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Compile Data Set for Download or QSAR

Found 224 hits Enz. Inhib. hit(s) with Target = 'MAP kinase ERK1'   
Target
(Institution)
LigandTarget
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 3


(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 1.20n/an/an/an/an/an/a



Ontario Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of ERK1 (unknown origin)


Bioorg Med Chem Lett 25: 4047-56 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 3


(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
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



Ontario Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of ERK1 (unknown origin) after 45 mins by IMAP assay


Bioorg Med Chem Lett 25: 4047-56 (2015)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))
BDBM103302
PNG
(SCH772984 | US8546404, 6)
Show SMILES O=C(CN1CC[C@@H](C1)C(=O)Nc1ccc2[nH]nc(-c3ccncc3)c2c1)N1CCN(CC1)c1ccc(cc1)-c1ncccn1
Show InChI InChI=1S/C33H33N9O2/c43-30(42-18-16-41(17-19-42)27-5-2-24(3-6-27)32-35-11-1-12-36-32)22-40-15-10-25(21-40)33(44)37-26-4-7-29-28(20-26)31(39-38-29)23-8-13-34-14-9-23/h1-9,11-14,20,25H,10,15-19,21-22H2,(H,37,44)(H,38,39)/t25-/m1/s1
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n/an/a 8.30n/an/an/an/an/an/a



George Washington University



Assay Description
The IC50 values of selected kinases were determined using either Z'LYTE, Adapta or LanthaScreen assays.


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))
BDBM16673
PNG
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)
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n/an/a 18n/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of ERK1 (unknown origin) using GFP-ATF2 as substrate after 1 hr by TR-FRET assay


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))
BDBM50088859
PNG
(CHEMBL3577565)
Show SMILES COc1cccc(c1)N1C(=O)\C(=C\c2ccc(OCC(=O)Nc3cccc(C)c3)cc2)N=C1c1ccccc1
Show InChI InChI=1S/C32H27N3O4/c1-22-8-6-11-25(18-22)33-30(36)21-39-27-16-14-23(15-17-27)19-29-32(37)35(26-12-7-13-28(20-26)38-2)31(34-29)24-9-4-3-5-10-24/h3-20H,21H2,1-2H3,(H,33,36)/b29-19-
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n/an/a 20n/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of ERK1 (unknown origin) using GFP-ATF2 as substrate after 1 hr by TR-FRET assay


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))
BDBM50089077
PNG
(CHEMBL3577641)
Show SMILES COc1ccc(cc1)N1C(=O)\C(=C\c2ccc(OCC(=O)Nc3cccc(OC)c3)cc2)N=C1c1ccccc1
Show InChI InChI=1S/C32H27N3O5/c1-38-26-17-13-25(14-18-26)35-31(23-7-4-3-5-8-23)34-29(32(35)37)19-22-11-15-27(16-12-22)40-21-30(36)33-24-9-6-10-28(20-24)39-2/h3-20H,21H2,1-2H3,(H,33,36)/b29-19-
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n/an/a 21n/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of ERK1 (unknown origin) using GFP-ATF2 as substrate after 1 hr by TR-FRET assay


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))
BDBM50089079
PNG
(CHEMBL3577639)
Show SMILES COc1ccc(cc1)N1C(=O)\C(=C\c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)N=C1c1ccccc1
Show InChI InChI=1S/C32H27N3O4/c1-22-8-12-25(13-9-22)33-30(36)21-39-28-16-10-23(11-17-28)20-29-32(37)35(26-14-18-27(38-2)19-15-26)31(34-29)24-6-4-3-5-7-24/h3-20H,21H2,1-2H3,(H,33,36)/b29-20-
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n/an/a 23n/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of ERK1 (unknown origin) using GFP-ATF2 as substrate after 1 hr by TR-FRET assay


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))
BDBM50089076
PNG
(CHEMBL3577642)
Show SMILES COc1ccc(NC(=O)COc2ccc(\C=C3/N=C(N(C3=O)c3ccc(OC)cc3)c3ccccc3)cc2)cc1
Show InChI InChI=1S/C32H27N3O5/c1-38-26-16-10-24(11-17-26)33-30(36)21-40-28-14-8-22(9-15-28)20-29-32(37)35(25-12-18-27(39-2)19-13-25)31(34-29)23-6-4-3-5-7-23/h3-20H,21H2,1-2H3,(H,33,36)/b29-20-
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n/an/a 23n/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of ERK1 (unknown origin) using GFP-ATF2 as substrate after 1 hr by TR-FRET assay


