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Compile Data Set for Download or QSAR

Found 800 hits Enz. Inhib. hit(s) with Target = 'MAP kinase ERK2'   
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))
BDBM154588
PNG
(US8999957, Column 141, Compound 4 | US8999957, Tab...)
Show SMILES Fc1ccccc1CN1CCC[C@H](C1)NC(=O)c1ccc2[nH]nc(-c3ccnc(Cl)c3)c2c1
Show InChI InChI=1S/C25H23ClFN5O/c26-23-13-16(9-10-28-23)24-20-12-17(7-8-22(20)30-31-24)25(33)29-19-5-3-11-32(15-19)14-18-4-1-2-6-21(18)27/h1-2,4,6-10,12-13,19H,3,5,11,14-15H2,(H,29,33)(H,30,31)/t19-/m1/s1
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US Patent
n/an/a 25n/an/an/an/a7.225



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activity of compounds against inactive ERK2 was tested in a coupled MEK1/ERK2 IMAP assay as follows: Compounds were diluted to 25x final test concent...


US Patent US8999957 (2015)


BindingDB Entry DOI: 10.7270/Q2GB22S9
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM154601
PNG
(US8999957, Column 155, Compound 1 | US8999957, Tab...)
Show SMILES CN1CC(CC(C1)c1ccccc1)NC(=O)c1ccc2[nH]nc(-c3ccncc3)c2c1
Show InChI InChI=1S/C25H25N5O/c1-30-15-20(17-5-3-2-4-6-17)13-21(16-30)27-25(31)19-7-8-23-22(14-19)24(29-28-23)18-9-11-26-12-10-18/h2-12,14,20-21H,13,15-16H2,1H3,(H,27,31)(H,28,29)
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n/an/a 7.40n/an/an/an/a7.225



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activity of compounds against inactive ERK2 was tested in a coupled MEK1/ERK2 IMAP assay as follows: Compounds were diluted to 25x final test concent...


US Patent US8999957 (2015)


BindingDB Entry DOI: 10.7270/Q2GB22S9
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM154590
PNG
(US8999957, Column 141, Compound 6 | US8999957, Tab...)
Show SMILES CC(C)Oc1ccc(cn1)-c1n[nH]c2ccc(cc12)C(=O)N[C@@H]1CCCN(Cc2ccccc2F)C1
Show InChI InChI=1S/C28H30FN5O2/c1-18(2)36-26-12-10-20(15-30-26)27-23-14-19(9-11-25(23)32-33-27)28(35)31-22-7-5-13-34(17-22)16-21-6-3-4-8-24(21)29/h3-4,6,8-12,14-15,18,22H,5,7,13,16-17H2,1-2H3,(H,31,35)(H,32,33)/t22-/m1/s1
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n/an/a 124n/an/an/an/a7.225



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activity of compounds against inactive ERK2 was tested in a coupled MEK1/ERK2 IMAP assay as follows: Compounds were diluted to 25x final test concent...


US Patent US8999957 (2015)


BindingDB Entry DOI: 10.7270/Q2GB22S9
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM154591
PNG
(US8999957, Column 141, Compound 7 | US8999957, Tab...)
Show SMILES Fc1ccccc1CN1CCC[C@H](C1)NC(=O)c1ccc2[nH]nc(-c3ccc4OCCc4c3)c2c1
Show InChI InChI=1S/C28H27FN4O2/c29-24-6-2-1-4-21(24)16-33-12-3-5-22(17-33)30-28(34)20-7-9-25-23(15-20)27(32-31-25)19-8-10-26-18(14-19)11-13-35-26/h1-2,4,6-10,14-15,22H,3,5,11-13,16-17H2,(H,30,34)(H,31,32)/t22-/m1/s1
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n/an/a 48.6n/an/an/an/a7.225



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activity of compounds against inactive ERK2 was tested in a coupled MEK1/ERK2 IMAP assay as follows: Compounds were diluted to 25x final test concent...


US Patent US8999957 (2015)


BindingDB Entry DOI: 10.7270/Q2GB22S9
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM154595
PNG
(US8999957, Column 148, Compound 1)
Show SMILES O=C(Nc1ccc2[nH]nc(-c3ccncc3)c2c1)C1CNCC(C1)c1ccccc1
Show InChI InChI=1S/C24H23N5O/c30-24(19-12-18(14-26-15-19)16-4-2-1-3-5-16)27-20-6-7-22-21(13-20)23(29-28-22)17-8-10-25-11-9-17/h1-11,13,18-19,26H,12,14-15H2,(H,27,30)(H,28,29)
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n/an/a 69.4n/an/an/an/a7.225



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activity of compounds against inactive ERK2 was tested in a coupled MEK1/ERK2 IMAP assay as follows: Compounds were diluted to 25x final test concent...


US Patent US8999957 (2015)


BindingDB Entry DOI: 10.7270/Q2GB22S9
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM154597
PNG
(US8999957, Column 152, Compound 2 | US8999957, Tab...)
Show SMILES O=C(N[C@H]1CCCN(Cc2ccccc2)C1)c1ccc2[nH]nc(-c3ccncc3)c2c1
Show InChI InChI=1S/C25H25N5O/c31-25(27-21-7-4-14-30(17-21)16-18-5-2-1-3-6-18)20-8-9-23-22(15-20)24(29-28-23)19-10-12-26-13-11-19/h1-3,5-6,8-13,15,21H,4,7,14,16-17H2,(H,27,31)(H,28,29)/t21-/m0/s1
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n/an/a 304n/an/an/an/a7.225



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activity of compounds against inactive ERK2 was tested in a coupled MEK1/ERK2 IMAP assay as follows: Compounds were diluted to 25x final test concent...


