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PubMed code 26338362

Compile data set for download or QSAR
Found 40 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))
BDBM50127094
PNG
(CHEMBL3628383)
Show SMILES C(c1ccccc1)n1cc(cn1)-c1c[nH]c2ncc(nc12)-c1ccncc1
Show InChI InChI=1S/C21H16N6/c1-2-4-15(5-3-1)13-27-14-17(10-25-27)18-11-23-21-20(18)26-19(12-24-21)16-6-8-22-9-7-16/h1-12,14H,13H2,(H,23,24)
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n/an/a 37n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of ERK2 (unknown origin) using 5FAM-IPTSPITTTYFFFKKK as substrate after 1 hr by LC3K assay


Bioorg Med Chem Lett 25: 4728-32 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50127089
PNG
(CHEMBL3628378)
Show SMILES CCCn1cc(cn1)-c1c[nH]c2ncc(nc12)-c1ccncc1
Show InChI InChI=1S/C17H16N6/c1-2-7-23-11-13(8-21-23)14-9-19-17-16(14)22-15(10-20-17)12-3-5-18-6-4-12/h3-6,8-11H,2,7H2,1H3,(H,19,20)
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n/an/a 71n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of ERK2 (unknown origin) using 5FAM-IPTSPITTTYFFFKKK as substrate after 1 hr by LC3K assay


Bioorg Med Chem Lett 25: 4728-32 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50127095
PNG
(CHEMBL3628376)
Show SMILES Cn1cc(cn1)-c1c[nH]c2ncc(nc12)-c1ccncc1
Show InChI InChI=1S/C15H12N6/c1-21-9-11(6-19-21)12-7-17-15-14(12)20-13(8-18-15)10-2-4-16-5-3-10/h2-9H,1H3,(H,17,18)
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n/an/a 72n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ERK2 expressed in Escherichia coli using Omnia peptide S/T17 as substrate measured every 50 seconds for 30 mins


Bioorg Med Chem Lett 25: 4728-32 (2015)

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


(Homo sapiens (Human))
BDBM50127090
PNG
(CHEMBL3628379)
Show SMILES CC(C)Cn1cc(cn1)-c1c[nH]c2ncc(nc12)-c1ccncc1
Show InChI InChI=1S/C18H18N6/c1-12(2)10-24-11-14(7-22-24)15-8-20-18-17(15)23-16(9-21-18)13-3-5-19-6-4-13/h3-9,11-12H,10H2,1-2H3,(H,20,21)
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n/an/a 91n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of ERK2 (unknown origin) using 5FAM-IPTSPITTTYFFFKKK as substrate after 1 hr by LC3K assay


Bioorg Med Chem Lett 25: 4728-32 (2015)

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


(Homo sapiens (Human))
BDBM50127088
PNG
(CHEMBL3628377)
Show SMILES CCn1cc(cn1)-c1c[nH]c2ncc(nc12)-c1ccncc1
Show InChI InChI=1S/C16H14N6/c1-2-22-10-12(7-20-22)13-8-18-16-15(13)21-14(9-19-16)11-3-5-17-6-4-11/h3-10H,2H2,1H3,(H,18,19)
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n/an/a 149n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of ERK2 (unknown origin) using 5FAM-IPTSPITTTYFFFKKK as substrate after 1 hr by LC3K assay


Bioorg Med Chem Lett 25: 4728-32 (2015)

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


(Homo sapiens (Human))
BDBM50127085
PNG
(CHEMBL3628373)
Show SMILES Clc1ccc(cn1)-c1c[nH]c2ncc(nc12)-c1ccncc1
Show InChI InChI=1S/C16H10ClN5/c17-14-2-1-11(7-19-14)12-8-20-16-15(12)22-13(9-21-16)10-3-5-18-6-4-10/h1-9H,(H,20,21)
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n/an/a 182n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of ERK2 (unknown origin) using 5FAM-IPTSPITTTYFFFKKK as substrate after 1 hr by LC3K assay


Bioorg Med Chem Lett 25: 4728-32 (2015)

