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Compile Data Set for Download or QSAR

Found 1029 hits of ph data with Target = 'Mitogen-activated protein kinase 1'   
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


(Homo sapiens (human))
BDBM110206
PNG
(1-[2-(Dimethylamino)ethyl]-5-(2-hydroxy-4-methoxyb...)
Show SMILES COc1ccc(C(=O)c2ccc(=O)n(CCN(C)C)c2)c(O)c1
Show InChI InChI=1S/C17H20N2O4/c1-18(2)8-9-19-11-12(4-7-16(19)21)17(22)14-6-5-13(23-3)10-15(14)20/h4-7,10-11,20H,8-9H2,1-3H3
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n/an/a>3.00E+5n/an/an/an/a7.0n/a



University of Delhi, Delhi 110007, India



Assay Description
EGFR was incubated with 8 mM MOPS (pH 7.0), 0.2 mM EDTA, 10 mM MnCl2, 0.1 mg/mL poly(Glu, Tyr) 4:1. MAPK1 was incubated with 25 mM Tris (pH 7.5), 0.0...


Bioorg Chem 53: 75-82 (2014)


Article DOI: 10.1016/j.bioorg.2014.02.001
BindingDB Entry DOI: 10.7270/Q2HX1BBK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (human))
BDBM7533
PNG
((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1
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n/an/a 2.20E+4n/an/an/an/a7.230



Chinese Academy of Sciences



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/[gamma-32P] ATP. 32P...


J Biol Chem 280: 31220-9 (2005)


Article DOI: 10.1074/jbc.M500805200
BindingDB Entry DOI: 10.7270/Q2Q81B9F
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


(Homo sapiens (human))
BDBM10910
PNG
((2R)-2-{[6-(benzyloxy)-9-(propan-2-yl)-9H-purin-2-...)
Show SMILES CC[C@H](CO)Nc1nc(OCc2ccccc2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C19H25N5O2/c1-4-15(10-25)21-19-22-17-16(20-12-24(17)13(2)3)18(23-19)26-11-14-8-6-5-7-9-14/h5-9,12-13,15,25H,4,10-11H2,1-3H3,(H,21,22,23)/t15-/m1/s1
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n/an/a 7.00E+5n/an/an/an/a7.230



Chinese Academy of Sciences



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/[gamma-32P] ATP. 32P...


J Biol Chem 280: 31220-9 (2005)


Article DOI: 10.1074/jbc.M500805200
BindingDB Entry DOI: 10.7270/Q2Q81B9F
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))
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


(Homo sapiens (human))
BDBM10909
PNG
((2R)-2-({6-[benzyl(methyl)amino]-9-(propan-2-yl)-9...)
Show SMILES CC[C@H](CO)Nc1nc(N(C)Cc2ccccc2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C20H28N6O/c1-5-16(12-27)22-20-23-18(25(4)11-15-9-7-6-8-10-15)17-19(24-20)26(13-21-17)14(2)3/h6-10,13-14,16,27H,5,11-12H2,1-4H3,(H,22,23,24)/t16-/m1/s1
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PubMed
n/an/a>1.00E+6n/an/an/an/a7.230



Chinese Academy of Sciences



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/[gamma-32P] ATP. 32P...


J Biol Chem 280: 31220-9 (2005)


Article DOI: 10.1074/jbc.M500805200
BindingDB Entry DOI: 10.7270/Q2Q81B9F
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (human))
BDBM120087
PNG
(US8697715, 2 | US9259470, 2)
Show SMILES OC[C@H](c1ccc(Cl)c(F)c1)n1ccc(cc1=O)-c1ccnc(N[C@H]2CCOC[C@H]2F)n1
Show InChI InChI=1S/C22H21ClF2N4O3/c23-15-2-1-14(9-16(15)24)20(11-30)29-7-4-13(10-21(29)31)18-3-6-26-22(27-18)28-19-5-8-32-12-17(19)25/h1-4,6-7,9-10,17,19-20,30H,5,8,11-12H2,(H,26,27,28)/t17-,19+,20-/m1/s1
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n/an/a 3.20n/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 US9259470 (2016)


BindingDB Entry DOI: 10.7270/Q28S4NSQ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (human))
BDBM120088
PNG
(US8697715, 3 | US9259470, 3)
Show SMILES OC[C@H](c1ccc(Cl)c(F)c1)n1ccc(cc1=O)-c1ccnc(N[C@@H]2CCOC[C@H]2F)n1
Show InChI InChI=1S/C22H21ClF2N4O3/c23-15-2-1-14(9-16(15)24)20(11-30)29-7-4-13(10-21(29)31)18-3-6-26-22(27-18)28-19-5-8-32-12-17(19)25/h1-4,6-7,9-10,17,19-20,30H,5,8,11-12H2,(H,26,27,28)/t17-,19-,20-/m1/s1
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n/an/a 4n/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 US9259470 (2016)


