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PubMed code 25977981

Compile data set for download or QSAR
Found 76 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


(Homo sapiens (Human))
BDBM50094465
PNG
(CHEMBL3590106)
Show SMILES CC(C)Nc1cc(-c2c[nH]c(c2)C(=O)N[C@H](CO)c2cccc(Cl)c2)c(Cl)cn1 |r|
Show InChI InChI=1S/C19H21NO3/c21-18(23-17-11-13-20-14-12-17)19(22,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17,20,22H,11-14H2
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n/an/a<0.300n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MEK U911-activated ERK2 (unknown origin) using Erktide as substrate preincubated with enzyme for 20 mins prior to substrate addition by...


J Med Chem 58: 4790-801 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00466
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50094465
PNG
(CHEMBL3590106)
Show SMILES CC(C)Nc1cc(-c2c[nH]c(c2)C(=O)N[C@H](CO)c2cccc(Cl)c2)c(Cl)cn1 |r|
Show InChI InChI=1S/C19H21NO3/c21-18(23-17-11-13-20-14-12-17)19(22,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17,20,22H,11-14H2
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n/an/a<0.300n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MEK U911-activated ERK2 (unknown origin) using Erktide as substrate preincubated with enzyme for 20 mins prior to substrate addition by...


J Med Chem 58: 4790-801 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00466
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50094464
PNG
(CHEMBL3590107)
Show SMILES O=C(CN1CC[C@H](C1)C(=O)Nc1ccc2[nH]nc(-c3ccncc3)c2c1)N1CCN(CC1)c1ccc(cc1)-c1ncccn1 |r|
Show InChI InChI=1S/C22H27NO3/c1-2-15-23-16-13-20(14-17-23)26-21(24)22(25,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,20,25H,2,13-17H2,1H3
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n/an/a<0.300n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MEK U911-activated ERK2 (unknown origin) using Erktide as substrate preincubated with enzyme for 20 mins prior to substrate addition by...


J Med Chem 58: 4790-801 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00466
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50094464
PNG
(CHEMBL3590107)
Show SMILES O=C(CN1CC[C@H](C1)C(=O)Nc1ccc2[nH]nc(-c3ccncc3)c2c1)N1CCN(CC1)c1ccc(cc1)-c1ncccn1 |r|
Show InChI InChI=1S/C22H27NO3/c1-2-15-23-16-13-20(14-17-23)26-21(24)22(25,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,20,25H,2,13-17H2,1H3
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n/an/a<0.300n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MEK U911-activated ERK2 (unknown origin) using Erktide as substrate preincubated with enzyme for 20 mins prior to substrate addition by...


J Med Chem 58: 4790-801 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00466
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50094471
PNG
(CHEMBL3590120)
Show SMILES Clc1cnc(NC2CCOCC2)nc1Nc1ccncc1NC(=O)C=C
Show InChI InChI=1S/C22H27NO3/c1-17(2)23-15-13-20(14-16-23)26-21(24)22(25,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17,20,25H,13-16H2,1-2H3
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n/an/a 3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MEK U911-activated ERK2 (unknown origin) using Erktide as substrate preincubated with enzyme for 20 mins prior to substrate addition by...


J Med Chem 58: 4790-801 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00466
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50094471
PNG
(CHEMBL3590120)
Show SMILES Clc1cnc(NC2CCOCC2)nc1Nc1ccncc1NC(=O)C=C
Show InChI InChI=1S/C22H27NO3/c1-17(2)23-15-13-20(14-16-23)26-21(24)22(25,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17,20,25H,13-16H2,1-2H3
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n/an/a 3.10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MEK U911-activated ERK2 (unknown origin) using Erktide as substrate preincubated with enzyme for 20 mins prior to substrate addition by...


J Med Chem 58: 4790-801 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00466
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50094464
PNG
(CHEMBL3590107)
Show SMILES O=C(CN1CC[C@H](C1)C(=O)Nc1ccc2[nH]nc(-c3ccncc3)c2c1)N1CCN(CC1)c1ccc(cc1)-c1ncccn1 |r|
Show InChI InChI=1S/C22H27NO3/c1-2-15-23-16-13-20(14-17-23)26-21(24)22(25,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,20,25H,2,13-17H2,1H3
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n/an/a 4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of ERK2 in human A375 cells harboring B-RAF V600E mutant assessed as decrease in phospho-ERK2 level after 2 hrs by Cellomics ArrayScanTM V...


J Med Chem 58: 4790-801 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00466
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50094304
PNG
(CHEMBL3590118 | US9796700, Compound I-108)
Show SMILES Clc1cnc(NC2CCOCC2)nc1Nc1ccccc1NC(=O)C=C
Show InChI InChI=1S/C27H41N5O3/c28-14-6-17-29-15-4-5-16-30-18-7-19-31-27(35)25(20-23-10-12-24(33)13-11-23)32-26(34)21-22-8-2-1-3-9-22/h1-3,8-13,25,29-30,33H,4-7,14-21,28H2,(H,31,35)(H,32,34)/t25-/m0/s1
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n/an/a 5.40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MEK U911-activated ERK2 (unknown origin) using Erktide as substrate preincubated with enzyme for 20 mins prior to substrate addition by...


J Med Chem 58: 4790-801 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00466
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50094471
PNG
(CHEMBL3590120)
Show SMILES Clc1cnc(NC2CCOCC2)nc1Nc1ccncc1NC(=O)C=C
Show InChI InChI=1S/C22H27NO3/c1-17(2)23-15-13-20(14-16-23)26-21(24)22(25,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17,20,25H,13-16H2,1-2H3
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n/an/a 6.70n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of ERK2 in human A375 cells harboring B-RAF V600E mutant assessed as decrease in phospho-ERK2 level after 2 hrs by Cellomics ArrayScanTM V...


J Med Chem 58: 4790-801 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00466
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50094470
PNG
(CHEMBL3590121)
Show SMILES FC(F)(F)c1cnc(NC2CCOCC2)nc1Nc1ccccc1NC(=O)C=C
Show InChI InChI=1S/C19H20F3N5O2/c1-2-16(28)25-14-5-3-4-6-15(14)26-17-13(19(20,21)22)11-23-18(27-17)24-12-7-9-29-10-8-12/h2-6,11-12H,1,7-10H2,(H,25,28)(H2,23,24,26,27)
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n/an/a 6.90n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MEK U911-activated ERK2 (unknown origin) using Erktide as substrate preincubated with enzyme for 20 mins prior to substrate addition by...


J Med Chem 58: 4790-801 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00466
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50094312
PNG
(CHEMBL3590110)
Show SMILES C=CS(=O)(=O)Nc1ccc2[nH]nc(-c3ccncc3)c2c1
Show InChI InChI=1S/C23H39N3O5/c1-2-8-22(28)26-21(18-19-9-5-10-20(27)17-19)23(29)25-12-7-16-31-14-4-3-13-30-15-6-11-24/h5,9-10,17,21,27H,2-4,6-8,11-16,18,24H2,1H3,(H,25,29)(H,26,28)/t21-/m0/s1
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n/an/a 7.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MEK U911-activated ERK2 (unknown origin) using Erktide as substrate preincubated with enzyme for 20 mins prior to substrate addition by...