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))
BDBM50089082
PNG
(CHEMBL3577636)
Show SMILES COc1ccc(cc1)N1C(=O)\C(=C\c2ccc(OCC(=O)Nc3ccccc3)cc2)N=C1c1ccccc1
Show InChI InChI=1S/C31H25N3O4/c1-37-26-18-14-25(15-19-26)34-30(23-8-4-2-5-9-23)33-28(31(34)36)20-22-12-16-27(17-13-22)38-21-29(35)32-24-10-6-3-7-11-24/h2-20H,21H2,1H3,(H,32,35)/b28-20-
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n/an/a 23n/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of ERK1 (unknown origin) using GFP-ATF2 as substrate after 1 hr by TR-FRET assay


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))
BDBM50089074
PNG
(CHEMBL3577643)
Show SMILES COc1ccc(cc1)N1C(=O)\C(=C\c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)N=C1c1ccccc1
Show InChI InChI=1S/C31H24ClN3O4/c1-38-24-17-13-23(14-18-24)35-30(22-7-3-2-4-8-22)34-28(31(35)37)19-21-11-15-25(16-12-21)39-20-29(36)33-27-10-6-5-9-26(27)32/h2-19H,20H2,1H3,(H,33,36)/b28-19-
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n/an/a 24n/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of ERK1 (unknown origin) using GFP-ATF2 as substrate after 1 hr by TR-FRET assay


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))
BDBM50088858
PNG
(CHEMBL3577566)
Show SMILES COc1cccc(c1)N1C(=O)\C(=C\c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)N=C1c1ccccc1
Show InChI InChI=1S/C32H27N3O4/c1-22-11-15-25(16-12-22)33-30(36)21-39-27-17-13-23(14-18-27)19-29-32(37)35(26-9-6-10-28(20-26)38-2)31(34-29)24-7-4-3-5-8-24/h3-20H,21H2,1-2H3,(H,33,36)/b29-19-
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n/an/a 25n/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of ERK1 (unknown origin) using GFP-ATF2 as substrate after 1 hr by TR-FRET assay


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))
BDBM50089081
PNG
(CHEMBL3577637)
Show SMILES COc1ccc(cc1)N1C(=O)\C(=C\c2ccc(OCC(=O)Nc3ccccc3C)cc2)N=C1c1ccccc1
Show InChI InChI=1S/C32H27N3O4/c1-22-8-6-7-11-28(22)33-30(36)21-39-27-16-12-23(13-17-27)20-29-32(37)35(25-14-18-26(38-2)19-15-25)31(34-29)24-9-4-3-5-10-24/h3-20H,21H2,1-2H3,(H,33,36)/b29-20-
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n/an/a 32n/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of ERK1 (unknown origin) using GFP-ATF2 as substrate after 1 hr by TR-FRET assay


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))
BDBM50088897
PNG
(CHEMBL3577644)
Show SMILES COc1ccc(cc1)N1C(=O)\C(=C\c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)N=C1c1ccccc1
Show InChI InChI=1S/C31H24ClN3O4/c1-38-26-16-12-25(13-17-26)35-30(22-6-3-2-4-7-22)34-28(31(35)37)18-21-10-14-27(15-11-21)39-20-29(36)33-24-9-5-8-23(32)19-24/h2-19H,20H2,1H3,(H,33,36)/b28-18-
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n/an/a 35n/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of ERK1 (unknown origin) using GFP-ATF2 as substrate after 1 hr by TR-FRET assay


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))
BDBM50088894
PNG
(CHEMBL3577564)
Show SMILES COc1cccc(c1)N1C(=O)\C(=C\c2ccc(OCC(=O)Nc3ccccc3C)cc2)N=C1c1ccccc1
Show InChI InChI=1S/C32H27N3O4/c1-22-9-6-7-14-28(22)33-30(36)21-39-26-17-15-23(16-18-26)19-29-32(37)35(25-12-8-13-27(20-25)38-2)31(34-29)24-10-4-3-5-11-24/h3-20H,21H2,1-2H3,(H,33,36)/b29-19-
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n/an/a 43n/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of ERK1 (unknown origin) using GFP-ATF2 as substrate after 1 hr by TR-FRET assay