US Patent US8999957 (2015)


BindingDB Entry DOI: 10.7270/Q2GB22S9
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM154598
PNG
(US8999957, Column 153, Compound 3 | US8999957, Tab...)
Show SMILES Fc1ccccc1CN1CCC[C@@H](C1)NC(=O)c1ccc2[nH]nc(-c3ccncc3)c2c1
Show InChI InChI=1S/C25H24FN5O/c26-22-6-2-1-4-19(22)15-31-13-3-5-20(16-31)28-25(32)18-7-8-23-21(14-18)24(30-29-23)17-9-11-27-12-10-17/h1-2,4,6-12,14,20H,3,5,13,15-16H2,(H,28,32)(H,29,30)/t20-/m0/s1
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n/an/a 166n/an/an/an/a7.225



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activity of compounds against inactive ERK2 was tested in a coupled MEK1/ERK2 IMAP assay as follows: Compounds were diluted to 25x final test concent...


US Patent US8999957 (2015)


BindingDB Entry DOI: 10.7270/Q2GB22S9
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM154599
PNG
(US8999957, Column 153, Compound 4 | US8999957, Tab...)
Show SMILES O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)c1ccc2[nH]nc(-c3ccncc3)c2c1
Show InChI InChI=1S/C25H25N5O/c31-25(27-21-7-4-14-30(17-21)16-18-5-2-1-3-6-18)20-8-9-23-22(15-20)24(29-28-23)19-10-12-26-13-11-19/h1-3,5-6,8-13,15,21H,4,7,14,16-17H2,(H,27,31)(H,28,29)/t21-/m1/s1
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n/an/a 2.90n/an/an/an/a7.225



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activity of compounds against inactive ERK2 was tested in a coupled MEK1/ERK2 IMAP assay as follows: Compounds were diluted to 25x final test concent...


US Patent US8999957 (2015)


BindingDB Entry DOI: 10.7270/Q2GB22S9
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM154600
PNG
(US8999957, Column 153, Compound 5 | US8999957, Tab...)
Show SMILES Fc1ccccc1CN1CCC[C@H](C1)NC(=O)c1ccc2[nH]nc(-c3ccncc3)c2c1
Show InChI InChI=1S/C25H24FN5O/c26-22-6-2-1-4-19(22)15-31-13-3-5-20(16-31)28-25(32)18-7-8-23-21(14-18)24(30-29-23)17-9-11-27-12-10-17/h1-2,4,6-12,14,20H,3,5,13,15-16H2,(H,28,32)(H,29,30)/t20-/m1/s1
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n/an/a 1.10n/an/an/an/a7.225



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activity of compounds against inactive ERK2 was tested in a coupled MEK1/ERK2 IMAP assay as follows: Compounds were diluted to 25x final test concent...


US Patent US8999957 (2015)


BindingDB Entry DOI: 10.7270/Q2GB22S9
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM154601
PNG
(US8999957, Column 155, Compound 1 | US8999957, Tab...)
Show SMILES CN1CC(CC(C1)c1ccccc1)NC(=O)c1ccc2[nH]nc(-c3ccncc3)c2c1
Show InChI InChI=1S/C25H25N5O/c1-30-15-20(17-5-3-2-4-6-17)13-21(16-30)27-25(31)19-7-8-23-22(14-19)24(29-28-23)18-9-11-26-12-10-18/h2-12,14,20-21H,13,15-16H2,1H3,(H,27,31)(H,28,29)
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n/an/a 7.40n/an/an/an/a7.225



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activity of compounds against inactive ERK2 was tested in a coupled MEK1/ERK2 IMAP assay as follows: Compounds were diluted to 25x final test concent...


US Patent US8999957 (2015)


BindingDB Entry DOI: 10.7270/Q2GB22S9
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM154634
PNG
(US8999957, Table 1, Compound 2)
Show SMILES Fc1ccccc1CN1CCCC(C1)NC(=O)c1ccc2[nH]nc(-c3ccncc3)c2c1
Show InChI InChI=1S/C25H24FN5O/c26-22-6-2-1-4-19(22)15-31-13-3-5-20(16-31)28-25(32)18-7-8-23-21(14-18)24(30-29-23)17-9-11-27-12-10-17/h1-2,4,6-12,14,20H,3,5,13,15-16H2,(H,28,32)(H,29,30)
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n/an/a 14.4n/an/an/an/a7.225



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activity of compounds against inactive ERK2 was tested in a coupled MEK1/ERK2 IMAP assay as follows: Compounds were diluted to 25x final test concent...


US Patent US8999957 (2015)


BindingDB Entry DOI: 10.7270/Q2GB22S9
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM154635
PNG
(US8999957, Table 1, Compound 3)
Show SMILES O=C(NC1CCCN(Cc2ccccc2)C1)c1ccc2[nH]nc(-c3ccncc3)c2c1
Show InChI InChI=1S/C25H25N5O/c31-25(27-21-7-4-14-30(17-21)16-18-5-2-1-3-6-18)20-8-9-23-22(15-20)24(29-28-23)19-10-12-26-13-11-19/h1-3,5-6,8-13,15,21H,4,7,14,16-17H2,(H,27,31)(H,28,29)
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n/an/a 16.6n/an/an/an/a7.225



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activity of compounds against inactive ERK2 was tested in a coupled MEK1/ERK2 IMAP assay as follows: Compounds were diluted to 25x final test concent...