BindingDB Entry DOI: 10.7270/Q28S4NSQ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (human))
BDBM120089
PNG
(US8697715, 4 | US9259470, 4)
Show SMILES OC[C@H](c1ccc(Cl)c(Cl)c1)n1ccc(cc1=O)-c1ccnc(N[C@H]2CCOC[C@H]2F)n1
Show InChI InChI=1S/C22H21Cl2FN4O3/c23-15-2-1-14(9-16(15)24)20(11-30)29-7-4-13(10-21(29)31)18-3-6-26-22(27-18)28-19-5-8-32-12-17(19)25/h1-4,6-7,9-10,17,19-20,30H,5,8,11-12H2,(H,26,27,28)/t17-,19+,20-/m1/s1
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n/an/a 3.80n/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 US9259470 (2016)


BindingDB Entry DOI: 10.7270/Q28S4NSQ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (human))
BDBM120090
PNG
(US8697715, 11 | US9259470, 11)
Show SMILES OC[C@H](c1ccc(Cl)c(F)c1)n1ncc(cc1=O)-c1ccnc(NC2CCOCC2)n1
Show InChI InChI=1S/C21H21ClFN5O3/c22-16-2-1-13(9-17(16)23)19(12-29)28-20(30)10-14(11-25-28)18-3-6-24-21(27-18)26-15-4-7-31-8-5-15/h1-3,6,9-11,15,19,29H,4-5,7-8,12H2,(H,24,26,27)/t19-/m1/s1
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n/an/a 13.6n/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 US9259470 (2016)


BindingDB Entry DOI: 10.7270/Q28S4NSQ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (human))
BDBM120091
PNG
(US8697715, 12 | US9259470, 12)
Show SMILES Cc1cnc(NC2CCOCC2)nc1-c1ccn(C(CO)c2ccc(Cl)c(F)c2)c(=O)c1
Show InChI InChI=1S/C23H24ClFN4O3/c1-14-12-26-23(27-17-5-8-32-9-6-17)28-22(14)16-4-7-29(21(31)11-16)20(13-30)15-2-3-18(24)19(25)10-15/h2-4,7,10-12,17,20,30H,5-6,8-9,13H2,1H3,(H,26,27,28)
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n/an/a 51.8n/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 US9259470 (2016)


BindingDB Entry DOI: 10.7270/Q28S4NSQ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (human))
BDBM120092
PNG
(US8697715, 14 | US9259470, 14)
Show SMILES OCC(c1ccc(Cl)c(F)c1)n1ccc(nc1=O)-c1ccnc(NC2CCOCC2)n1
Show InChI InChI=1S/C21H21ClFN5O3/c22-15-2-1-13(11-16(15)23)19(12-29)28-8-4-18(27-21(28)30)17-3-7-24-20(26-17)25-14-5-9-31-10-6-14/h1-4,7-8,11,14,19,29H,5-6,9-10,12H2,(H,24,25,26)
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n/an/a 15.6n/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 US9259470 (2016)


BindingDB Entry DOI: 10.7270/Q28S4NSQ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (human))
BDBM120093
PNG
(US8697715, 20 | US9259470, 20)
Show SMILES OC[C@H](c1ccc(Cl)c(F)c1)n1cc(F)c(cc1=O)-c1ccnc(NC2CCOCC2)n1
Show InChI InChI=1S/C22H21ClF2N4O3/c23-16-2-1-13(9-17(16)24)20(12-30)29-11-18(25)15(10-21(29)31)19-3-6-26-22(28-19)27-14-4-7-32-8-5-14/h1-3,6,9-11,14,20,30H,4-5,7-8,12H2,(H,26,27,28)/t20-/m1/s1
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n/an/a 146n/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 US9259470 (2016)


BindingDB Entry DOI: 10.7270/Q28S4NSQ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (human))
BDBM120094
PNG
(US8697715, 21 | US9259470, 21)
Show SMILES OC[C@H](c1ccc(Cl)c(F)c1)n1ccc(c(F)c1=O)-c1ccnc(NC2CCOCC2)n1
Show InChI InChI=1S/C22H21ClF2N4O3/c23-16-2-1-13(11-17(16)24)19(12-30)29-8-4-15(20(25)21(29)31)18-3-7-26-22(28-18)27-14-5-9-32-10-6-14/h1-4,7-8,11,14,19,30H,5-6,9-10,12H2,(H,26,27,28)/t19-/m1/s1
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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 US9259470 (2016)