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


(Homo sapiens (Human))
BDBM50127082
PNG
(CHEMBL3628370)
Show SMILES COc1ccc(cn1)-c1c[nH]c2ncc(nc12)-c1ccncc1
Show InChI InChI=1S/C17H13N5O/c1-23-15-3-2-12(8-19-15)13-9-20-17-16(13)22-14(10-21-17)11-4-6-18-7-5-11/h2-10H,1H3,(H,20,21)
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n/an/a 252n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of ERK2 (unknown origin) using 5FAM-IPTSPITTTYFFFKKK as substrate after 1 hr by LC3K assay


Bioorg Med Chem Lett 25: 4728-32 (2015)

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


(Homo sapiens (Human))
BDBM50127038
PNG
(CHEMBL3628368)
Show SMILES c1n[nH]cc1-c1cnc2[nH]cc(-c3cccnc3)c2n1
Show InChI InChI=1S/C14H10N6/c1-2-9(4-15-3-1)11-7-16-14-13(11)20-12(8-17-14)10-5-18-19-6-10/h1-8H,(H,16,17)(H,18,19)
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n/an/a 280n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of ERK2 (unknown origin) using 5FAM-IPTSPITTTYFFFKKK as substrate after 1 hr by LC3K assay


Bioorg Med Chem Lett 25: 4728-32 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50127087
PNG
(CHEMBL3628375)
Show SMILES c1n[nH]cc1-c1c[nH]c2ncc(nc12)-c1ccncc1
Show InChI InChI=1S/C14H10N6/c1-3-15-4-2-9(1)12-8-17-14-13(20-12)11(7-16-14)10-5-18-19-6-10/h1-8H,(H,16,17)(H,18,19)
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n/an/a 354n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of ERK2 (unknown origin) using 5FAM-IPTSPITTTYFFFKKK as substrate after 1 hr by LC3K assay


Bioorg Med Chem Lett 25: 4728-32 (2015)

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


(Homo sapiens (Human))
BDBM50127036
PNG
(CHEMBL3628366)
Show SMILES c1[nH]c2ncc(nc2c1-c1cccnc1)-c1cccnc1
Show InChI InChI=1S/C16H11N5/c1-3-11(7-17-5-1)13-9-19-16-15(13)21-14(10-20-16)12-4-2-6-18-8-12/h1-10H,(H,19,20)
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n/an/a 407n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of ERK2 (unknown origin) using 5FAM-IPTSPITTTYFFFKKK as substrate after 1 hr by LC3K assay


Bioorg Med Chem Lett 25: 4728-32 (2015)

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


(Homo sapiens (Human))
BDBM50127092
PNG
(CHEMBL3628381)
Show SMILES C(Cn1cc(cn1)-c1c[nH]c2ncc(nc12)-c1ccncc1)N1CCOCC1
Show InChI InChI=1S/C20H21N7O/c1-3-21-4-2-15(1)18-13-23-20-19(25-18)17(12-22-20)16-11-24-27(14-16)6-5-26-7-9-28-10-8-26/h1-4,11-14H,5-10H2,(H,22,23)
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n/an/a 416n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of ERK2 (unknown origin) using 5FAM-IPTSPITTTYFFFKKK as substrate after 1 hr by LC3K assay


Bioorg Med Chem Lett 25: 4728-32 (2015)

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


(Homo sapiens (Human))
BDBM50127083
PNG
(CHEMBL3628371)
Show SMILES Nc1ccc(cn1)-c1c[nH]c2ncc(nc12)-c1ccncc1
Show InChI InChI=1S/C16H12N6/c17-14-2-1-11(7-19-14)12-8-20-16-15(12)22-13(9-21-16)10-3-5-18-6-4-10/h1-9H,(H2,17,19)(H,20,21)
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n/an/a 468n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of ERK2 (unknown origin) using 5FAM-IPTSPITTTYFFFKKK as substrate after 1 hr by LC3K assay


Bioorg Med Chem Lett 25: 4728-32 (2015)

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


(Homo sapiens (Human))
BDBM50127091
PNG
(CHEMBL3628380)
Show SMILES OCCCn1cc(cn1)-c1c[nH]c2ncc(nc12)-c1ccncc1
Show InChI InChI=1S/C17H16N6O/c24-7-1-6-23-11-13(8-21-23)14-9-19-17-16(14)22-15(10-20-17)12-2-4-18-5-3-12/h2-5,8-11,24H,1,6-7H2,(H,19,20)
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n/an/a 623n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of ERK2 (unknown origin) using 5FAM-IPTSPITTTYFFFKKK as substrate after 1 hr by LC3K assay