US Patent US8999957 (2015)


BindingDB Entry DOI: 10.7270/Q2GB22S9
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM154597
PNG
(US8999957, Column 152, Compound 2 | US8999957, Tab...)
Show SMILES O=C(N[C@H]1CCCN(Cc2ccccc2)C1)c1ccc2[nH]nc(-c3ccncc3)c2c1
Show InChI InChI=1S/C25H25N5O/c31-25(27-21-7-4-14-30(17-21)16-18-5-2-1-3-6-18)20-8-9-23-22(15-20)24(29-28-23)19-10-12-26-13-11-19/h1-3,5-6,8-13,15,21H,4,7,14,16-17H2,(H,27,31)(H,28,29)/t21-/m0/s1
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n/an/a 304n/an/an/an/a7.225



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activity of compounds against inactive ERK2 was tested in a coupled MEK1/ERK2 IMAP assay as follows: Compounds were diluted to 25x final test concent...


US Patent US8999957 (2015)


BindingDB Entry DOI: 10.7270/Q2GB22S9
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM154598
PNG
(US8999957, Column 153, Compound 3 | US8999957, Tab...)
Show SMILES Fc1ccccc1CN1CCC[C@@H](C1)NC(=O)c1ccc2[nH]nc(-c3ccncc3)c2c1
Show InChI InChI=1S/C25H24FN5O/c26-22-6-2-1-4-19(22)15-31-13-3-5-20(16-31)28-25(32)18-7-8-23-21(14-18)24(30-29-23)17-9-11-27-12-10-17/h1-2,4,6-12,14,20H,3,5,13,15-16H2,(H,28,32)(H,29,30)/t20-/m0/s1
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n/an/a 166n/an/an/an/a7.225



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activity of compounds against inactive ERK2 was tested in a coupled MEK1/ERK2 IMAP assay as follows: Compounds were diluted to 25x final test concent...


US Patent US8999957 (2015)


BindingDB Entry DOI: 10.7270/Q2GB22S9
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM154599
PNG
(US8999957, Column 153, Compound 4 | US8999957, Tab...)
Show SMILES O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)c1ccc2[nH]nc(-c3ccncc3)c2c1
Show InChI InChI=1S/C25H25N5O/c31-25(27-21-7-4-14-30(17-21)16-18-5-2-1-3-6-18)20-8-9-23-22(15-20)24(29-28-23)19-10-12-26-13-11-19/h1-3,5-6,8-13,15,21H,4,7,14,16-17H2,(H,27,31)(H,28,29)/t21-/m1/s1
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n/an/a 2.90n/an/an/an/a7.225



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activity of compounds against inactive ERK2 was tested in a coupled MEK1/ERK2 IMAP assay as follows: Compounds were diluted to 25x final test concent...


US Patent US8999957 (2015)


BindingDB Entry DOI: 10.7270/Q2GB22S9
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM154600
PNG
(US8999957, Column 153, Compound 5 | US8999957, Tab...)
Show SMILES Fc1ccccc1CN1CCC[C@H](C1)NC(=O)c1ccc2[nH]nc(-c3ccncc3)c2c1
Show InChI InChI=1S/C25H24FN5O/c26-22-6-2-1-4-19(22)15-31-13-3-5-20(16-31)28-25(32)18-7-8-23-21(14-18)24(30-29-23)17-9-11-27-12-10-17/h1-2,4,6-12,14,20H,3,5,13,15-16H2,(H,28,32)(H,29,30)/t20-/m1/s1
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n/an/a 1.10n/an/an/an/a7.225



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activity of compounds against inactive ERK2 was tested in a coupled MEK1/ERK2 IMAP assay as follows: Compounds were diluted to 25x final test concent...


US Patent US8999957 (2015)


BindingDB Entry DOI: 10.7270/Q2GB22S9
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM154640
PNG
(US8999957, Table 1, Compound 8)
Show SMILES CC(C)Oc1ccc(cn1)-c1n[nH]c2ccc(cc12)C(=O)NC1CCCN(Cc2ccccc2F)C1
Show InChI InChI=1S/C28H30FN5O2/c1-18(2)36-26-12-10-20(15-30-26)27-23-14-19(9-11-25(23)32-33-27)28(35)31-22-7-5-13-34(17-22)16-21-6-3-4-8-24(21)29/h3-4,6,8-12,14-15,18,22H,5,7,13,16-17H2,1-2H3,(H,31,35)(H,32,33)
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n/an/a 307n/an/an/an/a7.225



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activity of compounds against inactive ERK2 was tested in a coupled MEK1/ERK2 IMAP assay as follows: Compounds were diluted to 25x final test concent...


US Patent US8999957 (2015)


BindingDB Entry DOI: 10.7270/Q2GB22S9
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM154641
PNG
(US8999957, Table 1, Compound 9)
Show SMILES O=C(NC1CCCN(Cc2ccccc2)C1)c1ccc2[nH]nc(-c3ccc4OCCc4c3)c2c1
Show InChI InChI=1S/C28H28N4O2/c33-28(29-23-7-4-13-32(18-23)17-19-5-2-1-3-6-19)22-8-10-25-24(16-22)27(31-30-25)21-9-11-26-20(15-21)12-14-34-26/h1-3,5-6,8-11,15-16,23H,4,7,12-14,17-18H2,(H,29,33)(H,30,31)
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n/an/a 172n/an/an/an/a7.225



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activity of compounds against inactive ERK2 was tested in a coupled MEK1/ERK2 IMAP assay as follows: Compounds were diluted to 25x final test concent...