J Med Chem 58: 4790-801 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00466
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50094470
PNG
(CHEMBL3590121)
Show SMILES FC(F)(F)c1cnc(NC2CCOCC2)nc1Nc1ccccc1NC(=O)C=C
Show InChI InChI=1S/C19H20F3N5O2/c1-2-16(28)25-14-5-3-4-6-15(14)26-17-13(19(20,21)22)11-23-18(27-17)24-12-7-9-29-10-8-12/h2-6,11-12H,1,7-10H2,(H,25,28)(H2,23,24,26,27)
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n/an/a 8.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MEK U911-activated ERK2 (unknown origin) using Erktide as substrate preincubated with enzyme for 20 mins prior to substrate addition by...


J Med Chem 58: 4790-801 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00466
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50094304
PNG
(CHEMBL3590118 | US9796700, Compound I-108)
Show SMILES Clc1cnc(NC2CCOCC2)nc1Nc1ccccc1NC(=O)C=C
Show InChI InChI=1S/C27H41N5O3/c28-14-6-17-29-15-4-5-16-30-18-7-19-31-27(35)25(20-23-10-12-24(33)13-11-23)32-26(34)21-22-8-2-1-3-9-22/h1-3,8-13,25,29-30,33H,4-7,14-21,28H2,(H,31,35)(H,32,34)/t25-/m0/s1
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n/an/a 8.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MEK U911-activated ERK2 (unknown origin) using Erktide as substrate preincubated with enzyme for 20 mins prior to substrate addition by...


J Med Chem 58: 4790-801 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00466
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50094468
PNG
(CHEMBL3590123)
Show SMILES Cn1nccc1Nc1ncc(Cl)c(Nc2ccccc2NC(=O)C=C)n1
Show InChI InChI=1S/C27H28N2O5/c30-26(27(31,22-7-3-1-4-8-22)23-9-5-2-6-10-23)34-25-16-19-28(20-17-25)18-15-21-11-13-24(14-12-21)29(32)33/h1-14,25,31H,15-20H2
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n/an/a 9.90n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MEK U911-activated ERK2 (unknown origin) using Erktide as substrate preincubated with enzyme for 20 mins prior to substrate addition by...


J Med Chem 58: 4790-801 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00466
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50094468
PNG
(CHEMBL3590123)
Show SMILES Cn1nccc1Nc1ncc(Cl)c(Nc2ccccc2NC(=O)C=C)n1
Show InChI InChI=1S/C27H28N2O5/c30-26(27(31,22-7-3-1-4-8-22)23-9-5-2-6-10-23)34-25-16-19-28(20-17-25)18-15-21-11-13-24(14-12-21)29(32)33/h1-14,25,31H,15-20H2
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n/an/a 13n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MEK U911-activated ERK2 (unknown origin) using Erktide as substrate preincubated with enzyme for 20 mins prior to substrate addition by...


J Med Chem 58: 4790-801 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00466
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50094312
PNG
(CHEMBL3590110)
Show SMILES C=CS(=O)(=O)Nc1ccc2[nH]nc(-c3ccncc3)c2c1
Show InChI InChI=1S/C23H39N3O5/c1-2-8-22(28)26-21(18-19-9-5-10-20(27)17-19)23(29)25-12-7-16-31-14-4-3-13-30-15-6-11-24/h5,9-10,17,21,27H,2-4,6-8,11-16,18,24H2,1H3,(H,25,29)(H,26,28)/t21-/m0/s1
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n/an/a 17n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MEK U911-activated ERK2 (unknown origin) using Erktide as substrate preincubated with enzyme for 20 mins prior to substrate addition by...


J Med Chem 58: 4790-801 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00466
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50094304
PNG
(CHEMBL3590118 | US9796700, Compound I-108)
Show SMILES Clc1cnc(NC2CCOCC2)nc1Nc1ccccc1NC(=O)C=C
Show InChI InChI=1S/C27H41N5O3/c28-14-6-17-29-15-4-5-16-30-18-7-19-31-27(35)25(20-23-10-12-24(33)13-11-23)32-26(34)21-22-8-2-1-3-9-22/h1-3,8-13,25,29-30,33H,4-7,14-21,28H2,(H,31,35)(H,32,34)/t25-/m0/s1
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n/an/a 19n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of ERK2 in human A375 cells harboring B-RAF V600E mutant assessed as decrease in phospho-ERK2 level after 2 hrs by Cellomics ArrayScanTM V...


J Med Chem 58: 4790-801 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00466
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50094470
PNG
(CHEMBL3590121)
Show SMILES FC(F)(F)c1cnc(NC2CCOCC2)nc1Nc1ccccc1NC(=O)C=C
Show InChI InChI=1S/C19H20F3N5O2/c1-2-16(28)25-14-5-3-4-6-15(14)26-17-13(19(20,21)22)11-23-18(27-17)24-12-7-9-29-10-8-12/h2-6,11-12H,1,7-10H2,(H,25,28)(H2,23,24,26,27)
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n/an/a 22n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of ERK2 in human A375 cells harboring B-RAF V600E mutant assessed as decrease in phospho-ERK2 level after 2 hrs by Cellomics ArrayScanTM V...


J Med Chem 58: 4790-801 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00466
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50094466
PNG
(CHEMBL3590125)
Show SMILES Cc1cnc(Nc2ccnn2C)nc1Nc1ccccc1NC(=O)C=C
Show InChI InChI=1S/C18H19N7O/c1-4-16(26)21-13-7-5-6-8-14(13)22-17-12(2)11-19-18(24-17)23-15-9-10-20-25(15)3/h4-11H,1H2,2-3H3,(H,21,26)(H2,19,22,23,24)
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n/an/a 39n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MEK U911-activated ERK2 (unknown origin) using Erktide as substrate preincubated with enzyme for 20 mins prior to substrate addition by...


J Med Chem 58: 4790-801 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00466
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50094306
PNG
(CHEMBL3590116)
Show SMILES CNC(=O)c1ccc(F)cc1Nc1cc(NC2CCOCC2)ncc1C(F)(F)F
Show InChI InChI=1S/C29H49N3O3/c30-20-12-7-5-3-1-2-4-6-8-13-21-31-29(35)27(22-25-16-18-26(33)19-17-25)32-28(34)23-24-14-10-9-11-15-24/h16-19,24,27,33H,1-15,20-23,30H2,(H,31,35)(H,32,34)/t27-/m0/s1
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n/an/a 40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MEK U911-activated ERK2 (unknown origin) using Erktide as substrate preincubated with enzyme for 20 mins prior to substrate addition by...


J Med Chem 58: 4790-801 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00466
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50094305
PNG
(CHEMBL3590117)
Show SMILES Clc1cnc(NC2CCOCC2)cc1Nc1ccccc1NC(=O)C=C
Show InChI InChI=1S/C23H39N3O5/c1-2-7-22(28)26-21(18-19-8-10-20(27)11-9-19)23(29)25-13-6-17-31-15-4-3-14-30-16-5-12-24/h8-11,21,27H,2-7,12-18,24H2,1H3,(H,25,29)(H,26,28)/t21-/m0/s1
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n/an/a 42n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MEK U911-activated ERK2 (unknown origin) using Erktide as substrate preincubated with enzyme for 20 mins prior to substrate addition by...