Bioorg Med Chem Lett 25: 4728-32 (2015)

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


(Homo sapiens (Human))
BDBM50127084
PNG
(CHEMBL3628372)
Show SMILES Cc1ccc(cn1)-c1c[nH]c2ncc(nc12)-c1ccncc1
Show InChI InChI=1S/C17H13N5/c1-11-2-3-13(8-19-11)14-9-20-17-16(14)22-15(10-21-17)12-4-6-18-7-5-12/h2-10H,1H3,(H,20,21)
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n/an/a 634n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of ERK2 (unknown origin) using 5FAM-IPTSPITTTYFFFKKK as substrate after 1 hr by LC3K assay


Bioorg Med Chem Lett 25: 4728-32 (2015)

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


(Homo sapiens (Human))
BDBM50127086
PNG
(CHEMBL3628374)
Show SMILES c1cc([nH]n1)-c1c[nH]c2ncc(nc12)-c1ccncc1
Show InChI InChI=1S/C14H10N6/c1-4-15-5-2-9(1)12-8-17-14-13(19-12)10(7-16-14)11-3-6-18-20-11/h1-8H,(H,16,17)(H,18,20)
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n/an/a 940n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of ERK2 (unknown origin) using 5FAM-IPTSPITTTYFFFKKK as substrate after 1 hr by LC3K assay


Bioorg Med Chem Lett 25: 4728-32 (2015)

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


(Homo sapiens (Human))
BDBM50127081
PNG
(CHEMBL3628369)
Show SMILES c1n[nH]cc1-c1cnc2[nH]cc(-c3cncnc3)c2n1
Show InChI InChI=1S/C13H9N7/c1-8(2-15-7-14-1)10-5-16-13-12(10)20-11(6-17-13)9-3-18-19-4-9/h1-7H,(H,16,17)(H,18,19)
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n/an/a 1.05E+3n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of ERK2 (unknown origin) using 5FAM-IPTSPITTTYFFFKKK as substrate after 1 hr by LC3K assay


Bioorg Med Chem Lett 25: 4728-32 (2015)

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


(Homo sapiens (Human))
BDBM50127093
PNG
(CHEMBL3628382)
Show SMILES C(Cn1cc(cn1)-c1c[nH]c2ncc(nc12)-c1ccncc1)c1ccccc1
Show InChI InChI=1S/C22H18N6/c1-2-4-16(5-3-1)8-11-28-15-18(12-26-28)19-13-24-22-21(19)27-20(14-25-22)17-6-9-23-10-7-17/h1-7,9-10,12-15H,8,11H2,(H,24,25)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of ERK2 (unknown origin) using 5FAM-IPTSPITTTYFFFKKK as substrate after 1 hr by LC3K assay


Bioorg Med Chem Lett 25: 4728-32 (2015)

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


(Homo sapiens (Human))
BDBM50127037
PNG
(CHEMBL3628367)
Show SMILES c1[nH]c2ncc(nc2c1-c1cncnc1)-c1ccncc1
Show InChI InChI=1S/C15H10N6/c1-3-16-4-2-10(1)13-8-20-15-14(21-13)12(7-19-15)11-5-17-9-18-6-11/h1-9H,(H,19,20)
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n/an/a 2.20E+3n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of ERK2 (unknown origin) using 5FAM-IPTSPITTTYFFFKKK as substrate after 1 hr by LC3K assay


Bioorg Med Chem Lett 25: 4728-32 (2015)

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


(Homo sapiens (Human))
BDBM50127031
PNG
(CHEMBL3628361)
Show SMILES c1cc2nc(cnc2[nH]1)-c1cn[nH]c1
Show InChI InChI=1S/C9H7N5/c1-2-10-9-7(1)14-8(5-11-9)6-3-12-13-4-6/h1-5H,(H,10,11)(H,12,13)
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n/an/a 5.90E+3n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of ERK2 (unknown origin) using 5FAM-IPTSPITTTYFFFKKK as substrate after 1 hr by LC3K assay