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))
BDBM50089078
PNG
(CHEMBL3577640)
Show SMILES COc1ccc(cc1)N1C(=O)\C(=C\c2ccc(OCC(=O)Nc3ccccc3OC)cc2)N=C1c1ccccc1
Show InChI InChI=1S/C32H27N3O5/c1-38-25-18-14-24(15-19-25)35-31(23-8-4-3-5-9-23)34-28(32(35)37)20-22-12-16-26(17-13-22)40-21-30(36)33-27-10-6-7-11-29(27)39-2/h3-20H,21H2,1-2H3,(H,33,36)/b28-20-
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n/an/a 43n/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of ERK1 (unknown origin) using GFP-ATF2 as substrate after 1 hr by TR-FRET assay


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))
BDBM50088857
PNG
(CHEMBL3577567)
Show SMILES COc1cccc(c1)N1C(=O)\C(=C\c2ccc(OCC(=O)Nc3ccccc3OC)cc2)N=C1c1ccccc1
Show InChI InChI=1S/C32H27N3O5/c1-38-26-12-8-11-24(20-26)35-31(23-9-4-3-5-10-23)34-28(32(35)37)19-22-15-17-25(18-16-22)40-21-30(36)33-27-13-6-7-14-29(27)39-2/h3-20H,21H2,1-2H3,(H,33,36)/b28-19-
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n/an/a 46n/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of ERK1 (unknown origin) using GFP-ATF2 as substrate after 1 hr by TR-FRET assay


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))
BDBM50088896
PNG
(CHEMBL3577645)
Show SMILES COc1ccc(cc1)N1C(=O)\C(=C\c2ccc(OCC(=O)Nc3ccc(Cl)cc3)cc2)N=C1c1ccccc1
Show InChI InChI=1S/C31H24ClN3O4/c1-38-26-17-13-25(14-18-26)35-30(22-5-3-2-4-6-22)34-28(31(35)37)19-21-7-15-27(16-8-21)39-20-29(36)33-24-11-9-23(32)10-12-24/h2-19H,20H2,1H3,(H,33,36)/b28-19-
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n/an/a 47n/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of ERK1 (unknown origin) using GFP-ATF2 as substrate after 1 hr by TR-FRET assay


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))
BDBM50088856
PNG
(CHEMBL3577631)
Show SMILES COc1cccc(NC(=O)COc2ccc(\C=C3/N=C(N(C3=O)c3cccc(OC)c3)c3ccccc3)cc2)c1
Show InChI InChI=1S/C32H27N3O5/c1-38-27-12-6-10-24(19-27)33-30(36)21-40-26-16-14-22(15-17-26)18-29-32(37)35(25-11-7-13-28(20-25)39-2)31(34-29)23-8-4-3-5-9-23/h3-20H,21H2,1-2H3,(H,33,36)/b29-18-
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n/an/a 57n/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of ERK1 (unknown origin) using GFP-ATF2 as substrate after 1 hr by TR-FRET assay


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))
BDBM50088895
PNG
(CHEMBL3577563)
Show SMILES COc1cccc(c1)N1C(=O)\C(=C\c2ccc(OCC(=O)Nc3ccccc3)cc2)N=C1c1ccccc1
Show InChI InChI=1S/C31H25N3O4/c1-37-27-14-8-13-25(20-27)34-30(23-9-4-2-5-10-23)33-28(31(34)36)19-22-15-17-26(18-16-22)38-21-29(35)32-24-11-6-3-7-12-24/h2-20H,21H2,1H3,(H,32,35)/b28-19-
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n/an/a 65n/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of ERK1 (unknown origin) using GFP-ATF2 as substrate after 1 hr by TR-FRET assay


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))
BDBM50088855
PNG
(CHEMBL3577632)
Show SMILES COc1ccc(NC(=O)COc2ccc(\C=C3/N=C(N(C3=O)c3cccc(OC)c3)c3ccccc3)cc2)cc1
Show InChI InChI=1S/C32H27N3O5/c1-38-26-17-13-24(14-18-26)33-30(36)21-40-27-15-11-22(12-16-27)19-29-32(37)35(25-9-6-10-28(20-25)39-2)31(34-29)23-7-4-3-5-8-23/h3-20H,21H2,1-2H3,(H,33,36)/b29-19-
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n/an/a 76n/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of ERK1 (unknown origin) using GFP-ATF2 as substrate after 1 hr by TR-FRET assay


