n[nH]c3cc2NC1=O)-c1ccnc(C)c1)c1ccc(F)cc1
Show InChI InChI=1S/C24H22FN5O/c1-3-22(15-4-6-18(25)7-5-15)30-13-17-11-19-21(12-20(17)27-24(30)31)28-29-23(19)16-8-9-26-14(2)10-16/h4-12,22H,3,13H2,1-2H3,(H,27,31)(H,28,29)/t22-/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 (IC50) of each compound was dete...


US Patent US9745307 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM272552
PNG
(US10065967, Example 18 | US9745307, Example 18)
Show SMILES COc1ccccc1CN1Cc2cc3c(n[nH]c3cc2NC1=O)-c1ccnc(C)c1
Show InChI InChI=1S/C23H21N5O2/c1-14-9-15(7-8-24-14)22-18-10-17-13-28(12-16-5-3-4-6-21(16)30-2)23(29)25-19(17)11-20(18)26-27-22/h3-11H,12-13H2,1-2H3,(H,25,29)(H,26,27)
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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 (IC50) of each compound was dete...


US Patent US9745307 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM272549
PNG
((R)-3-(1-methyl-1H-benzo[d][1,2,3]triazol-6-yl)-6-...)
Show SMILES C[C@H](c1ccccc1)n1c(=O)[nH]c2cc3[nH]nc(-c4ccc5nnn(C)c5c4)c3cc2c1=O
Show InChI InChI=1S/C24H17N7O2/c1-13(14-6-4-3-5-7-14)31-23(32)17-11-16-20(12-19(17)25-24(31)33)26-28-22(16)15-8-9-18-21(10-15)30(2)29-27-18/h3-13H,1-2H3/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 (IC50) of each compound was dete...


US Patent US9745307 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM272553
PNG
(US10065967, Example 19 | US9745307, Example 19)
Show SMILES COc1ccccc1CCN1Cc2cc3c(n[nH]c3cc2NC1=O)-c1ccnc(C)c1
Show InChI InChI=1S/C24H23N5O2/c1-15-11-17(7-9-25-15)23-19-12-18-14-29(10-8-16-5-3-4-6-22(16)31-2)24(30)26-20(18)13-21(19)27-28-23/h3-7,9,11-13H,8,10,14H2,1-2H3,(H,26,30)(H,27,28)
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n/an/a 2.30n/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 (IC50) of each compound was dete...


US Patent US9745307 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM337297
PNG
(US9745307, Example 34)
Show SMILES C[C@@H](N1Cc2cc(C(=N)NC(C)=O)c(N)cc2NC1=O)c1ccccc1
Show InChI InChI=1S/C19H21N5O2/c1-11(13-6-4-3-5-7-13)24-10-14-8-15(18(21)22-12(2)25)16(20)9-17(14)23-19(24)26/h3-9,11H,10,20H2,1-2H3,(H,23,26)(H2,21,22,25)/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 (IC50) of each compound was dete...


US Patent US9745307 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM337271
PNG
(8-hydroxy-3-(2-methylpyridin-4-yl)-5,6-dihydro-1H-...)
Show SMILES Cc1cc(ccn1)-c1n[nH]c2cc3n(O)c(=O)ccc3cc12
Show InChI InChI=1S/C16H12N4O2/c1-9-6-11(4-5-17-9)16-12-7-10-2-3-15(21)20(22)14(10)8-13(12)18-19-16/h2-8,22H,1H3,(H,18,19)
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n/an/a 3.60n/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 (IC50) of each compound was dete...


US Patent US9745307 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM272557
PNG
(US10065967, Example 23 | US9745307, Example 23)
Show SMILES C[C@H](c1ccccc1)n1c(=O)[nH]c2cc3[nH]nc(-c4ccnc(C)c4)c3cc2c1=O
Show InChI InChI=1S/C23H17N5O2/c1-13-10-16(8-9-24-13)21-17-11-18-19(12-20(17)26-27-21)25-23(30)28(22(18)29)14(2)15-6-4-3-5-7-15/h3-12,14H,1-2H3/t14-/m1/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 (IC50) of each compound was dete...