Bioorg Med Chem Lett 25: 4728-32 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50127028
PNG
(CHEMBL3628256)
Show SMILES c1cc2nc(cnc2[nH]1)-c1ccncc1
Show InChI InChI=1S/C11H8N4/c1-4-12-5-2-8(1)10-7-14-11-9(15-10)3-6-13-11/h1-7H,(H,13,14)
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n/an/a 1.17E+4n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of ERK2 (unknown origin) using 5FAM-IPTSPITTTYFFFKKK as substrate after 1 hr by LC3K assay


Bioorg Med Chem Lett 25: 4728-32 (2015)

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


(Homo sapiens (Human))
BDBM50127027
PNG
(CHEMBL3628255)
Show SMILES Oc1ccc(cc1)-c1cnc2[nH]ccc2n1
Show InChI InChI=1S/C12H9N3O/c16-9-3-1-8(2-4-9)11-7-14-12-10(15-11)5-6-13-12/h1-7,16H,(H,13,14)
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n/an/a 1.24E+4n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of ERK2 (unknown origin) using 5FAM-IPTSPITTTYFFFKKK as substrate after 1 hr by LC3K assay


Bioorg Med Chem Lett 25: 4728-32 (2015)

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


(Homo sapiens (Human))
BDBM50127033
PNG
(CHEMBL3628363)
Show SMILES Cc1n[nH]c(C)c1-c1cnc2[nH]ccc2n1
Show InChI InChI=1S/C11H11N5/c1-6-10(7(2)16-15-6)9-5-13-11-8(14-9)3-4-12-11/h3-5H,1-2H3,(H,12,13)(H,15,16)
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n/an/a 1.40E+4n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of ERK2 (unknown origin) using 5FAM-IPTSPITTTYFFFKKK as substrate after 1 hr by LC3K assay


Bioorg Med Chem Lett 25: 4728-32 (2015)

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


(Homo sapiens (Human))
BDBM50127029
PNG
(CHEMBL3628257)
Show SMILES Fc1cc(ccn1)-c1cnc2[nH]ccc2n1
Show InChI InChI=1S/C11H7FN4/c12-10-5-7(1-3-13-10)9-6-15-11-8(16-9)2-4-14-11/h1-6H,(H,14,15)
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n/an/a 2.16E+4n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of ERK2 (unknown origin) using 5FAM-IPTSPITTTYFFFKKK as substrate after 1 hr by LC3K assay


Bioorg Med Chem Lett 25: 4728-32 (2015)

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


(Homo sapiens (Human))
BDBM50127034
PNG
(CHEMBL3628364)
Show SMILES Cc1n[nH]cc1-c1cnc2[nH]ccc2n1
Show InChI InChI=1S/C10H9N5/c1-6-7(4-13-15-6)9-5-12-10-8(14-9)2-3-11-10/h2-5H,1H3,(H,11,12)(H,13,15)
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n/an/a 2.22E+4n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of ERK2 (unknown origin) using 5FAM-IPTSPITTTYFFFKKK as substrate after 1 hr by LC3K assay


Bioorg Med Chem Lett 25: 4728-32 (2015)

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


(Homo sapiens (Human))
BDBM50127032
PNG
(CHEMBL3628362)
Show SMILES Cn1cc(cn1)-c1cnc2[nH]ccc2n1
Show InChI InChI=1S/C10H9N5/c1-15-6-7(4-13-15)9-5-12-10-8(14-9)2-3-11-10/h2-6H,1H3,(H,11,12)
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n/an/a 2.25E+4n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of ERK2 (unknown origin) using 5FAM-IPTSPITTTYFFFKKK as substrate after 1 hr by LC3K assay


Bioorg Med Chem Lett 25: 4728-32 (2015)

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


(Homo sapiens (Human))
BDBM50127026
PNG
(CHEMBL3628254)
Show SMILES Fc1ccc(cc1)-c1cnc2[nH]ccc2n1
Show InChI InChI=1S/C12H8FN3/c13-9-3-1-8(2-4-9)11-7-15-12-10(16-11)5-6-14-12/h1-7H,(H,14,15)
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n/an/a 2.97E+4n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of ERK2 (unknown origin) using 5FAM-IPTSPITTTYFFFKKK as substrate after 1 hr by LC3K assay