US Patent US8999957 (2015)


BindingDB Entry DOI: 10.7270/Q2GB22S9
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM154642
PNG
(US8999957, Table 1, Compound 10)
Show SMILES Fc1ccccc1CN1CCCC(C1)NC(=O)c1ccc2[nH]nc(-c3ccc4OCCc4c3)c2c1
Show InChI InChI=1S/C28H27FN4O2/c29-24-6-2-1-4-21(24)16-33-12-3-5-22(17-33)30-28(34)20-7-9-25-23(15-20)27(32-31-25)19-8-10-26-18(14-19)11-13-35-26/h1-2,4,6-10,14-15,22H,3,5,11-13,16-17H2,(H,30,34)(H,31,32)
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n/an/a 231n/an/an/an/a7.225



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activity of compounds against inactive ERK2 was tested in a coupled MEK1/ERK2 IMAP assay as follows: Compounds were diluted to 25x final test concent...


US Patent US8999957 (2015)


BindingDB Entry DOI: 10.7270/Q2GB22S9
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM154643
PNG
(US8999957, Table 1, Compound 11)
Show SMILES CC(N1CCC[C@H](C1)NC(=O)c1ccc2[nH]nc(-c3ccncc3)c2c1)c1ccccc1
Show InChI InChI=1S/C26H27N5O/c1-18(19-6-3-2-4-7-19)31-15-5-8-22(17-31)28-26(32)21-9-10-24-23(16-21)25(30-29-24)20-11-13-27-14-12-20/h2-4,6-7,9-14,16,18,22H,5,8,15,17H2,1H3,(H,28,32)(H,29,30)/t18?,22-/m1/s1
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n/an/a 763n/an/an/an/a7.225



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activity of compounds against inactive ERK2 was tested in a coupled MEK1/ERK2 IMAP assay as follows: Compounds were diluted to 25x final test concent...


US Patent US8999957 (2015)


BindingDB Entry DOI: 10.7270/Q2GB22S9
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM154588
PNG
(US8999957, Column 141, Compound 4 | US8999957, Tab...)
Show SMILES Fc1ccccc1CN1CCC[C@H](C1)NC(=O)c1ccc2[nH]nc(-c3ccnc(Cl)c3)c2c1
Show InChI InChI=1S/C25H23ClFN5O/c26-23-13-16(9-10-28-23)24-20-12-17(7-8-22(20)30-31-24)25(33)29-19-5-3-11-32(15-19)14-18-4-1-2-6-21(18)27/h1-2,4,6-10,12-13,19H,3,5,11,14-15H2,(H,29,33)(H,30,31)/t19-/m1/s1
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n/an/a 25n/an/an/an/a7.225



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activity of compounds against inactive ERK2 was tested in a coupled MEK1/ERK2 IMAP assay as follows: Compounds were diluted to 25x final test concent...


US Patent US8999957 (2015)


BindingDB Entry DOI: 10.7270/Q2GB22S9
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM154589
PNG
(US8999957, Column 141, Compound 5 | US8999957, Tab...)
Show SMILES CC(C)Oc1ccc(cc1)-c1n[nH]c2ccc(cc12)C(=O)N[C@@H]1CCCN(Cc2ccccc2F)C1
Show InChI InChI=1S/C29H31FN4O2/c1-19(2)36-24-12-9-20(10-13-24)28-25-16-21(11-14-27(25)32-33-28)29(35)31-23-7-5-15-34(18-23)17-22-6-3-4-8-26(22)30/h3-4,6,8-14,16,19,23H,5,7,15,17-18H2,1-2H3,(H,31,35)(H,32,33)/t23-/m1/s1
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n/an/a 443n/an/an/an/a7.225



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activity of compounds against inactive ERK2 was tested in a coupled MEK1/ERK2 IMAP assay as follows: Compounds were diluted to 25x final test concent...


US Patent US8999957 (2015)


BindingDB Entry DOI: 10.7270/Q2GB22S9
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM154590
PNG
(US8999957, Column 141, Compound 6 | US8999957, Tab...)
Show SMILES CC(C)Oc1ccc(cn1)-c1n[nH]c2ccc(cc12)C(=O)N[C@@H]1CCCN(Cc2ccccc2F)C1
Show InChI InChI=1S/C28H30FN5O2/c1-18(2)36-26-12-10-20(15-30-26)27-23-14-19(9-11-25(23)32-33-27)28(35)31-22-7-5-13-34(17-22)16-21-6-3-4-8-24(21)29/h3-4,6,8-12,14-15,18,22H,5,7,13,16-17H2,1-2H3,(H,31,35)(H,32,33)/t22-/m1/s1
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n/an/a 124n/an/an/an/a7.225



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activity of compounds against inactive ERK2 was tested in a coupled MEK1/ERK2 IMAP assay as follows: Compounds were diluted to 25x final test concent...


US Patent US8999957 (2015)


BindingDB Entry DOI: 10.7270/Q2GB22S9
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM154591
PNG
(US8999957, Column 141, Compound 7 | US8999957, Tab...)
Show SMILES Fc1ccccc1CN1CCC[C@H](C1)NC(=O)c1ccc2[nH]nc(-c3ccc4OCCc4c3)c2c1
Show InChI InChI=1S/C28H27FN4O2/c29-24-6-2-1-4-21(24)16-33-12-3-5-22(17-33)30-28(34)20-7-9-25-23(15-20)27(32-31-25)19-8-10-26-18(14-19)11-13-35-26/h1-2,4,6-10,14-15,22H,3,5,11-13,16-17H2,(H,30,34)(H,31,32)/t22-/m1/s1
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n/an/a 48.6n/an/an/an/a7.225



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activity of compounds against inactive ERK2 was tested in a coupled MEK1/ERK2 IMAP assay as follows: Compounds were diluted to 25x final test concent...