BindingDB Entry DOI: 10.7270/Q28S4NSQ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (human))
BDBM120095
PNG
(US8697715, 39 | US9259470, 39)
Show SMILES Cn1nccc1Nc1nccc(n1)-c1ccn([C@H](CO)c2ccc(Cl)c(F)c2)c(=O)c1
Show InChI InChI=1S/C21H18ClFN6O2/c1-28-19(5-8-25-28)27-21-24-7-4-17(26-21)13-6-9-29(20(31)11-13)18(12-30)14-2-3-15(22)16(23)10-14/h2-11,18,30H,12H2,1H3,(H,24,26,27)/t18-/m1/s1
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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 US9259470 (2016)


BindingDB Entry DOI: 10.7270/Q28S4NSQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 1


(Homo sapiens (human))
BDBM120096
PNG
(US8697715, 42 | US9259470, 42)
Show SMILES OC[C@H](c1ccc(Cl)c(F)c1)n1ccc(cc1=O)-c1ccnc(N[C@@H]2C[C@@H]3C[C@H]2CO3)n1
Show InChI InChI=1S/C23H22ClFN4O3/c24-17-2-1-14(8-18(17)25)21(11-30)29-6-4-13(9-22(29)31)19-3-5-26-23(27-19)28-20-10-16-7-15(20)12-32-16/h1-6,8-9,15-16,20-21,30H,7,10-12H2,(H,26,27,28)/t15-,16-,20+,21+/m0/s1
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n/an/a 6.30n/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 US9259470 (2016)


BindingDB Entry DOI: 10.7270/Q28S4NSQ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (human))
BDBM120097
PNG
(US8697715, 50 | US9259470, 50)
Show SMILES COc1ccc(cc1F)[C@@H]([C@H]1CCCN1)n1ccc(cc1=O)-c1ccnc(NC2CCOCC2)n1
Show InChI InChI=1S/C26H30FN5O3/c1-34-23-5-4-18(15-20(23)27)25(22-3-2-10-28-22)32-12-7-17(16-24(32)33)21-6-11-29-26(31-21)30-19-8-13-35-14-9-19/h4-7,11-12,15-16,19,22,25,28H,2-3,8-10,13-14H2,1H3,(H,29,30,31)/t22-,25+/m1/s1
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n/an/a 11.5n/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 US9259470 (2016)


BindingDB Entry DOI: 10.7270/Q28S4NSQ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (human))
BDBM120098
PNG
(US8697715, 57 | US9259470, 57)
Show SMILES OC[C@H](c1cccc(Cl)c1)n1ccc(cc1=O)-c1ccnc(NC2CCOCC2)n1
Show InChI InChI=1S/C22H23ClN4O3/c23-17-3-1-2-16(12-17)20(14-28)27-9-5-15(13-21(27)29)19-4-8-24-22(26-19)25-18-6-10-30-11-7-18/h1-5,8-9,12-13,18,20,28H,6-7,10-11,14H2,(H,24,25,26)/t20-/m1/s1
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n/an/a 35.7n/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 US9259470 (2016)


BindingDB Entry DOI: 10.7270/Q28S4NSQ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (human))
BDBM120099
PNG
(US8697715, 58 | US9259470, 58)
Show SMILES C[C@@H](CO)Nc1nccc(n1)-c1ccn(C(CO)c2cccc(Cl)c2)c(=O)c1
Show InChI InChI=1S/C20H21ClN4O3/c1-13(11-26)23-20-22-7-5-17(24-20)14-6-8-25(19(28)10-14)18(12-27)15-3-2-4-16(21)9-15/h2-10,13,18,26-27H,11-12H2,1H3,(H,22,23,24)/t13-,18?/m0/s1
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n/an/a 13.9n/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 US9259470 (2016)


BindingDB Entry DOI: 10.7270/Q28S4NSQ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (human))
BDBM120100
PNG
(US8697715, 60 | US9259470, 60)
Show SMILES C[C@@H](CO)Nc1nccc(n1)-c1ccn(C(CO)c2ccc(F)c(Cl)c2)c(=O)c1
Show InChI InChI=1S/C20H20ClFN4O3/c1-12(10-27)24-20-23-6-4-17(25-20)13-5-7-26(19(29)9-13)18(11-28)14-2-3-16(22)15(21)8-14/h2-9,12,18,27-28H,10-11H2,1H3,(H,23,24,25)/t12-,18?/m0/s1
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n/an/a 53n/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 US9259470 (2016)


BindingDB Entry DOI: 10.7270/Q28S4NSQ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (human))
BDBM120101
PNG
(US8697715, 65 | US9259470, 65)
Show SMILES COC[C@@H](CO)Nc1nccc(n1)-c1ccn([C@H](CO)c2ccc(Cl)c(F)c2)c(=O)c1
Show InChI InChI=1S/C21H22ClFN4O4/c1-31-12-15(10-28)25-21-24-6-4-18(26-21)13-5-7-27(20(30)9-13)19(11-29)14-2-3-16(22)17(23)8-14/h2-9,15,19,28-29H,10-12H2,1H3,(H,24,25,26)/t15-,19-/m1/s1
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n/an/a 6.30n/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 US9259470 (2016)