US Patent US9745307 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM272550
PNG
(US10065967, Example 16 | US9745307, Example 16)
Show SMILES Cc1cc(ccn1)-c1n[nH]c2cc3NC(=O)N(Cc3cc12)C1CCCOc2ccccc12
Show InChI InChI=1S/C25H23N5O2/c1-15-11-16(8-9-26-15)24-19-12-17-14-30(25(31)27-20(17)13-21(19)28-29-24)22-6-4-10-32-23-7-3-2-5-18(22)23/h2-3,5,7-9,11-13,22H,4,6,10,14H2,1H3,(H,27,31)(H,28,29)
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n/an/a 4.80n/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 (IC50) of each compound was dete...


US Patent US9745307 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM337296
PNG
((R)-methyl(7-oxo-6-(1-phenylethyl)-5,6,7,8-tetrahy...)
Show SMILES COC(=O)NC(=N)c1cc2CN([C@H](C)c3ccccc3)C(=O)Nc2cc1N
Show InChI InChI=1S/C19H21N5O3/c1-11(12-6-4-3-5-7-12)24-10-13-8-14(17(21)23-19(26)27-2)15(20)9-16(13)22-18(24)25/h3-9,11H,10,20H2,1-2H3,(H,22,25)(H2,21,23,26)/t11-/m1/s1
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n/an/a 5.20n/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 (IC50) of each compound was dete...


US Patent US9745307 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM272576
PNG
(US10065967, Example 36 | US9745307, Example 36)
Show SMILES COCCOc1n[nH]c2cc3NC(=O)N(Cc3cc12)[C@H](C)c1ccccc1
Show InChI InChI=1S/C20H22N4O3/c1-13(14-6-4-3-5-7-14)24-12-15-10-16-18(11-17(15)21-20(24)25)22-23-19(16)27-9-8-26-2/h3-7,10-11,13H,8-9,12H2,1-2H3,(H,21,25)(H,22,23)/t13-/m1/s1
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n/an/a 6.40n/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 (IC50) of each compound was dete...


US Patent US9745307 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM272791
PNG
((R)-3-morpholino-6-(1-phenylethyl)-5,6-dihydro-1H-...)
Show SMILES C[C@@H](N1Cc2cc3c(n[nH]c3cc2NC1=O)N1CCOCC1)c1ccccc1
Show InChI InChI=1S/C21H23N5O2/c1-14(15-5-3-2-4-6-15)26-13-16-11-17-19(12-18(16)22-21(26)27)23-24-20(17)25-7-9-28-10-8-25/h2-6,11-12,14H,7-10,13H2,1H3,(H,22,27)(H,23,24)/t14-/m1/s1
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n/an/a 9n/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 (IC50) of each compound was dete...


US Patent US9745307 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM272561
PNG
(US10065967, Example 27 | US9745307, Example 27)
Show SMILES C[C@@H](N1Cc2cc3c(n[nH]c3cc2NC1=O)-c1ccc(nc1)C#N)c1ccccc1
Show InChI InChI=1S/C23H18N6O/c1-14(15-5-3-2-4-6-15)29-13-17-9-19-21(10-20(17)26-23(29)30)27-28-22(19)16-7-8-18(11-24)25-12-16/h2-10,12,14H,13H2,1H3,(H,26,30)(H,27,28)/t14-/m1/s1
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n/an/a 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 (IC50) of each compound was dete...