US Patent US8999957 (2015)


BindingDB Entry DOI: 10.7270/Q2GB22S9
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM154589
PNG
(US8999957, Column 141, Compound 5 | US8999957, Tab...)
Show SMILES CC(C)Oc1ccc(cc1)-c1n[nH]c2ccc(cc12)C(=O)N[C@@H]1CCCN(Cc2ccccc2F)C1
Show InChI InChI=1S/C29H31FN4O2/c1-19(2)36-24-12-9-20(10-13-24)28-25-16-21(11-14-27(25)32-33-28)29(35)31-23-7-5-15-34(18-23)17-22-6-3-4-8-26(22)30/h3-4,6,8-14,16,19,23H,5,7,15,17-18H2,1-2H3,(H,31,35)(H,32,33)/t23-/m1/s1
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n/an/a 443n/an/an/an/a7.225



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activity of compounds against inactive ERK2 was tested in a coupled MEK1/ERK2 IMAP assay as follows: Compounds were diluted to 25x final test concent...


US Patent US8999957 (2015)


BindingDB Entry DOI: 10.7270/Q2GB22S9
More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM193676
PNG
(US9670208, Example 295 4-(3-(cyclopropylmethyl)-[1...)
Show SMILES Cn1nccc1Nc1cc(ccn1)-c1ccn2c(CC3CC3)nnc2c1
Show InChI InChI=1S/C19H19N7/c1-25-17(5-8-21-25)22-16-11-14(4-7-20-16)15-6-9-26-18(10-13-2-3-13)23-24-19(26)12-15/h4-9,11-13H,2-3,10H2,1H3,(H,20,22)
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n/an/a 0.400n/an/an/an/a7.3n/a



Array BioPharma Inc.; Genentech, Inc.

US Patent


Assay Description
Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an n-terminal 6-His fusion pro...


US Patent US9670208 (2017)


BindingDB Entry DOI: 10.7270/Q2RJ4GMB
More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM193754
PNG
(US9670208, Example 306 N-(1-methyl-1H-pyrazol-5-yl...)
Show SMILES Cn1nccc1Nc1nccc(n1)-c1ccn2c(CS(=O)(=O)c3ccccc3)nnc2c1
Show InChI InChI=1S/C21H18N8O2S/c1-28-18(8-11-23-28)25-21-22-10-7-17(24-21)15-9-12-29-19(13-15)26-27-20(29)14-32(30,31)16-5-3-2-4-6-16/h2-13H,14H2,1H3,(H,22,24,25)
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n/an/a 1.80n/an/an/an/a7.3n/a



Array BioPharma Inc.; Genentech, Inc.

US Patent


Assay Description
Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an n-terminal 6-His fusion pro...


US Patent US9670208 (2017)


BindingDB Entry DOI: 10.7270/Q2RJ4GMB
More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM193755
PNG
(US9670208, Example 307 4-(3-((cyclopentylthio)meth...)
Show SMILES Cn1nccc1Nc1nccc(n1)-c1ccn2c(CSC3CCCC3)nnc2c1
Show InChI InChI=1S/C20H22N8S/c1-27-17(7-10-22-27)24-20-21-9-6-16(23-20)14-8-11-28-18(12-14)25-26-19(28)13-29-15-4-2-3-5-15/h6-12,15H,2-5,13H2,1H3,(H,21,23,24)
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n/an/a 3.5n/an/an/an/a7.3n/a



Array BioPharma Inc.; Genentech, Inc.

US Patent


Assay Description
Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an n-terminal 6-His fusion pro...


US Patent US9670208 (2017)


BindingDB Entry DOI: 10.7270/Q2RJ4GMB
More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM193756
PNG
(US9670208, Example 317 4-(3-((4,4-difluorocyclohex...)
Show SMILES Cn1nccc1Nc1nccc(n1)-c1ccn2c(CC3CCC(F)(F)CC3)nnc2c1
Show InChI InChI=1S/C21H22F2N8/c1-30-17(5-10-25-30)27-20-24-9-4-16(26-20)15-6-11-31-18(28-29-19(31)13-15)12-14-2-7-21(22,23)8-3-14/h4-6,9-11,13-14H,2-3,7-8,12H2,1H3,(H,24,26,27)
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n/an/a 0.900n/an/an/an/a7.3n/a



Array BioPharma Inc.; Genentech, Inc.

US Patent


Assay Description
Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an n-terminal 6-His fusion pro...


US Patent US9670208 (2017)


BindingDB Entry DOI: 10.7270/Q2RJ4GMB
More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM193757
PNG
(US9670208, Example 377 4-(3-((dimethylamino)(4-flu...)
Show SMILES CN(C)C(c1nnc2cc(ccn12)-c1ccnc(Nc2ccnn2C)n1)c1ccc(F)cc1
Show InChI InChI=1S/C23H22FN9/c1-31(2)21(15-4-6-17(24)7-5-15)22-30-29-20-14-16(10-13-33(20)22)18-8-11-25-23(27-18)28-19-9-12-26-32(19)3/h4-14,21H,1-3H3,(H,25,27,28)
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n/an/a 5.40n/an/an/an/a7.3n/a



Array BioPharma Inc.; Genentech, Inc.

US Patent


Assay Description
Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an n-terminal 6-His fusion pro...


US Patent US9670208 (2017)


BindingDB Entry DOI: 10.7270/Q2RJ4GMB
More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM193758
PNG
(US9670208, Example 379 4-(3-((1s,3s)-adamantan-1-y...)
Show SMILES Cn1nccc1Nc1nccc(n1)-c1ccn2c(CC34CC5CC(CC(C5)C3)C4)nnc2c1
Show InChI InChI=1S/C25H28N8/c1-32-21(3-6-27-32)29-24-26-5-2-20(28-24)19-4-7-33-22(11-19)30-31-23(33)15-25-12-16-8-17(13-25)10-18(9-16)14-25/h2-7,11,16-18H,8-10,12-15H2,1H3,(H,26,28,29)
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n/an/a 2.40n/an/an/an/a7.3n/a



Array BioPharma Inc.; Genentech, Inc.