J Med Chem 58: 4790-801 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00466
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50094308
PNG
(CHEMBL3590114)
Show SMILES CNC(=O)c1ccc(F)cc1Nc1cc(Nc2cc(C)nn2C)ncc1C(F)(F)F
Show InChI InChI=1S/C23H41N5O3/c1-2-8-22(30)28-21(18-19-9-5-10-20(29)17-19)23(31)27-16-7-15-26-13-4-3-12-25-14-6-11-24/h5,9-10,17,21,25-26,29H,2-4,6-8,11-16,18,24H2,1H3,(H,27,31)(H,28,30)/t21-/m0/s1
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n/an/a 44n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MEK U911-activated ERK2 (unknown origin) using Erktide as substrate preincubated with enzyme for 20 mins prior to substrate addition by...


J Med Chem 58: 4790-801 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00466
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50094466
PNG
(CHEMBL3590125)
Show SMILES Cc1cnc(Nc2ccnn2C)nc1Nc1ccccc1NC(=O)C=C
Show InChI InChI=1S/C18H19N7O/c1-4-16(26)21-13-7-5-6-8-14(13)22-17-12(2)11-19-18(24-17)23-15-9-10-20-25(15)3/h4-11H,1H2,2-3H3,(H,21,26)(H2,19,22,23,24)
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n/an/a 47n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MEK U911-activated ERK2 (unknown origin) using Erktide as substrate preincubated with enzyme for 20 mins prior to substrate addition by...


J Med Chem 58: 4790-801 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00466
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50094468
PNG
(CHEMBL3590123)
Show SMILES Cn1nccc1Nc1ncc(Cl)c(Nc2ccccc2NC(=O)C=C)n1
Show InChI InChI=1S/C27H28N2O5/c30-26(27(31,22-7-3-1-4-8-22)23-9-5-2-6-10-23)34-25-16-19-28(20-17-25)18-15-21-11-13-24(14-12-21)29(32)33/h1-14,25,31H,15-20H2
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n/an/a 48n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of ERK2 in human A375 cells harboring B-RAF V600E mutant assessed as decrease in phospho-ERK2 level after 2 hrs by Cellomics ArrayScanTM V...


J Med Chem 58: 4790-801 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00466
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50094305
PNG
(CHEMBL3590117)
Show SMILES Clc1cnc(NC2CCOCC2)cc1Nc1ccccc1NC(=O)C=C
Show InChI InChI=1S/C23H39N3O5/c1-2-7-22(28)26-21(18-19-8-10-20(27)11-9-19)23(29)25-13-6-17-31-15-4-3-14-30-16-5-12-24/h8-11,21,27H,2-7,12-18,24H2,1H3,(H,25,29)(H,26,28)/t21-/m0/s1
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n/an/a 60n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MEK U911-activated ERK2 (unknown origin) using Erktide as substrate preincubated with enzyme for 20 mins prior to substrate addition by...


J Med Chem 58: 4790-801 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00466
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50094466
PNG
(CHEMBL3590125)
Show SMILES Cc1cnc(Nc2ccnn2C)nc1Nc1ccccc1NC(=O)C=C
Show InChI InChI=1S/C18H19N7O/c1-4-16(26)21-13-7-5-6-8-14(13)22-17-12(2)11-19-18(24-17)23-15-9-10-20-25(15)3/h4-11H,1H2,2-3H3,(H,21,26)(H2,19,22,23,24)
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n/an/a 66n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of ERK2 in human A375 cells harboring B-RAF V600E mutant assessed as decrease in phospho-ERK2 level after 2 hrs by Cellomics ArrayScanTM V...


J Med Chem 58: 4790-801 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00466
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50094467
PNG
(CHEMBL3590124)
Show SMILES CN(C)[C@H]1CC[C@@H](CC1)Nc1ncc(Cl)c(Nc2ccccc2NC(=O)C=C)n1 |r,wU:3.2,wD:6.9,(-7.99,-2.79,;-8,-1.56,;-9.07,-.95,;-6.67,-.78,;-6.67,.76,;-5.34,1.53,;-4,.77,;-4,-.77,;-5.33,-1.55,;-2.67,1.54,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;2.4,-1.39,;,-1.54,;-0,-3.08,;-1.34,-3.85,;-2.67,-3.07,;-4.01,-3.84,;-4.01,-5.38,;-2.68,-6.15,;-1.34,-5.39,;-.01,-6.17,;-.02,-7.71,;-1.09,-8.32,;1.31,-8.49,;1.3,-9.72,;-1.33,-.77,)|
Show InChI InChI=1/C21H27ClN6O/c1-4-19(29)25-17-7-5-6-8-18(17)26-20-16(22)13-23-21(27-20)24-14-9-11-15(12-10-14)28(2)3/h4-8,13-15H,1,9-12H2,2-3H3,(H,25,29)(H2,23,24,26,27)/t14-,15-
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n/an/a 72n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of ERK2 in human A375 cells harboring B-RAF V600E mutant assessed as decrease in phospho-ERK2 level after 2 hrs by Cellomics ArrayScanTM V...


J Med Chem 58: 4790-801 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00466
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50094311
PNG
(CHEMBL3590111)
Show SMILES Cc1cc(ccn1)-c1n[nH]c2CCN(Cc12)S(=O)(=O)C=C
Show InChI InChI=1S/C29H43N3O3/c30-20-12-7-5-3-1-2-4-6-8-13-21-31-29(35)27(22-25-16-18-26(33)19-17-25)32-28(34)23-24-14-10-9-11-15-24/h9-11,14-19,27,33H,1-8,12-13,20-23,30H2,(H,31,35)(H,32,34)/t27-/m0/s1
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n/an/a 74n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MEK U911-activated ERK2 (unknown origin) using Erktide as substrate preincubated with enzyme for 20 mins prior to substrate addition by...


J Med Chem 58: 4790-801 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00466
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50094469
PNG
(CHEMBL3590122)
Show SMILES Cc1cnc(NC2CCOCC2)nc1Nc1ccccc1NC(=O)C=C
Show InChI InChI=1S/C19H23N5O2/c1-3-17(25)22-15-6-4-5-7-16(15)23-18-13(2)12-20-19(24-18)21-14-8-10-26-11-9-14/h3-7,12,14H,1,8-11H2,2H3,(H,22,25)(H2,20,21,23,24)
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n/an/a 77n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MEK U911-activated ERK2 (unknown origin) using Erktide as substrate preincubated with enzyme for 20 mins prior to substrate addition by...