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))
BDBM50088854
PNG
(CHEMBL3577633)
Show SMILES COc1cccc(c1)N1C(=O)\C(=C\c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)N=C1c1ccccc1
Show InChI InChI=1S/C31H24ClN3O4/c1-38-25-11-7-10-23(19-25)35-30(22-8-3-2-4-9-22)34-28(31(35)37)18-21-14-16-24(17-15-21)39-20-29(36)33-27-13-6-5-12-26(27)32/h2-19H,20H2,1H3,(H,33,36)/b28-18-
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n/an/a 87n/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of ERK1 (unknown origin) using GFP-ATF2 as substrate after 1 hr by TR-FRET assay


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))
BDBM50089080
PNG
(CHEMBL3577638)
Show SMILES COc1ccc(cc1)N1C(=O)\C(=C\c2ccc(OCC(=O)Nc3cccc(C)c3)cc2)N=C1c1ccccc1
Show InChI InChI=1S/C32H27N3O4/c1-22-7-6-10-25(19-22)33-30(36)21-39-28-15-11-23(12-16-28)20-29-32(37)35(26-13-17-27(38-2)18-14-26)31(34-29)24-8-4-3-5-9-24/h3-20H,21H2,1-2H3,(H,33,36)/b29-20-
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n/an/a 89n/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of ERK1 (unknown origin) using GFP-ATF2 as substrate after 1 hr by TR-FRET assay


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))
BDBM50088791
PNG
(CHEMBL3577634)
Show SMILES COc1cccc(c1)N1C(=O)\C(=C\c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)N=C1c1ccccc1
Show InChI InChI=1S/C31H24ClN3O4/c1-38-27-12-6-11-25(19-27)35-30(22-7-3-2-4-8-22)34-28(31(35)37)17-21-13-15-26(16-14-21)39-20-29(36)33-24-10-5-9-23(32)18-24/h2-19H,20H2,1H3,(H,33,36)/b28-17-
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n/an/a 89n/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of ERK1 (unknown origin) using GFP-ATF2 as substrate after 1 hr by TR-FRET assay


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))
BDBM50089083
PNG
(CHEMBL3577635)
Show SMILES COc1cccc(c1)N1C(=O)\C(=C\c2ccc(OCC(=O)Nc3ccc(Cl)cc3)cc2)N=C1c1ccccc1
Show InChI InChI=1S/C31H24ClN3O4/c1-38-27-9-5-8-25(19-27)35-30(22-6-3-2-4-7-22)34-28(31(35)37)18-21-10-16-26(17-11-21)39-20-29(36)33-24-14-12-23(32)13-15-24/h2-19H,20H2,1H3,(H,33,36)/b28-18-
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n/an/a 95n/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of ERK1 (unknown origin) using GFP-ATF2 as substrate after 1 hr by TR-FRET assay


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))
BDBM50164696
PNG
(CHEMBL195641 | N*4*-[4-(3H-Benzoimidazol-5-ylamino...)
Show SMILES FC(F)(F)c1cnc(Nc2ccc(NC#N)c(NC#N)c2)nc1Nc1ccc2nc[nH]c2c1
Show InChI InChI=1S/C20H13F3N10/c21-20(22,23)13-7-26-19(32-12-2-3-14(27-8-24)16(6-12)28-9-25)33-18(13)31-11-1-4-15-17(5-11)30-10-29-15/h1-7,10,27-28H,(H,29,30)(H2,26,31,32,33)
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n/an/a 300n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibitory concentration against Extracellular signal-regulated kinase 1


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))
BDBM50188913
PNG
(CHEMBL213618 | N-((S)-1-amino-3-(2,4-dichloropheny...)
Show SMILES CNc1nccc(n1)-c1ccc(s1)C(=O)N[C@H](CN)Cc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C19H19Cl2N5OS/c1-23-19-24-7-6-15(26-19)16-4-5-17(28-16)18(27)25-13(10-22)8-11-2-3-12(20)9-14(11)21/h2-7,9,13H,8,10,22H2,1H3,(H,25,27)(H,23,24,26)/t13-/m0/s1
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n/an/a 400n/an/an/an/an/an/a