US Patent


Assay Description
Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an n-terminal 6-His fusion pro...


US Patent US9670208 (2017)


BindingDB Entry DOI: 10.7270/Q2RJ4GMB
More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM193769
PNG
(US9670208, Example 387 4-(3-(morpholin-2-yl)-[1,2,...)
Show SMILES C1COC(CN1)c1nnc2cc(ccn12)-c1ccnc(NC2CCOCC2)n1
Show InChI InChI=1S/C19H23N7O2/c1-5-21-19(22-14-3-8-27-9-4-14)23-15(1)13-2-7-26-17(11-13)24-25-18(26)16-12-20-6-10-28-16/h1-2,5,7,11,14,16,20H,3-4,6,8-10,12H2,(H,21,22,23)
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n/an/a 117n/an/an/an/a7.3n/a



Array BioPharma Inc.; Genentech, Inc.

US Patent


Assay Description
Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an n-terminal 6-His fusion pro...


US Patent US9670208 (2017)


BindingDB Entry DOI: 10.7270/Q2RJ4GMB
More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM193770
PNG
(US9670208, Example 396 N-(1-methyl-1H-pyrazol-5-yl...)
Show SMILES Cn1nccc1Nc1cc(ccn1)-c1ccn2c(CC3(CC3)C(F)(F)F)nnc2c1
Show InChI InChI=1S/C20H18F3N7/c1-29-16(3-8-25-29)26-15-10-13(2-7-24-15)14-4-9-30-17(11-14)27-28-18(30)12-19(5-6-19)20(21,22)23/h2-4,7-11H,5-6,12H2,1H3,(H,24,26)
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n/an/a 3.30n/an/an/an/a7.3n/a



Array BioPharma Inc.; Genentech, Inc.

US Patent


Assay Description
Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an n-terminal 6-His fusion pro...


US Patent US9670208 (2017)


BindingDB Entry DOI: 10.7270/Q2RJ4GMB
More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM193772
PNG
(US9670208, Example 398 4-(3-(2-fluorobenzyl)-[1,2,...)
Show SMILES Fc1ccccc1Cc1nnc2cc(ccn12)-c1ccnc(NC2CCOCC2)n1
Show InChI InChI=1S/C22H21FN6O/c23-18-4-2-1-3-15(18)13-20-27-28-21-14-16(6-10-29(20)21)19-5-9-24-22(26-19)25-17-7-11-30-12-8-17/h1-6,9-10,14,17H,7-8,11-13H2,(H,24,25,26)
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n/an/a 3n/an/an/an/a7.3n/a



Array BioPharma Inc.; Genentech, Inc.

US Patent


Assay Description
Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an n-terminal 6-His fusion pro...


US Patent US9670208 (2017)


BindingDB Entry DOI: 10.7270/Q2RJ4GMB
More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM193773
PNG
(US9670208, Example 402 4-(3-(4-fluorobenzyl)-[1,2,...)
Show SMILES Fc1ccc(Cc2nnc3cc(ccn23)-c2ccnc(NC3CCOCC3)n2)cc1
Show InChI InChI=1S/C22H21FN6O/c23-17-3-1-15(2-4-17)13-20-27-28-21-14-16(6-10-29(20)21)19-5-9-24-22(26-19)25-18-7-11-30-12-8-18/h1-6,9-10,14,18H,7-8,11-13H2,(H,24,25,26)
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n/an/a 0.600n/an/an/an/a7.3n/a



Array BioPharma Inc.; Genentech, Inc.

US Patent


Assay Description
Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an n-terminal 6-His fusion pro...


US Patent US9670208 (2017)


BindingDB Entry DOI: 10.7270/Q2RJ4GMB
More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM193776
PNG
(US9670208, Example 403 4-(3-(3-fluoro-4-methoxyben...)
Show SMILES COc1ccc(Cc2nnc3cc(ccn23)-c2ccnc(NC3CCOCC3)n2)cc1F
Show InChI InChI=1S/C23H23FN6O2/c1-31-20-3-2-15(12-18(20)24)13-21-28-29-22-14-16(5-9-30(21)22)19-4-8-25-23(27-19)26-17-6-10-32-11-7-17/h2-5,8-9,12,14,17H,6-7,10-11,13H2,1H3,(H,25,26,27)
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n/an/a 0.900n/an/an/an/a7.3n/a



Array BioPharma Inc.; Genentech, Inc.

US Patent


Assay Description
Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an n-terminal 6-His fusion pro...


US Patent US9670208 (2017)


BindingDB Entry DOI: 10.7270/Q2RJ4GMB
More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM193777
PNG
(US9670208, Example 411 4-([1,2,4]triazolo[4,3-a]py...)
Show SMILES Cn1nccc1Nc1nccc(n1)-c1ccn2cnnc2c1
Show InChI InChI=1S/C14H12N8/c1-21-12(3-6-17-21)19-14-15-5-2-11(18-14)10-4-7-22-9-16-20-13(22)8-10/h2-9H,1H3,(H,15,18,19)
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n/an/a 11n/an/an/an/a7.3n/a



Array BioPharma Inc.; Genentech, Inc.

US Patent


Assay Description
Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an n-terminal 6-His fusion pro...


US Patent US9670208 (2017)


BindingDB Entry DOI: 10.7270/Q2RJ4GMB
More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM193778
PNG
(US9670208, Example 419 4-(3-(1-(4-fluorophenyl)-5-...)
Show SMILES Cc1cc(nn1-c1ccc(F)cc1)-c1nnc2cc(ccn12)-c1ccnc(Nc2cnn(C)c2)n1
Show InChI InChI=1S/C24H19FN10/c1-15-11-21(32-35(15)19-5-3-17(25)4-6-19)23-31-30-22-12-16(8-10-34(22)23)20-7-9-26-24(29-20)28-18-13-27-33(2)14-18/h3-14H,1-2H3,(H,26,28,29)
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n/an/a 135n/an/an/an/a7.3n/a



Array BioPharma Inc.; Genentech, Inc.