US Patent US9745307 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM272788
PNG
(US10065967, Example 39 | US9745307, Example 39)
Show SMILES C[C@@H](N1Cc2cc3c(OC4CCOCC4)n[nH]c3cc2NC1=O)c1ccccc1
Show InChI InChI=1S/C22H24N4O3/c1-14(15-5-3-2-4-6-15)26-13-16-11-18-20(12-19(16)23-22(26)27)24-25-21(18)29-17-7-9-28-10-8-17/h2-6,11-12,14,17H,7-10,13H2,1H3,(H,23,27)(H,24,25)/t14-/m1/s1
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n/an/a 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 (IC50) of each compound was dete...


US Patent US9745307 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM272558
PNG
(3-morpholino-1-pyrazolo[4,3-g]quinolin-7(8H)-one |...)
Show SMILES O=c1ccc2cc3c(n[nH]c3cc2[nH]1)N1CCOCC1
Show InChI InChI=1S/C14H12N4O2/c19-13-2-1-9-7-10-12(8-11(9)15-13)16-17-14(10)18-3-5-20-6-4-18/h1-2,7-8H,3-6H2
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n/an/a 12n/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 (IC50) of each compound was dete...


US Patent US9745307 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM272786
PNG
(US10065967, Example 37 | US9745307, Example 37)
Show SMILES C[C@@H](N1Cc2cc3c(OCCO)n[nH]c3cc2NC1=O)c1ccccc1
Show InChI InChI=1S/C19H20N4O3/c1-12(13-5-3-2-4-6-13)23-11-14-9-15-17(10-16(14)20-19(23)25)21-22-18(15)26-8-7-24/h2-6,9-10,12,24H,7-8,11H2,1H3,(H,20,25)(H,21,22)/t12-/m1/s1
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n/an/a 20n/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 (IC50) of each compound was dete...


US Patent US9745307 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM337295
PNG
((R)-3-amino-6-(1-phenylethyl)-5,6-dihydro-1H-pyraz...)
Show SMILES C[C@@H](N1Cc2cc(C(N)=N)c(N)cc2NC1=O)c1ccccc1
Show InChI InChI=1S/C17H19N5O/c1-10(11-5-3-2-4-6-11)22-9-12-7-13(16(19)20)14(18)8-15(12)21-17(22)23/h2-8,10H,9,18H2,1H3,(H3,19,20)(H,21,23)/t10-/m1/s1
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n/an/a 21n/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 (IC50) of each compound was dete...


US Patent US9745307 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM272787
PNG
(6-((R)-1-phenylethyl)-3-((tetrahydrofuran-3-yl)oxy...)
Show SMILES C[C@@H](N1Cc2cc3c(OC4CCOC4)n[nH]c3cc2NC1=O)c1ccccc1
Show InChI InChI=1S/C21H22N4O3/c1-13(14-5-3-2-4-6-14)25-11-15-9-17-19(10-18(15)22-21(25)26)23-24-20(17)28-16-7-8-27-12-16/h2-6,9-10,13,16H,7-8,11-12H2,1H3,(H,22,26)(H,23,24)/t13-,16?/m1/s1
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n/an/a 21n/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 (IC50) of each compound was dete...


US Patent US9745307 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM337292
PNG
((R)-3-(ethylamino)-6-(1-phenylethyl)-5,6-dihydro-1...)
Show SMILES CCNC(=N)c1cc2CN([C@H](C)c3ccccc3)C(=O)Nc2cc1N
Show InChI InChI=1S/C19H23N5O/c1-3-22-18(21)15-9-14-11-24(12(2)13-7-5-4-6-8-13)19(25)23-17(14)10-16(15)20/h4-10,12H,3,11,20H2,1-2H3,(H2,21,22)(H,23,25)/t12-/m1/s1
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n/an/a 22n/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 (IC50) of each compound was dete...