Chiron Corporation

Curated by ChEMBL


Assay Description
Inhibition of ERK1


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))
BDBM50364378
PNG
(CHEMBL1950289)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3c(F)cc(F)cc3F)n([C@H]3CCOC3)c2n1
Show InChI InChI=1S/C21H23F3N6O2/c22-11-7-15(23)18(16(24)8-11)28-21-27-17-9-25-20(26-12-1-3-14(31)4-2-12)29-19(17)30(21)13-5-6-32-10-13/h7-9,12-14,31H,1-6,10H2,(H,27,28)(H,25,26,29)/t12-,13-,14-/m0/s1
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n/an/a 480n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of ERK1


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))
BDBM50164704
PNG
(CHEMBL364935 | N*4*-(3H-Benzoimidazol-5-yl)-N*2*-(...)
Show SMILES FC(F)(F)c1cnc(Nc2ccc(Br)cc2)nc1Nc1ccc2nc[nH]c2c1
Show InChI InChI=1S/C18H12BrF3N6/c19-10-1-3-11(4-2-10)27-17-23-8-13(18(20,21)22)16(28-17)26-12-5-6-14-15(7-12)25-9-24-14/h1-9H,(H,24,25)(H2,23,26,27,28)
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n/an/a 750n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibitory concentration against Extracellular signal-regulated kinase 1


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))
BDBM50315615
PNG
(7-(3-(trifluoromethyl)pyridin-2-yl)-N-(5-(trifluor...)
Show SMILES FC(F)(F)c1ccc(Nc2ccnc3nc(ccc23)-c2ncccc2C(F)(F)F)nc1
Show InChI InChI=1S/C20H11F6N5/c21-19(22,23)11-3-6-16(29-10-11)30-14-7-9-28-18-12(14)4-5-15(31-18)17-13(20(24,25)26)2-1-8-27-17/h1-10H,(H,28,29,30,31)
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n/an/a 980n/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Inhibition of human ERK1


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))
BDBM50192071
PNG
((13R,15S)-13-methyl-16-oxa-8,9,12,22,24-pentaazahe...)
Show SMILES C[C@@H]1C[C@H]2CN1CCn1[nH]c3c(cccc3c1=O)-c1nc3c(O2)cccc3[nH]c1=O
Show InChI InChI=1S/C22H21N5O3/c1-12-10-13-11-26(12)8-9-27-22(29)15-5-2-4-14(18(15)25-27)19-21(28)23-16-6-3-7-17(30-13)20(16)24-19/h2-7,12-13,25H,8-11H2,1H3,(H,23,28)/t12-,13+/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of ERK1


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))
BDBM50164691
PNG
(CHEMBL372464 | N*2*-(3H-Benzoimidazol-5-yl)-N*4*-(...)
Show SMILES COc1ccc(Nc2nc(Nc3ccc4nc[nH]c4c3)ncc2C(F)(F)F)cc1
Show InChI InChI=1S/C19H15F3N6O/c1-29-13-5-2-11(3-6-13)26-17-14(19(20,21)22)9-23-18(28-17)27-12-4-7-15-16(8-12)25-10-24-15/h2-10H,1H3,(H,24,25)(H2,23,26,27,28)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibitory concentration against Extracellular signal-regulated kinase 1


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))
BDBM50326206
PNG
(CHEMBL1243200 | N-(4-(3-(2-(Methylamino)pyrimidin-...)
Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)c2ccccc2Nc2ccccc2)cc1
Show InChI InChI=1S/C29H24N6O2/c1-30-29-32-19-17-26(35-29)24-11-7-18-31-28(24)37-22-15-13-21(14-16-22)34-27(36)23-10-5-6-12-25(23)33-20-8-3-2-4-9-20/h2-19,33H,1H3,(H,34,36)(H,30,32,35)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Erk1 by HTRF assay


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))
BDBM50164693
PNG
(CHEMBL194721 | N*2*-(3H-Benzoimidazol-5-yl)-N*4*-(...)
Show SMILES FC(F)(F)c1cnc(Nc2ccc3nc[nH]c3c2)nc1Nc1ccccc1Cl
Show InChI InChI=1S/C18H12ClF3N6/c19-12-3-1-2-4-13(12)27-16-11(18(20,21)22)8-23-17(28-16)26-10-5-6-14-15(7-10)25-9-24-14/h1-9H,(H,24,25)(H2,23,26,27,28)
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Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibitory concentration against Extracellular signal-regulated kinase 1