US Patent


Assay Description
Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an n-terminal 6-His fusion pro...


US Patent US9670208 (2017)


BindingDB Entry DOI: 10.7270/Q2RJ4GMB
More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM193780
PNG
(US9670208, Example 467 N-(1-(3-chloro-4-fluorophen...)
Show SMILES CC(=O)NC(Cc1nnc2cc(ccn12)-c1ccnc(Nc2ccnn2C)n1)c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C24H21ClFN9O/c1-14(36)29-20(15-3-4-18(26)17(25)11-15)13-23-33-32-22-12-16(7-10-35(22)23)19-5-8-27-24(30-19)31-21-6-9-28-34(21)2/h3-12,20H,13H2,1-2H3,(H,29,36)(H,27,30,31)
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n/an/a 1.80n/an/an/an/a7.3n/a



Array BioPharma Inc.; Genentech, Inc.

US Patent


Assay Description
Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an n-terminal 6-His fusion pro...


US Patent US9670208 (2017)


BindingDB Entry DOI: 10.7270/Q2RJ4GMB
More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM193781
PNG
(US9670208, Example 493 4-(3-((6-ethoxypyridin-3-yl...)
Show SMILES CCOc1ccc(Cc2nnc3cc(ccn23)-c2ccnc(Nc3ccnn3C)n2)cn1
Show InChI InChI=1S/C22H21N9O/c1-3-32-21-5-4-15(14-24-21)12-19-28-29-20-13-16(8-11-31(19)20)17-6-9-23-22(26-17)27-18-7-10-25-30(18)2/h4-11,13-14H,3,12H2,1-2H3,(H,23,26,27)
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n/an/a 0.800n/an/an/an/a7.3n/a



Array BioPharma Inc.; Genentech, Inc.

US Patent


Assay Description
Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an n-terminal 6-His fusion pro...


US Patent US9670208 (2017)


BindingDB Entry DOI: 10.7270/Q2RJ4GMB
More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM193782
PNG
(US9670208, Example 512 (7-(2-((1-methyl-1H-pyrazol...)
Show SMILES Cn1nccc1Nc1nccc(n1)-c1ccn2c(nnc2c1)C(=O)C1CCCC1
Show InChI InChI=1S/C20H20N8O/c1-27-16(7-10-22-27)24-20-21-9-6-15(23-20)14-8-11-28-17(12-14)25-26-19(28)18(29)13-4-2-3-5-13/h6-13H,2-5H2,1H3,(H,21,23,24)
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n/an/a 172n/an/an/an/a7.3n/a



Array BioPharma Inc.; Genentech, Inc.

US Patent


Assay Description
Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an n-terminal 6-His fusion pro...


US Patent US9670208 (2017)


BindingDB Entry DOI: 10.7270/Q2RJ4GMB
More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM193783
PNG
(US9670208, Example 563 2-cyclopropyl-1-(7-(2-((1-m...)
Show SMILES Cn1nccc1Nc1nccc(n1)-c1ccn2c(CC(C)(O)C3CC3)nnc2c1
Show InChI InChI=1S/C20H22N8O/c1-20(29,14-3-4-14)12-18-26-25-17-11-13(7-10-28(17)18)15-5-8-21-19(23-15)24-16-6-9-22-27(16)2/h5-11,14,29H,3-4,12H2,1-2H3,(H,21,23,24)
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n/an/a 661n/an/an/an/a7.3n/a



Array BioPharma Inc.; Genentech, Inc.

US Patent


Assay Description
Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an n-terminal 6-His fusion pro...


US Patent US9670208 (2017)


BindingDB Entry DOI: 10.7270/Q2RJ4GMB
More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM192427
PNG
(US9187462, II-37)
Show SMILES COc1ccc(cc1F)[C@H](NC(=O)c1ccc2cnc(N[C@H]3CCOC[C@@H]3F)nc2c1)c1ccnn1C
Show InChI InChI=1S/C26H26F2N6O3/c1-34-22(7-9-30-34)24(15-5-6-23(36-2)18(27)11-15)33-25(35)16-3-4-17-13-29-26(32-21(17)12-16)31-20-8-10-37-14-19(20)28/h3-7,9,11-13,19-20,24H,8,10,14H2,1-2H3,(H,33,35)(H,29,31,32)/t19-,20-,24-/m0/s1
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n/an/a 3.60n/an/an/an/a7.3n/a



Array BioPharma Inc.; Genentech, Inc.

US Patent


Assay Description
Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an N-terminal 6-His fusion pro...


US Patent US9187462 (2015)


BindingDB Entry DOI: 10.7270/Q21G0K2P
More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM192428
PNG
(US9187462, II-38)
Show SMILES COc1ccc(cc1F)[C@H](NC(=O)c1ccc2cnc(Nc3ccnn3C)nc2c1)c1ccnn1C
Show InChI InChI=1S/C25H23FN8O2/c1-33-20(8-10-28-33)23(15-6-7-21(36-3)18(26)12-15)32-24(35)16-4-5-17-14-27-25(30-19(17)13-16)31-22-9-11-29-34(22)2/h4-14,23H,1-3H3,(H,32,35)(H,27,30,31)/t23-/m0/s1
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n/an/a 2.90n/an/an/an/a7.3n/a



Array BioPharma Inc.; Genentech, Inc.