US Patent US9745307 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM272789
PNG
((R)-3-cyclopropyl-6-(1-phenylethyl)-5,6-dihydro-1H...)
Show SMILES C[C@@H](N1Cc2cc3c(n[nH]c3cc2NC1=O)C1CC1)c1ccccc1
Show InChI InChI=1S/C20H20N4O/c1-12(13-5-3-2-4-6-13)24-11-15-9-16-18(10-17(15)21-20(24)25)22-23-19(16)14-7-8-14/h2-6,9-10,12,14H,7-8,11H2,1H3,(H,21,25)(H,22,23)/t12-/m1/s1
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n/an/a 24n/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 (IC50) of each compound was dete...


US Patent US9745307 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM272556
PNG
(US10065967, Example 22 | US9745307, Example 22)
Show SMILES Cc1cc(ccn1)-c1n[nH]c2cc3NC(=O)N(Cc3cc12)[C@@H]1CCCCc2ccccc12
Show InChI InChI=1S/C26H25N5O/c1-16-12-18(10-11-27-16)25-21-13-19-15-31(26(32)28-22(19)14-23(21)29-30-25)24-9-5-3-7-17-6-2-4-8-20(17)24/h2,4,6,8,10-14,24H,3,5,7,9,15H2,1H3,(H,28,32)(H,29,30)/t24-/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 (IC50) of each compound was dete...


US Patent US9745307 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM337266
PNG
((R)-3-(6,7-dihydrothiazolo[5,4-c]pyridin-5(4H)-yl)...)
Show SMILES C[C@@H](N1Cc2cc3c(n[nH]c3cc2NC1=O)N1CCc2ncsc2C1)c1ccccc1
Show InChI InChI=1S/C23H22N6OS/c1-14(15-5-3-2-4-6-15)29-11-16-9-17-20(10-19(16)25-23(29)30)26-27-22(17)28-8-7-18-21(12-28)31-13-24-18/h2-6,9-10,13-14H,7-8,11-12H2,1H3,(H,25,30)(H,26,27)/t14-/m1/s1
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n/an/a 24n/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 (IC50) of each compound was dete...


US Patent US9745307 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM337293
PNG
(6-((R)-1-phenylethyl)-3-(((S)-1,1,1-trifluoropropa...)
Show SMILES C[C@H](NC(=N)c1cc2CN([C@H](C)c3ccccc3)C(=O)Nc2cc1N)C(F)(F)F
Show InChI InChI=1S/C20H22F3N5O/c1-11(13-6-4-3-5-7-13)28-10-14-8-15(16(24)9-17(14)27-19(28)29)18(25)26-12(2)20(21,22)23/h3-9,11-12H,10,24H2,1-2H3,(H2,25,26)(H,27,29)/t11-,12+/m1/s1
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n/an/a 25n/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 (IC50) of each compound was dete...


US Patent US9745307 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM272559
PNG
(US10065967, Example 25 | US9745307, Example 25)
Show SMILES O=c1ccc2cc3c(n[nH]c3cc2[nH]1)N1CCCCC1
Show InChI InChI=1S/C15H14N4O/c20-14-5-4-10-8-11-13(9-12(10)16-14)17-18-15(11)19-6-2-1-3-7-19/h4-5,8-9H,1-3,6-7H2
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n/an/a 42n/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 (IC50) of each compound was dete...


US Patent US9745307 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM272568
PNG
((R)-3-amino-6-(1-phenylethyl)-5,6-dihydro-1H-pyraz...)
Show SMILES C[C@@H](N1Cc2cc3c(N)n[nH]c3cc2NC1=O)c1ccccc1
Show InChI InChI=1S/C17H17N5O/c1-10(11-5-3-2-4-6-11)22-9-12-7-13-15(20-21-16(13)18)8-14(12)19-17(22)23/h2-8,10H,9H2,1H3,(H,19,23)(H3,18,20,21)/t10-/m1/s1
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n/an/a 45n/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 (IC50) of each compound was dete...