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))
BDBM50373212
PNG
(CHEMBL258676)
Show SMILES COC(=O)c1c(-c2ccccc2)c2cc(Br)ccc2c(=O)n1Cc1ccccc1
Show InChI InChI=1S/C24H18BrNO3/c1-29-24(28)22-21(17-10-6-3-7-11-17)20-14-18(25)12-13-19(20)23(27)26(22)15-16-8-4-2-5-9-16/h2-14H,15H2,1H3
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n/an/a>1.10E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of ERK1


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))
BDBM50373209
PNG
(CHEMBL258457)
Show SMILES COC(=O)c1c(-c2ccccc2)c2cc(Br)ccc2c(=O)n1CCc1ccccc1
Show InChI InChI=1S/C25H20BrNO3/c1-30-25(29)23-22(18-10-6-3-7-11-18)21-16-19(26)12-13-20(21)24(28)27(23)15-14-17-8-4-2-5-9-17/h2-13,16H,14-15H2,1H3
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n/an/a>1.10E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of ERK1


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))
BDBM50373210
PNG
(CHEMBL406971)
Show SMILES OCc1c(-c2ccccc2)c2cc(Br)ccc2c(=O)n1CC1CCCCC1
Show InChI InChI=1S/C23H24BrNO2/c24-18-11-12-19-20(13-18)22(17-9-5-2-6-10-17)21(15-26)25(23(19)27)14-16-7-3-1-4-8-16/h2,5-6,9-13,16,26H,1,3-4,7-8,14-15H2
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n/an/a>1.10E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of ERK1


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))
BDBM50373211
PNG
(CHEMBL259934)
Show SMILES COC(=O)c1c(-c2ccccc2)c2cc(Br)ccc2c(=O)n1CC1CCCCC1
Show InChI InChI=1S/C24H24BrNO3/c1-29-24(28)22-21(17-10-6-3-7-11-17)20-14-18(25)12-13-19(20)23(27)26(22)15-16-8-4-2-5-9-16/h3,6-7,10-14,16H,2,4-5,8-9,15H2,1H3
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n/an/a>1.10E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of ERK1


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))
BDBM50373214
PNG
(CHEMBL259544)
Show SMILES OC(=O)c1c(-c2ccccc2)c2cc(Br)ccc2c(=O)n1CC1CCCCC1
Show InChI InChI=1S/C23H22BrNO3/c24-17-11-12-18-19(13-17)20(16-9-5-2-6-10-16)21(23(27)28)25(22(18)26)14-15-7-3-1-4-8-15/h2,5-6,9-13,15H,1,3-4,7-8,14H2,(H,27,28)
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n/an/a>1.10E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of ERK1


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))
BDBM50373213
PNG
(CHEMBL409429)
Show SMILES COC(=O)c1c(-c2ccccc2)c2cc(Br)ccc2c(=O)n1CCCc1ccccc1
Show InChI InChI=1S/C26H22BrNO3/c1-31-26(30)24-23(19-12-6-3-7-13-19)22-17-20(27)14-15-21(22)25(29)28(24)16-8-11-18-9-4-2-5-10-18/h2-7,9-10,12-15,17H,8,11,16H2,1H3
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n/an/a>1.10E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of ERK1


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))
BDBM50431812
PNG
(CHEMBL2347053)
Show SMILES [O-][N+](=O)c1ccccc1-c1n[nH]cc1C=C1C(=O)Nc2ccccc12
Show InChI InChI=1S/C18H12N4O3/c23-18-14(12-5-1-3-7-15(12)20-18)9-11-10-19-21-17(11)13-6-2-4-8-16(13)22(24)25/h1-10H,(H,19,21)(H,20,23)
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n/an/a 1.15E+3n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of ERK1 (unknown origin) after 10 mins by mobility shift assay