US Patent


Assay Description
Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an N-terminal 6-His fusion pro...


US Patent US9187462 (2015)


BindingDB Entry DOI: 10.7270/Q21G0K2P
More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM192429
PNG
(US9187462, II-39)
Show SMILES Cn1nccc1[C@@H](NC(=O)c1ccc2cnc(NC3CCOCC3)nc2c1)c1ccc(Cl)c(F)c1
Show InChI InChI=1S/C25H24ClFN6O2/c1-33-22(6-9-29-33)23(15-4-5-19(26)20(27)12-15)32-24(34)16-2-3-17-14-28-25(31-21(17)13-16)30-18-7-10-35-11-8-18/h2-6,9,12-14,18,23H,7-8,10-11H2,1H3,(H,32,34)(H,28,30,31)/t23-/m0/s1
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n/an/a 151n/an/an/an/a7.3n/a



Array BioPharma Inc.; Genentech, Inc.

US Patent


Assay Description
Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an N-terminal 6-His fusion pro...


US Patent US9187462 (2015)


BindingDB Entry DOI: 10.7270/Q21G0K2P
More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM192430
PNG
(US9187462, II-40)
Show SMILES Cn1nccc1[C@@H](NC(=O)c1ccc2cnc(NC3CCOCC3)nc2c1)c1ccc(C#N)c(Cl)c1
Show InChI InChI=1S/C26H24ClN7O2/c1-34-23(6-9-30-34)24(16-2-4-18(14-28)21(27)12-16)33-25(35)17-3-5-19-15-29-26(32-22(19)13-17)31-20-7-10-36-11-8-20/h2-6,9,12-13,15,20,24H,7-8,10-11H2,1H3,(H,33,35)(H,29,31,32)/t24-/m0/s1
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n/an/a 26n/an/an/an/a7.3n/a



Array BioPharma Inc.; Genentech, Inc.

US Patent


Assay Description
Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an N-terminal 6-His fusion pro...


US Patent US9187462 (2015)


BindingDB Entry DOI: 10.7270/Q21G0K2P
More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM192431
PNG
(US9187462, II-41)
Show SMILES Cn1cc(cn1)[C@@H](NC(=O)c1ccc2cnc(NC3CCOCC3)nc2c1)c1ccc(c(F)c1)C(F)(F)F
Show InChI InChI=1S/C26H24F4N6O2/c1-36-14-18(13-32-36)23(15-4-5-20(21(27)10-15)26(28,29)30)35-24(37)16-2-3-17-12-31-25(34-22(17)11-16)33-19-6-8-38-9-7-19/h2-5,10-14,19,23H,6-9H2,1H3,(H,35,37)(H,31,33,34)/t23-/m0/s1
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n/an/a 5.20n/an/an/an/a7.3n/a



Array BioPharma Inc.; Genentech, Inc.

US Patent


Assay Description
Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an N-terminal 6-His fusion pro...


US Patent US9187462 (2015)


BindingDB Entry DOI: 10.7270/Q21G0K2P
More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM192432
PNG
(US9187462, II-42)
Show SMILES Cn1nccc1Nc1ncc2ccc(cc2n1)C(=C)N[C@@H](c1ccc(Cl)c(F)c1)[C@]1(F)CCNC1
Show InChI InChI=1S/C25H24ClF2N7/c1-15(32-23(25(28)8-10-29-14-25)17-5-6-19(26)20(27)11-17)16-3-4-18-13-30-24(33-21(18)12-16)34-22-7-9-31-35(22)2/h3-7,9,11-13,23,29,32H,1,8,10,14H2,2H3,(H,30,33,34)/t23-,25-/m0/s1
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n/an/a 34.6n/an/an/an/a7.3n/a



Array BioPharma Inc.; Genentech, Inc.

US Patent


Assay Description
Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an N-terminal 6-His fusion pro...


US Patent US9187462 (2015)


BindingDB Entry DOI: 10.7270/Q21G0K2P
More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM192433
PNG
(US9187462, II-43)
Show SMILES Cn1cc(cn1)C(NC(=O)c1ccc2cnc(NC3CCOCC3)nc2c1)c1ccc(OC(F)F)cc1
Show InChI InChI=1S/C26H26F2N6O3/c1-34-15-19(14-30-34)23(16-4-6-21(7-5-16)37-25(27)28)33-24(35)17-2-3-18-13-29-26(32-22(18)12-17)31-20-8-10-36-11-9-20/h2-7,12-15,20,23,25H,8-11H2,1H3,(H,33,35)(H,29,31,32)
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n/an/a 12.1n/an/an/an/a7.3n/a



Array BioPharma Inc.; Genentech, Inc.

US Patent


Assay Description
Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an N-terminal 6-His fusion pro...


US Patent US9187462 (2015)


BindingDB Entry DOI: 10.7270/Q21G0K2P
More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM192365
PNG
(BDBM192434 | US9187462, I-45)
Show SMILES Cn1cc(cn1)[C@H](NC(=O)c1ccc2cnc(NC3CCOCC3)nc2c1)c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C26H24FN7O2/c1-34-15-20(14-30-34)24(16-2-4-18(12-28)22(27)10-16)33-25(35)17-3-5-19-13-29-26(32-23(19)11-17)31-21-6-8-36-9-7-21/h2-5,10-11,13-15,21,24H,6-9H2,1H3,(H,33,35)(H,29,31,32)/t24-/m1/s1
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n/an/a 216n/an/an/an/a7.3n/a



Array BioPharma Inc.; Genentech, Inc.

US Patent


Assay Description
Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an N-terminal 6-His fusion pro...


US Patent US9187462 (2015)


BindingDB Entry DOI: 10.7270/Q21G0K2P
More data for this
Ligand-Target Pair
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