J Med Chem 58: 4790-801 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00466
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50094467
PNG
(CHEMBL3590124)
Show SMILES CN(C)[C@H]1CC[C@@H](CC1)Nc1ncc(Cl)c(Nc2ccccc2NC(=O)C=C)n1 |r,wU:3.2,wD:6.9,(-7.99,-2.79,;-8,-1.56,;-9.07,-.95,;-6.67,-.78,;-6.67,.76,;-5.34,1.53,;-4,.77,;-4,-.77,;-5.33,-1.55,;-2.67,1.54,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;2.4,-1.39,;,-1.54,;-0,-3.08,;-1.34,-3.85,;-2.67,-3.07,;-4.01,-3.84,;-4.01,-5.38,;-2.68,-6.15,;-1.34,-5.39,;-.01,-6.17,;-.02,-7.71,;-1.09,-8.32,;1.31,-8.49,;1.3,-9.72,;-1.33,-.77,)|
Show InChI InChI=1/C21H27ClN6O/c1-4-19(29)25-17-7-5-6-8-18(17)26-20-16(22)13-23-21(27-20)24-14-9-11-15(12-10-14)28(2)3/h4-8,13-15H,1,9-12H2,2-3H3,(H,25,29)(H2,23,24,26,27)/t14-,15-
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n/an/a 85n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MEK U911-activated ERK2 (unknown origin) using Erktide as substrate preincubated with enzyme for 20 mins prior to substrate addition by...


J Med Chem 58: 4790-801 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00466
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50094469
PNG
(CHEMBL3590122)
Show SMILES Cc1cnc(NC2CCOCC2)nc1Nc1ccccc1NC(=O)C=C
Show InChI InChI=1S/C19H23N5O2/c1-3-17(25)22-15-6-4-5-7-16(15)23-18-13(2)12-20-19(24-18)21-14-8-10-26-11-9-14/h3-7,12,14H,1,8-11H2,2H3,(H,22,25)(H2,20,21,23,24)
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n/an/a 88n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MEK U911-activated ERK2 (unknown origin) using Erktide as substrate preincubated with enzyme for 20 mins prior to substrate addition by...


J Med Chem 58: 4790-801 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00466
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50094467
PNG
(CHEMBL3590124)
Show SMILES CN(C)[C@H]1CC[C@@H](CC1)Nc1ncc(Cl)c(Nc2ccccc2NC(=O)C=C)n1 |r,wU:3.2,wD:6.9,(-7.99,-2.79,;-8,-1.56,;-9.07,-.95,;-6.67,-.78,;-6.67,.76,;-5.34,1.53,;-4,.77,;-4,-.77,;-5.33,-1.55,;-2.67,1.54,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;2.4,-1.39,;,-1.54,;-0,-3.08,;-1.34,-3.85,;-2.67,-3.07,;-4.01,-3.84,;-4.01,-5.38,;-2.68,-6.15,;-1.34,-5.39,;-.01,-6.17,;-.02,-7.71,;-1.09,-8.32,;1.31,-8.49,;1.3,-9.72,;-1.33,-.77,)|
Show InChI InChI=1/C21H27ClN6O/c1-4-19(29)25-17-7-5-6-8-18(17)26-20-16(22)13-23-21(27-20)24-14-9-11-15(12-10-14)28(2)3/h4-8,13-15H,1,9-12H2,2-3H3,(H,25,29)(H2,23,24,26,27)/t14-,15-
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n/an/a 90n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MEK U911-activated ERK2 (unknown origin) using Erktide as substrate preincubated with enzyme for 20 mins prior to substrate addition by...


J Med Chem 58: 4790-801 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00466
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50094311
PNG
(CHEMBL3590111)
Show SMILES Cc1cc(ccn1)-c1n[nH]c2CCN(Cc12)S(=O)(=O)C=C
Show InChI InChI=1S/C29H43N3O3/c30-20-12-7-5-3-1-2-4-6-8-13-21-31-29(35)27(22-25-16-18-26(33)19-17-25)32-28(34)23-24-14-10-9-11-15-24/h9-11,14-19,27,33H,1-8,12-13,20-23,30H2,(H,31,35)(H,32,34)/t27-/m0/s1
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n/an/a 110n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MEK U911-activated ERK2 (unknown origin) using Erktide as substrate preincubated with enzyme for 20 mins prior to substrate addition by...


J Med Chem 58: 4790-801 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00466
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50094312
PNG
(CHEMBL3590110)
Show SMILES C=CS(=O)(=O)Nc1ccc2[nH]nc(-c3ccncc3)c2c1
Show InChI InChI=1S/C23H39N3O5/c1-2-8-22(28)26-21(18-19-9-5-10-20(27)17-19)23(29)25-12-7-16-31-14-4-3-13-30-15-6-11-24/h5,9-10,17,21,27H,2-4,6-8,11-16,18,24H2,1H3,(H,25,29)(H,26,28)/t21-/m0/s1
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n/an/a 120n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of ERK2 in human A375 cells harboring B-RAF V600E mutant assessed as decrease in phospho-ERK2 level after 2 hrs by Cellomics ArrayScanTM V...


J Med Chem 58: 4790-801 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00466
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50094305
PNG
(CHEMBL3590117)
Show SMILES Clc1cnc(NC2CCOCC2)cc1Nc1ccccc1NC(=O)C=C
Show InChI InChI=1S/C23H39N3O5/c1-2-7-22(28)26-21(18-19-8-10-20(27)11-9-19)23(29)25-13-6-17-31-15-4-3-14-30-16-5-12-24/h8-11,21,27H,2-7,12-18,24H2,1H3,(H,25,29)(H,26,28)/t21-/m0/s1
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n/an/a 120n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of ERK2 in human A375 cells harboring B-RAF V600E mutant assessed as decrease in phospho-ERK2 level after 2 hrs by Cellomics ArrayScanTM V...


J Med Chem 58: 4790-801 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00466
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50094468
PNG
(CHEMBL3590123)
Show SMILES Cn1nccc1Nc1ncc(Cl)c(Nc2ccccc2NC(=O)C=C)n1
Show InChI InChI=1S/C27H28N2O5/c30-26(27(31,22-7-3-1-4-8-22)23-9-5-2-6-10-23)34-25-16-19-28(20-17-25)18-15-21-11-13-24(14-12-21)29(32)33/h1-14,25,31H,15-20H2
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n/an/a 120n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MEK1 (unknown origin) autophosphorylation incubated with enzyme for 20 mins prior to ATP addition by ADP Glo kinase assay in presence o...


J Med Chem 58: 4790-801 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00466
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50094469
PNG
(CHEMBL3590122)
Show SMILES Cc1cnc(NC2CCOCC2)nc1Nc1ccccc1NC(=O)C=C
Show InChI InChI=1S/C19H23N5O2/c1-3-17(25)22-15-6-4-5-7-16(15)23-18-13(2)12-20-19(24-18)21-14-8-10-26-11-9-14/h3-7,12,14H,1,8-11H2,2H3,(H,22,25)(H2,20,21,23,24)
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n/an/a 170n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of ERK2 in human A375 cells harboring B-RAF V600E mutant assessed as decrease in phospho-ERK2 level after 2 hrs by Cellomics ArrayScanTM V...


J Med Chem 58: 4790-801 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00466
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50094313
PNG
(CHEMBL3590109)
Show SMILES C=CS(=O)(=O)N1CCc2cnc(NC3CCOCC3)nc2C1
Show InChI InChI=1S/C27H39N3O5/c28-14-6-18-34-16-4-5-17-35-19-7-15-29-27(33)25(20-23-10-12-24(31)13-11-23)30-26(32)21-22-8-2-1-3-9-22/h1-3,8-13,25,31H,4-7,14-21,28H2,(H,29,33)(H,30,32)/t25-/m0/s1
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n/an/a 220n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MEK U911-activated ERK2 (unknown origin) using Erktide as substrate preincubated with enzyme for 20 mins prior to substrate addition by...