US Patent US9745307 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM272792
PNG
(US10065967, Example 43 | US9745307, Example 43)
Show SMILES C[C@@H](N1Cc2cc3c(I)n[nH]c3cc2NC1=O)c1ccccc1
Show InChI InChI=1S/C17H15IN4O/c1-10(11-5-3-2-4-6-11)22-9-12-7-13-15(20-21-16(13)18)8-14(12)19-17(22)23/h2-8,10H,9H2,1H3,(H,19,23)(H,20,21)/t10-/m1/s1
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n/an/a 48n/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 (IC50) of each compound was dete...


US Patent US9745307 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM337294
PNG
(6-((R)-1-phenylethyl)-3-(((S)-1,1,1-trifluoropropa...)
Show SMILES C[C@@H](N1Cc2cc(C=N)c(N)cc2NC1=O)c1ccccc1
Show InChI InChI=1S/C17H18N4O/c1-11(12-5-3-2-4-6-12)21-10-14-7-13(9-18)15(19)8-16(14)20-17(21)22/h2-9,11,18H,10,19H2,1H3,(H,20,22)/t11-/m1/s1
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n/an/a 55n/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 (IC50) of each compound was dete...


US Patent US9745307 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM272546
PNG
((R)-7-(1-(4-fluorophenyl)ethyl)-3-(2-methyl pyridi...)
Show SMILES C[C@@H](N1CCc2cc3c(n[nH]c3cc2NC1=O)-c1ccnc(C)c1)c1ccc(F)cc1
Show InChI InChI=1S/C24H22FN5O/c1-14-11-18(7-9-26-14)23-20-12-17-8-10-30(15(2)16-3-5-19(25)6-4-16)24(31)27-21(17)13-22(20)28-29-23/h3-7,9,11-13,15H,8,10H2,1-2H3,(H,27,31)(H,28,29)/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 (IC50) of each compound was dete...


US Patent US9745307 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM272575
PNG
(US10065967, Example 35 | US9745307, Example 35)
Show SMILES COc1n[nH]c2cc3NC(=O)N(Cc3cc12)[C@H](C)c1ccccc1
Show InChI InChI=1S/C18H18N4O2/c1-11(12-6-4-3-5-7-12)22-10-13-8-14-16(20-21-17(14)24-2)9-15(13)19-18(22)23/h3-9,11H,10H2,1-2H3,(H,19,23)(H,20,21)/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 (IC50) of each compound was dete...


US Patent US9745307 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM272539
PNG
(US10065967, Example 5 | US9745307, Example 5)
Show SMILES O=c1ccc2cc3cn[nH]c3cc2[nH]1
Show InChI InChI=1S/C10H5N3O/c14-10-2-1-6-3-7-5-11-13-9(7)4-8(6)12-10/h1-5H
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n/an/a 228n/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 (IC50) of each compound was dete...


US Patent US9745307 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM272543
PNG
(3-(2-methylpyridin-4-yl)-5,6,7,9-tetrahydroazepino...)
Show SMILES Cc1cc(ccn1)-c1n[nH]c2cc3NC(=O)CCCc3cc12
Show InChI InChI=1S/C17H16N4O/c1-10-7-12(5-6-18-10)17-13-8-11-3-2-4-16(22)19-14(11)9-15(13)20-21-17/h5-9H,2-4H2,1H3,(H,19,22)(H,20,21)
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n/an/a 252n/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 (IC50) of each compound was dete...


US Patent US9745307 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM272545
PNG
(7-(4-fluorobenzyl)-9-hydroxy-3-(2-methylpyridin-4-...)
Show SMILES Cc1cc(ccn1)-c1n[nH]c2cc3N(O)C(=O)N(Cc4ccc(F)cc4)CCc3cc12
Show InChI InChI=1S/C23H20FN5O2/c1-14-10-17(6-8-25-14)22-19-11-16-7-9-28(13-15-2-4-18(24)5-3-15)23(30)29(31)21(16)12-20(19)26-27-22/h2-6,8,10-12,31H,7,9,13H2,1H3,(H,26,27)
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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 (IC50) of each compound was dete...


US Patent US9745307 (2017)

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