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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PubMed
n/an/a 1.31E+3n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of recombinant ERK1 (unknown origin) expressed in Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))
BDBM50059889
PNG
((staurosporine)3-methoxy-2-methyl-4-methylamino-(2...)
Show SMILES CN[C@@H]1CC2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20?,26-,28+/m1/s1
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Article
PubMed
n/an/a 1.31E+3n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of recombinant ERK1 expressed in Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))
BDBM50336457
PNG
((3S,5Z,8S,9R,11E)-8,9,16-trihydroxy-14-methoxy-3-m...)
Show SMILES COc1cc(O)c2c(CCCC(=O)C(=O)C(=O)CCC[C@H](C)OC2=O)c1
Show InChI InChI=1S/C19H22O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h9-11,22H,3-8H2,1-2H3/t11-/m0/s1
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Article
PubMed
n/an/a 1.40E+3n/an/an/an/an/an/a



National University of Ireland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ERK1 expressed in E.coli after 30 mins


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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PubMed
n/an/a 1.40E+3n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human ERK1 by kinase inhibition assay


Eur J Med Chem 103: 29-43 (2015)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))
BDBM50387330
PNG
(CHEMBL2046643)
Show SMILES CC(C)C[C@H]1CN(CCN1)c1ccc(c(n1)C(=O)c1cccnc1N)C(F)(F)F
Show InChI InChI=1S/C20H24F3N5O/c1-12(2)10-13-11-28(9-8-25-13)16-6-5-15(20(21,22)23)17(27-16)18(29)14-4-3-7-26-19(14)24/h3-7,12-13,25H,8-11H2,1-2H3,(H2,24,26)/t13-/m0/s1
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PubMed
n/an/a>2.00E+3n/an/an/an/an/an/a



Department of Chemistry at Vertex Pharmaceuticals (Europe) Ltd

Curated by ChEMBL


Assay Description
Inhibition of ERK1


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))
BDBM7478
PNG
(2-chloro-4-[(2-{[(1R)-1-(hydroxymethyl)-2-methylpr...)
Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2ccc(C(O)=O)c(Cl)c2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C20H25ClN6O3/c1-10(2)15(8-28)24-20-25-17(16-18(26-20)27(9-22-16)11(3)4)23-12-5-6-13(19(29)30)14(21)7-12/h5-7,9-11,15,28H,8H2,1-4H3,(H,29,30)(H2,23,24,25,26)/t15-/m0/s1
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PubMed
n/an/a 3.30E+3n/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of Mitogen-activated protein kinase 3 (MAPK-ERK1)


J Med Chem 45: 2366-78 (2002)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))
BDBM7478
PNG
(2-chloro-4-[(2-{[(1R)-1-(hydroxymethyl)-2-methylpr...)
Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2ccc(C(O)=O)c(Cl)c2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C20H25ClN6O3/c1-10(2)15(8-28)24-20-25-17(16-18(26-20)27(9-22-16)11(3)4)23-12-5-6-13(19(29)30)14(21)7-12/h5-7,9-11,15,28H,8H2,1-4H3,(H,29,30)(H2,23,24,25,26)/t15-/m0/s1
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PubMed
n/an/a 3.33E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human Erk1


Science 281: 533-538 (1998)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))
BDBM50347388
PNG
(CHEMBL1234833)
Show SMILES CC(C)c1cnn2c(NCc3ccccc3)cc(N[C@@H](CO)[C@H](O)CO)nc12
Show InChI InChI=1S/C20H27N5O3/c1-13(2)15-10-22-25-19(21-9-14-6-4-3-5-7-14)8-18(24-20(15)25)23-16(11-26)17(28)12-27/h3-8,10,13,16-17,21,26-28H,9,11-12H2,1-2H3,(H,23,24)/t16-,17+/m0/s1
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Article
PubMed
n/an/a 3.73E+3n/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of ERK1


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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Article
PubMed
n/an/a 4.90E+3n/an/an/an/an/an/a



Chiron Corporation

Curated by ChEMBL


Assay Description
Inhibition of ERK1


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))
BDBM50059889
PNG
((staurosporine)3-methoxy-2-methyl-4-methylamino-(2...)
Show SMILES CN[C@@H]1CC2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20?,26-,28+/m1/s1
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Article
PubMed
n/an/a 5.09E+3n/an/an/an/an/an/a



Centre Universitaire

Curated by ChEMBL


Assay Description
Inhibition of ERK1


Citation and Details
More data for this
Ligand-Target Pair
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