J Med Chem 58: 4790-801 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00466
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50094313
PNG
(CHEMBL3590109)
Show SMILES C=CS(=O)(=O)N1CCc2cnc(NC3CCOCC3)nc2C1
Show InChI InChI=1S/C27H39N3O5/c28-14-6-18-34-16-4-5-17-35-19-7-15-29-27(33)25(20-23-10-12-24(31)13-11-23)30-26(32)21-22-8-2-1-3-9-22/h1-3,8-13,25,31H,4-7,14-21,28H2,(H,29,33)(H,30,32)/t25-/m0/s1
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n/an/a 240n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of ERK2 in human A375 cells harboring B-RAF V600E mutant assessed as decrease in phospho-ERK2 level after 2 hrs by Cellomics ArrayScanTM V...


J Med Chem 58: 4790-801 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00466
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50094307
PNG
(CHEMBL3590115)
Show SMILES CNC(=O)c1ccccc1Nc1cc(NC2CCOCC2)ncc1Cl
Show InChI InChI=1S/C27H45N3O5/c28-14-6-18-34-16-4-5-17-35-19-7-15-29-27(33)25(20-23-10-12-24(31)13-11-23)30-26(32)21-22-8-2-1-3-9-22/h10-13,22,25,31H,1-9,14-21,28H2,(H,29,33)(H,30,32)/t25-/m0/s1
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n/an/a 260n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MEK U911-activated ERK2 (unknown origin) using Erktide as substrate preincubated with enzyme for 20 mins prior to substrate addition by...


J Med Chem 58: 4790-801 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00466
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50094466
PNG
(CHEMBL3590125)
Show SMILES Cc1cnc(Nc2ccnn2C)nc1Nc1ccccc1NC(=O)C=C
Show InChI InChI=1S/C18H19N7O/c1-4-16(26)21-13-7-5-6-8-14(13)22-17-12(2)11-19-18(24-17)23-15-9-10-20-25(15)3/h4-11H,1H2,2-3H3,(H,21,26)(H2,19,22,23,24)
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n/an/a 260n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MEK1 (unknown origin) autophosphorylation incubated with enzyme for 20 mins prior to ATP addition by ADP Glo kinase assay in presence o...


J Med Chem 58: 4790-801 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00466
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50094309
PNG
(CHEMBL3590113)
Show SMILES CCS(=O)(=O)Nc1ccc2[nH]nc(-c3ccncc3)c2c1
Show InChI InChI=1S/C27H41N5O3/c28-13-7-16-29-14-4-5-15-30-17-8-18-31-27(35)25(20-23-11-6-12-24(33)19-23)32-26(34)21-22-9-2-1-3-10-22/h1-3,6,9-12,19,25,29-30,33H,4-5,7-8,13-18,20-21,28H2,(H,31,35)(H,32,34)/t25-/m0/s1
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n/an/a 280n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MEK U911-activated ERK2 (unknown origin) using Erktide as substrate preincubated with enzyme for 20 mins prior to substrate addition by...


J Med Chem 58: 4790-801 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00466
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50094308
PNG
(CHEMBL3590114)
Show SMILES CNC(=O)c1ccc(F)cc1Nc1cc(Nc2cc(C)nn2C)ncc1C(F)(F)F
Show InChI InChI=1S/C23H41N5O3/c1-2-8-22(30)28-21(18-19-9-5-10-20(29)17-19)23(31)27-16-7-15-26-13-4-3-12-25-14-6-11-24/h5,9-10,17,21,25-26,29H,2-4,6-8,11-16,18,24H2,1H3,(H,27,31)(H,28,30)/t21-/m0/s1
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n/an/a 340n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MEK U911-activated ERK2 (unknown origin) using Erktide as substrate preincubated with enzyme for 20 mins prior to substrate addition by...


J Med Chem 58: 4790-801 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00466
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50094313
PNG
(CHEMBL3590109)
Show SMILES C=CS(=O)(=O)N1CCc2cnc(NC3CCOCC3)nc2C1
Show InChI InChI=1S/C27H39N3O5/c28-14-6-18-34-16-4-5-17-35-19-7-15-29-27(33)25(20-23-10-12-24(31)13-11-23)30-26(32)21-22-8-2-1-3-9-22/h1-3,8-13,25,31H,4-7,14-21,28H2,(H,29,33)(H,30,32)/t25-/m0/s1
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n/an/a 370n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MEK U911-activated ERK2 (unknown origin) using Erktide as substrate preincubated with enzyme for 20 mins prior to substrate addition by...


J Med Chem 58: 4790-801 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00466
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50094306
PNG
(CHEMBL3590116)
Show SMILES CNC(=O)c1ccc(F)cc1Nc1cc(NC2CCOCC2)ncc1C(F)(F)F
Show InChI InChI=1S/C29H49N3O3/c30-20-12-7-5-3-1-2-4-6-8-13-21-31-29(35)27(22-25-16-18-26(33)19-17-25)32-28(34)23-24-14-10-9-11-15-24/h16-19,24,27,33H,1-15,20-23,30H2,(H,31,35)(H,32,34)/t27-/m0/s1
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n/an/a 380n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MEK U911-activated ERK2 (unknown origin) using Erktide as substrate preincubated with enzyme for 20 mins prior to substrate addition by...


J Med Chem 58: 4790-801 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00466
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50094311
PNG
(CHEMBL3590111)
Show SMILES Cc1cc(ccn1)-c1n[nH]c2CCN(Cc12)S(=O)(=O)C=C
Show InChI InChI=1S/C29H43N3O3/c30-20-12-7-5-3-1-2-4-6-8-13-21-31-29(35)27(22-25-16-18-26(33)19-17-25)32-28(34)23-24-14-10-9-11-15-24/h9-11,14-19,27,33H,1-8,12-13,20-23,30H2,(H,31,35)(H,32,34)/t27-/m0/s1
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n/an/a 380n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of ERK2 in human A375 cells harboring B-RAF V600E mutant assessed as decrease in phospho-ERK2 level after 2 hrs by Cellomics ArrayScanTM V...


J Med Chem 58: 4790-801 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00466
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50094472
PNG
(CHEMBL3590119)
Show SMILES CCC(=O)Nc1ccccc1Nc1nc(NC2CCOCC2)ncc1Cl
Show InChI InChI=1S/C26H26FNO3/c27-23-13-11-20(12-14-23)19-28-17-15-24(16-18-28)31-25(29)26(30,21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-14,24,30H,15-19H2
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n/an/a 480n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MEK U911-activated ERK2 (unknown origin) using Erktide as substrate preincubated with enzyme for 20 mins prior to substrate addition by...