BindingDB Entry DOI: 10.7270/Q28S4NSQ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (human))
BDBM120102
PNG
(US8697715, 68 | US9259470, 68)
Show SMILES Cc1cc(cc(=O)n1[C@H](CO)c1ccc(Cl)c(F)c1)-c1ccnc(NC2CCOCC2)n1
Show InChI InChI=1S/C23H24ClFN4O3/c1-14-10-16(20-4-7-26-23(28-20)27-17-5-8-32-9-6-17)12-22(31)29(14)21(13-30)15-2-3-18(24)19(25)11-15/h2-4,7,10-12,17,21,30H,5-6,8-9,13H2,1H3,(H,26,27,28)/t21-/m1/s1
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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 US9259470 (2016)


BindingDB Entry DOI: 10.7270/Q28S4NSQ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (human))
BDBM120103
PNG
(US8697715, 87 | US9259470, 87)
Show SMILES Cc1cccc(c1)C(CO)n1ccc(cc1=O)-c1ccnc(NC2CCOCC2)n1
Show InChI InChI=1S/C23H26N4O3/c1-16-3-2-4-18(13-16)21(15-28)27-10-6-17(14-22(27)29)20-5-9-24-23(26-20)25-19-7-11-30-12-8-19/h2-6,9-10,13-14,19,21,28H,7-8,11-12,15H2,1H3,(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 US9259470 (2016)


BindingDB Entry DOI: 10.7270/Q28S4NSQ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (human))
BDBM120104
PNG
(US8697715, 102 | US9259470, 102)
Show SMILES Fc1cc(ccc1Cl)C([C@@H]1CCCN1)n1ccc(cc1=O)-c1ccnc(NC2CCOCC2)n1
Show InChI InChI=1S/C25H27ClFN5O2/c26-19-4-3-17(14-20(19)27)24(22-2-1-9-28-22)32-11-6-16(15-23(32)33)21-5-10-29-25(31-21)30-18-7-12-34-13-8-18/h3-6,10-11,14-15,18,22,24,28H,1-2,7-9,12-13H2,(H,29,30,31)/t22-,24?/m0/s1
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n/an/a 39.5n/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 US9259470 (2016)


BindingDB Entry DOI: 10.7270/Q28S4NSQ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (human))
BDBM120105
PNG
(US8697715, 103 | US9259470, 103)
Show SMILES OC[C@H](c1cc(F)cc(F)c1)n1ccc(cc1=O)-c1ccnc(NC2CCOCC2)n1
Show InChI InChI=1S/C22H22F2N4O3/c23-16-9-15(10-17(24)12-16)20(13-29)28-6-2-14(11-21(28)30)19-1-5-25-22(27-19)26-18-3-7-31-8-4-18/h1-2,5-6,9-12,18,20,29H,3-4,7-8,13H2,(H,25,26,27)/t20-/m1/s1
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n/an/a 10.4n/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 US9259470 (2016)


BindingDB Entry DOI: 10.7270/Q28S4NSQ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (human))
BDBM120106
PNG
(US8697715, 109 | US9259470, 109)
Show SMILES OC[C@H](c1ccc(Cl)c(F)c1)n1ccc(cc1=O)-c1cc(NC2CCOCC2)ncn1
Show InChI InChI=1S/C22H22ClFN4O3/c23-17-2-1-15(9-18(17)24)20(12-29)28-6-3-14(10-22(28)30)19-11-21(26-13-25-19)27-16-4-7-31-8-5-16/h1-3,6,9-11,13,16,20,29H,4-5,7-8,12H2,(H,25,26,27)/t20-/m1/s1
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n/an/a 15.9n/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 US9259470 (2016)


BindingDB Entry DOI: 10.7270/Q28S4NSQ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (human))
BDBM120107
PNG
(US8697715, 120 | US9259470, 120)
Show SMILES OCC(c1cc(F)cc(Cl)c1)n1ccc(cc1=O)-c1ccnc(NC2CCOCC2)n1
Show InChI InChI=1S/C22H22ClFN4O3/c23-16-9-15(10-17(24)12-16)20(13-29)28-6-2-14(11-21(28)30)19-1-5-25-22(27-19)26-18-3-7-31-8-4-18/h1-2,5-6,9-12,18,20,29H,3-4,7-8,13H2,(H,25,26,27)
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n/an/a 3.80n/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 US9259470 (2016)


BindingDB Entry DOI: 10.7270/Q28S4NSQ
More data for this
Ligand-Target Pair
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