J Med Chem 58: 4790-801 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00466
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50094313
PNG
(CHEMBL3590109)
Show SMILES C=CS(=O)(=O)N1CCc2cnc(NC3CCOCC3)nc2C1
Show InChI InChI=1S/C27H39N3O5/c28-14-6-18-34-16-4-5-17-35-19-7-15-29-27(33)25(20-23-10-12-24(31)13-11-23)30-26(32)21-22-8-2-1-3-9-22/h1-3,8-13,25,31H,4-7,14-21,28H2,(H,29,33)(H,30,32)/t25-/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MEK1 (unknown origin) autophosphorylation incubated with enzyme for 20 mins prior to ATP addition by ADP Glo kinase assay in presence o...


J Med Chem 58: 4790-801 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00466
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50094314
PNG
(CHEMBL3590108)
Show SMILES COc1cc(O)c2c(c1)\C=C\C[C@H](O)[C@@H](O)C(=O)\C=C\C[C@H](C)OC2=O |r,t:10,19|
Show InChI InChI=1S/C25H43N3O3/c1-2-14-24(30)28-23(20-21-15-13-16-22(29)19-21)25(31)27-18-12-10-8-6-4-3-5-7-9-11-17-26/h13,15-16,19,23,29H,2-12,14,17-18,20,26H2,1H3,(H,27,31)(H,28,30)/t23-/m0/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of ERK2 in human A375 cells harboring B-RAF V600E mutant assessed as decrease in phospho-ERK2 level after 2 hrs by Cellomics ArrayScanTM V...


J Med Chem 58: 4790-801 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00466
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50094309
PNG
(CHEMBL3590113)
Show SMILES CCS(=O)(=O)Nc1ccc2[nH]nc(-c3ccncc3)c2c1
Show InChI InChI=1S/C27H41N5O3/c28-13-7-16-29-14-4-5-15-30-17-8-18-31-27(35)25(20-23-11-6-12-24(33)19-23)32-26(34)21-22-9-2-1-3-10-22/h1-3,6,9-12,19,25,29-30,33H,4-5,7-8,13-18,20-21,28H2,(H,31,35)(H,32,34)/t25-/m0/s1
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n/an/a 1.80E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MEK U911-activated ERK2 (unknown origin) using Erktide as substrate preincubated with enzyme for 20 mins prior to substrate addition by...


J Med Chem 58: 4790-801 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00466
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50094306
PNG
(CHEMBL3590116)
Show SMILES CNC(=O)c1ccc(F)cc1Nc1cc(NC2CCOCC2)ncc1C(F)(F)F
Show InChI InChI=1S/C29H49N3O3/c30-20-12-7-5-3-1-2-4-6-8-13-21-31-29(35)27(22-25-16-18-26(33)19-17-25)32-28(34)23-24-14-10-9-11-15-24/h16-19,24,27,33H,1-15,20-23,30H2,(H,31,35)(H,32,34)/t27-/m0/s1
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n/an/a 2.10E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of ERK2 in human A375 cells harboring B-RAF V600E mutant assessed as decrease in phospho-ERK2 level after 2 hrs by Cellomics ArrayScanTM V...


J Med Chem 58: 4790-801 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00466
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50094314
PNG
(CHEMBL3590108)
Show SMILES COc1cc(O)c2c(c1)\C=C\C[C@H](O)[C@@H](O)C(=O)\C=C\C[C@H](C)OC2=O |r,t:10,19|
Show InChI InChI=1S/C25H43N3O3/c1-2-14-24(30)28-23(20-21-15-13-16-22(29)19-21)25(31)27-18-12-10-8-6-4-3-5-7-9-11-17-26/h13,15-16,19,23,29H,2-12,14,17-18,20,26H2,1H3,(H,27,31)(H,28,30)/t23-/m0/s1
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n/an/a 3.40E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MEK1 (unknown origin) autophosphorylation incubated with enzyme for 20 mins prior to ATP addition by ADP Glo kinase assay in presence o...


J Med Chem 58: 4790-801 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00466
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50094314
PNG
(CHEMBL3590108)
Show SMILES COc1cc(O)c2c(c1)\C=C\C[C@H](O)[C@@H](O)C(=O)\C=C\C[C@H](C)OC2=O |r,t:10,19|
Show InChI InChI=1S/C25H43N3O3/c1-2-14-24(30)28-23(20-21-15-13-16-22(29)19-21)25(31)27-18-12-10-8-6-4-3-5-7-9-11-17-26/h13,15-16,19,23,29H,2-12,14,17-18,20,26H2,1H3,(H,27,31)(H,28,30)/t23-/m0/s1
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n/an/a 3.70E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MEK U911-activated ERK2 (unknown origin) using Erktide as substrate preincubated with enzyme for 20 mins prior to substrate addition by...


J Med Chem 58: 4790-801 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00466
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50094472
PNG
(CHEMBL3590119)
Show SMILES CCC(=O)Nc1ccccc1Nc1nc(NC2CCOCC2)ncc1Cl
Show InChI InChI=1S/C26H26FNO3/c27-23-13-11-20(12-14-23)19-28-17-15-24(16-18-28)31-25(29)26(30,21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-14,24,30H,15-19H2
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n/an/a 4.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MEK U911-activated ERK2 (unknown origin) using Erktide as substrate preincubated with enzyme for 20 mins prior to substrate addition by...


J Med Chem 58: 4790-801 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00466
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50094465
PNG
(CHEMBL3590106)
Show SMILES CC(C)Nc1cc(-c2c[nH]c(c2)C(=O)N[C@H](CO)c2cccc(Cl)c2)c(Cl)cn1 |r|
Show InChI InChI=1S/C19H21NO3/c21-18(23-17-11-13-20-14-12-17)19(22,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17,20,22H,11-14H2
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n/an/a 4.10E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of ERK2 in human A375 cells harboring B-RAF V600E mutant assessed as decrease in phospho-ERK2 level after 2 hrs by Cellomics ArrayScanTM V...


J Med Chem 58: 4790-801 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00466
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50094311
PNG
(CHEMBL3590111)
Show SMILES Cc1cc(ccn1)-c1n[nH]c2CCN(Cc12)S(=O)(=O)C=C
Show InChI InChI=1S/C29H43N3O3/c30-20-12-7-5-3-1-2-4-6-8-13-21-31-29(35)27(22-25-16-18-26(33)19-17-25)32-28(34)23-24-14-10-9-11-15-24/h9-11,14-19,27,33H,1-8,12-13,20-23,30H2,(H,31,35)(H,32,34)/t27-/m0/s1
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n/an/a 4.90E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MEK1 (unknown origin) autophosphorylation incubated with enzyme for 20 mins prior to ATP addition by ADP Glo kinase assay in presence o...


J Med Chem 58: 4790-801 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00466
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50094314
PNG
(CHEMBL3590108)
Show SMILES COc1cc(O)c2c(c1)\C=C\C[C@H](O)[C@@H](O)C(=O)\C=C\C[C@H](C)OC2=O |r,t:10,19|
Show InChI InChI=1S/C25H43N3O3/c1-2-14-24(30)28-23(20-21-15-13-16-22(29)19-21)25(31)27-18-12-10-8-6-4-3-5-7-9-11-17-26/h13,15-16,19,23,29H,2-12,14,17-18,20,26H2,1H3,(H,27,31)(H,28,30)/t23-/m0/s1
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n/an/a 5.10E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MEK U911-activated ERK2 (unknown origin) using Erktide as substrate preincubated with enzyme for 20 mins prior to substrate addition by...


J Med Chem 58: 4790-801 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00466
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50094307
PNG
(CHEMBL3590115)
Show SMILES CNC(=O)c1ccccc1Nc1cc(NC2CCOCC2)ncc1Cl
Show InChI InChI=1S/C27H45N3O5/c28-14-6-18-34-16-4-5-17-35-19-7-15-29-27(33)25(20-23-10-12-24(31)13-11-23)30-26(32)21-22-8-2-1-3-9-22/h10-13,22,25,31H,1-9,14-21,28H2,(H,29,33)(H,30,32)/t25-/m0/s1
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n/an/a 7.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of ERK2 in human A375 cells harboring B-RAF V600E mutant assessed as decrease in phospho-ERK2 level after 2 hrs by Cellomics ArrayScanTM V...


J Med Chem 58: 4790-801 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00466
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50094308
PNG
(CHEMBL3590114)
Show SMILES CNC(=O)c1ccc(F)cc1Nc1cc(Nc2cc(C)nn2C)ncc1C(F)(F)F
Show InChI InChI=1S/C23H41N5O3/c1-2-8-22(30)28-21(18-19-9-5-10-20(29)17-19)23(31)27-16-7-15-26-13-4-3-12-25-14-6-11-24/h5,9-10,17,21,25-26,29H,2-4,6-8,11-16,18,24H2,1H3,(H,27,31)(H,28,30)/t21-/m0/s1
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n/an/a 8.70E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of ERK2 in human A375 cells harboring B-RAF V600E mutant assessed as decrease in phospho-ERK2 level after 2 hrs by Cellomics ArrayScanTM V...


J Med Chem 58: 4790-801 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00466
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50094310
PNG
(CHEMBL3590112)
Show SMILES CCS(=O)(=O)N1CCc2cnc(NC3CCOCC3)nc2C1
Show InChI InChI=1S/C29H43N3O3/c30-19-12-7-5-3-1-2-4-6-8-13-20-31-29(35)27(22-25-17-14-18-26(33)21-25)32-28(34)23-24-15-10-9-11-16-24/h9-11,14-18,21,27,33H,1-8,12-13,19-20,22-23,30H2,(H,31,35)(H,32,34)/t27-/m0/s1
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n/an/a 9.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MEK U911-activated ERK2 (unknown origin) using Erktide as substrate preincubated with enzyme for 20 mins prior to substrate addition by...


J Med Chem 58: 4790-801 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00466
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50094305
PNG
(CHEMBL3590117)
Show SMILES Clc1cnc(NC2CCOCC2)cc1Nc1ccccc1NC(=O)C=C
Show InChI InChI=1S/C23H39N3O5/c1-2-7-22(28)26-21(18-19-8-10-20(27)11-9-19)23(29)25-13-6-17-31-15-4-3-14-30-16-5-12-24/h8-11,21,27H,2-7,12-18,24H2,1H3,(H,25,29)(H,26,28)/t21-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MEK1 (unknown origin) autophosphorylation incubated with enzyme for 20 mins prior to ATP addition by ADP Glo kinase assay in presence o...


J Med Chem 58: 4790-801 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00466
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50094471
PNG
(CHEMBL3590120)
Show SMILES Clc1cnc(NC2CCOCC2)nc1Nc1ccncc1NC(=O)C=C
Show InChI InChI=1S/C22H27NO3/c1-17(2)23-15-13-20(14-16-23)26-21(24)22(25,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17,20,25H,13-16H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MEK1 (unknown origin) autophosphorylation incubated with enzyme for 20 mins prior to ATP addition by ADP Glo kinase assay in presence o...


J Med Chem 58: 4790-801 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00466
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50094464
PNG
(CHEMBL3590107)
Show SMILES O=C(CN1CC[C@H](C1)C(=O)Nc1ccc2[nH]nc(-c3ccncc3)c2c1)N1CCN(CC1)c1ccc(cc1)-c1ncccn1 |r|
Show InChI InChI=1S/C22H27NO3/c1-2-15-23-16-13-20(14-17-23)26-21(24)22(25,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,20,25H,2,13-17H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MEK1 (unknown origin) autophosphorylation incubated with enzyme for 20 mins prior to ATP addition by ADP Glo kinase assay in presence o...


J Med Chem 58: 4790-801 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00466
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50094304
PNG
(CHEMBL3590118 | US9796700, Compound I-108)
Show SMILES Clc1cnc(NC2CCOCC2)nc1Nc1ccccc1NC(=O)C=C
Show InChI InChI=1S/C27H41N5O3/c28-14-6-17-29-15-4-5-16-30-18-7-19-31-27(35)25(20-23-10-12-24(33)13-11-23)32-26(34)21-22-8-2-1-3-9-22/h1-3,8-13,25,29-30,33H,4-7,14-21,28H2,(H,31,35)(H,32,34)/t25-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MEK1 (unknown origin) autophosphorylation incubated with enzyme for 20 mins prior to ATP addition by ADP Glo kinase assay in presence o...


J Med Chem 58: 4790-801 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00466
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50094308
PNG
(CHEMBL3590114)
Show SMILES CNC(=O)c1ccc(F)cc1Nc1cc(Nc2cc(C)nn2C)ncc1C(F)(F)F
Show InChI InChI=1S/C23H41N5O3/c1-2-8-22(30)28-21(18-19-9-5-10-20(29)17-19)23(31)27-16-7-15-26-13-4-3-12-25-14-6-11-24/h5,9-10,17,21,25-26,29H,2-4,6-8,11-16,18,24H2,1H3,(H,27,31)(H,28,30)/t21-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MEK1 (unknown origin) autophosphorylation incubated with enzyme for 20 mins prior to ATP addition by ADP Glo kinase assay in presence o...


J Med Chem 58: 4790-801 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00466
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50094310
PNG
(CHEMBL3590112)
Show SMILES CCS(=O)(=O)N1CCc2cnc(NC3CCOCC3)nc2C1
Show InChI InChI=1S/C29H43N3O3/c30-19-12-7-5-3-1-2-4-6-8-13-20-31-29(35)27(22-25-17-14-18-26(33)21-25)32-28(34)23-24-15-10-9-11-16-24/h9-11,14-18,21,27,33H,1-8,12-13,19-20,22-23,30H2,(H,31,35)(H,32,34)/t27-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MEK U911-activated ERK2 (unknown origin) using Erktide as substrate preincubated with enzyme for 20 mins prior to substrate addition by...


J Med Chem 58: 4790-801 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00466
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50094470
PNG
(CHEMBL3590121)
Show SMILES FC(F)(F)c1cnc(NC2CCOCC2)nc1Nc1ccccc1NC(=O)C=C
Show InChI InChI=1S/C19H20F3N5O2/c1-2-16(28)25-14-5-3-4-6-15(14)26-17-13(19(20,21)22)11-23-18(27-17)24-12-7-9-29-10-8-12/h2-6,11-12H,1,7-10H2,(H,25,28)(H2,23,24,26,27)
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MEK1 (unknown origin) autophosphorylation incubated with enzyme for 20 mins prior to ATP addition by ADP Glo kinase assay in presence o...


J Med Chem 58: 4790-801 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00466
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50094309
PNG
(CHEMBL3590113)
Show SMILES CCS(=O)(=O)Nc1ccc2[nH]nc(-c3ccncc3)c2c1
Show InChI InChI=1S/C27H41N5O3/c28-13-7-16-29-14-4-5-15-30-17-8-18-31-27(35)25(20-23-11-6-12-24(33)19-23)32-26(34)21-22-9-2-1-3-10-22/h1-3,6,9-12,19,25,29-30,33H,4-5,7-8,13-18,20-21,28H2,(H,31,35)(H,32,34)/t25-/m0/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of ERK2 in human A375 cells harboring B-RAF V600E mutant assessed as decrease in phospho-ERK2 level after 2 hrs by Cellomics ArrayScanTM V...


J Med Chem 58: 4790-801 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00466
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50094306
PNG
(CHEMBL3590116)
Show SMILES CNC(=O)c1ccc(F)cc1Nc1cc(NC2CCOCC2)ncc1C(F)(F)F
Show InChI InChI=1S/C29H49N3O3/c30-20-12-7-5-3-1-2-4-6-8-13-21-31-29(35)27(22-25-16-18-26(33)19-17-25)32-28(34)23-24-14-10-9-11-15-24/h16-19,24,27,33H,1-15,20-23,30H2,(H,31,35)(H,32,34)/t27-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MEK1 (unknown origin) autophosphorylation incubated with enzyme for 20 mins prior to ATP addition by ADP Glo kinase assay in presence o...


J Med Chem 58: 4790-801 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00466
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50094310
PNG
(CHEMBL3590112)
Show SMILES CCS(=O)(=O)N1CCc2cnc(NC3CCOCC3)nc2C1
Show InChI InChI=1S/C29H43N3O3/c30-19-12-7-5-3-1-2-4-6-8-13-20-31-29(35)27(22-25-17-14-18-26(33)21-25)32-28(34)23-24-15-10-9-11-16-24/h9-11,14-18,21,27,33H,1-8,12-13,19-20,22-23,30H2,(H,31,35)(H,32,34)/t27-/m0/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of ERK2 in human A375 cells harboring B-RAF V600E mutant assessed as decrease in phospho-ERK2 level after 2 hrs by Cellomics ArrayScanTM V...


J Med Chem 58: 4790-801 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00466
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50094467
PNG
(CHEMBL3590124)
Show SMILES CN(C)[C@H]1CC[C@@H](CC1)Nc1ncc(Cl)c(Nc2ccccc2NC(=O)C=C)n1 |r,wU:3.2,wD:6.9,(-7.99,-2.79,;-8,-1.56,;-9.07,-.95,;-6.67,-.78,;-6.67,.76,;-5.34,1.53,;-4,.77,;-4,-.77,;-5.33,-1.55,;-2.67,1.54,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;2.4,-1.39,;,-1.54,;-0,-3.08,;-1.34,-3.85,;-2.67,-3.07,;-4.01,-3.84,;-4.01,-5.38,;-2.68,-6.15,;-1.34,-5.39,;-.01,-6.17,;-.02,-7.71,;-1.09,-8.32,;1.31,-8.49,;1.3,-9.72,;-1.33,-.77,)|
Show InChI InChI=1/C21H27ClN6O/c1-4-19(29)25-17-7-5-6-8-18(17)26-20-16(22)13-23-21(27-20)24-14-9-11-15(12-10-14)28(2)3/h4-8,13-15H,1,9-12H2,2-3H3,(H,25,29)(H2,23,24,26,27)/t14-,15-
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MEK1 (unknown origin) autophosphorylation incubated with enzyme for 20 mins prior to ATP addition by ADP Glo kinase assay in presence o...


J Med Chem 58: 4790-801 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00466
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50094469
PNG
(CHEMBL3590122)
Show SMILES Cc1cnc(NC2CCOCC2)nc1Nc1ccccc1NC(=O)C=C
Show InChI InChI=1S/C19H23N5O2/c1-3-17(25)22-15-6-4-5-7-16(15)23-18-13(2)12-20-19(24-18)21-14-8-10-26-11-9-14/h3-7,12,14H,1,8-11H2,2H3,(H,22,25)(H2,20,21,23,24)
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MEK1 (unknown origin) autophosphorylation incubated with enzyme for 20 mins prior to ATP addition by ADP Glo kinase assay in presence o...


J Med Chem 58: 4790-801 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00466
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50094312
PNG
(CHEMBL3590110)
Show SMILES C=CS(=O)(=O)Nc1ccc2[nH]nc(-c3ccncc3)c2c1
Show InChI InChI=1S/C23H39N3O5/c1-2-8-22(28)26-21(18-19-9-5-10-20(27)17-19)23(29)25-12-7-16-31-14-4-3-13-30-15-6-11-24/h5,9-10,17,21,27H,2-4,6-8,11-16,18,24H2,1H3,(H,25,29)(H,26,28)/t21-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MEK1 (unknown origin) autophosphorylation incubated with enzyme for 20 mins prior to ATP addition by ADP Glo kinase assay in presence o...


J Med Chem 58: 4790-801 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00466
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50094465
PNG
(CHEMBL3590106)
Show SMILES CC(C)Nc1cc(-c2c[nH]c(c2)C(=O)N[C@H](CO)c2cccc(Cl)c2)c(Cl)cn1 |r|
Show InChI InChI=1S/C19H21NO3/c21-18(23-17-11-13-20-14-12-17)19(22,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17,20,22H,11-14H2
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MEK1 (unknown origin) autophosphorylation incubated with enzyme for 20 mins prior to ATP addition by ADP Glo kinase assay in presence o...


J Med Chem 58: 4790-801 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00466
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50094307
PNG
(CHEMBL3590115)
Show SMILES CNC(=O)c1ccccc1Nc1cc(NC2CCOCC2)ncc1Cl
Show InChI InChI=1S/C27H45N3O5/c28-14-6-18-34-16-4-5-17-35-19-7-15-29-27(33)25(20-23-10-12-24(31)13-11-23)30-26(32)21-22-8-2-1-3-9-22/h10-13,22,25,31H,1-9,14-21,28H2,(H,29,33)(H,30,32)/t25-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MEK1 (unknown origin) autophosphorylation incubated with enzyme for 20 mins prior to ATP addition by ADP Glo kinase assay in presence o...


J Med Chem 58: 4790-801 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00466
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50094472
PNG
(CHEMBL3590119)
Show SMILES CCC(=O)Nc1ccccc1Nc1nc(NC2CCOCC2)ncc1Cl
Show InChI InChI=1S/C26H26FNO3/c27-23-13-11-20(12-14-23)19-28-17-15-24(16-18-28)31-25(29)26(30,21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-14,24,30H,15-19H2
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n/an/a>3.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of ERK2 in human A375 cells harboring B-RAF V600E mutant assessed as decrease in phospho-ERK2 level after 2 hrs by Cellomics ArrayScanTM V...


J Med Chem 58: 4790-801 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00466
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
* indicates data uncertainty>20%