Bioorg Med Chem Lett 25: 4728-32 (2015)

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


(Homo sapiens (Human))
BDBM50127035
PNG
(CHEMBL3628365)
Show SMILES c1cc2nc(cnc2[nH]1)-c1ccc2cn[nH]c2c1
Show InChI InChI=1S/C13H9N5/c1-2-9-6-16-18-11(9)5-8(1)12-7-15-13-10(17-12)3-4-14-13/h1-7H,(H,14,15)(H,16,18)
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n/an/a 3.19E+4n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of ERK2 (unknown origin) using 5FAM-IPTSPITTTYFFFKKK as substrate after 1 hr by LC3K assay


Bioorg Med Chem Lett 25: 4728-32 (2015)

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


(Homo sapiens (Human))
BDBM50127024
PNG
(CHEMBL3628252)
Show SMILES NC(=O)c1ccc(cc1)-c1cnc2[nH]ccc2n1
Show InChI InChI=1S/C13H10N4O/c14-12(18)9-3-1-8(2-4-9)11-7-16-13-10(17-11)5-6-15-13/h1-7H,(H2,14,18)(H,15,16)
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n/an/a 4.41E+4n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of ERK2 (unknown origin) using 5FAM-IPTSPITTTYFFFKKK as substrate after 1 hr by LC3K assay


Bioorg Med Chem Lett 25: 4728-32 (2015)

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


(Homo sapiens (Human))
BDBM50127021
PNG
(CHEMBL3628249)
Show SMILES c1cc2nc(cnc2[nH]1)-c1ccccc1
Show InChI InChI=1S/C12H9N3/c1-2-4-9(5-3-1)11-8-14-12-10(15-11)6-7-13-12/h1-8H,(H,13,14)
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n/an/a 5.01E+4n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of ERK2 (unknown origin) using 5FAM-IPTSPITTTYFFFKKK as substrate after 1 hr by LC3K assay


Bioorg Med Chem Lett 25: 4728-32 (2015)

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


(Homo sapiens (Human))
BDBM50127030
PNG
(CHEMBL3628360)
Show SMILES c1cc2nc(cnc2[nH]1)-c1cccnc1
Show InChI InChI=1S/C11H8N4/c1-2-8(6-12-4-1)10-7-14-11-9(15-10)3-5-13-11/h1-7H,(H,13,14)
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n/an/a 7.15E+4n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of ERK2 (unknown origin) using 5FAM-IPTSPITTTYFFFKKK as substrate after 1 hr by LC3K assay


Bioorg Med Chem Lett 25: 4728-32 (2015)

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


(Homo sapiens (Human))
BDBM50127025
PNG
(CHEMBL3628253)
Show SMILES COc1ccc(cc1)-c1cnc2[nH]ccc2n1
Show InChI InChI=1S/C13H11N3O/c1-17-10-4-2-9(3-5-10)12-8-15-13-11(16-12)6-7-14-13/h2-8H,1H3,(H,14,15)
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n/an/a 8.97E+4n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of ERK2 (unknown origin) using 5FAM-IPTSPITTTYFFFKKK as substrate after 1 hr by LC3K assay


Bioorg Med Chem Lett 25: 4728-32 (2015)

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


(Homo sapiens (Human))
BDBM50127022
PNG
(CHEMBL3628250)
Show SMILES NC(=O)c1cccc(c1)-c1cnc2[nH]ccc2n1
Show InChI InChI=1S/C13H10N4O/c14-12(18)9-3-1-2-8(6-9)11-7-16-13-10(17-11)4-5-15-13/h1-7H,(H2,14,18)(H,15,16)
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n/an/a>2.00E+5n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of ERK2 (unknown origin) using 5FAM-IPTSPITTTYFFFKKK as substrate after 1 hr by LC3K assay


Bioorg Med Chem Lett 25: 4728-32 (2015)

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


(Homo sapiens (Human))
BDBM50127013
PNG
(CHEMBL3628247)
Show SMILES Brc1cnc2[nH]ccc2n1
Show InChI InChI=1S/C6H4BrN3/c7-5-3-9-6-4(10-5)1-2-8-6/h1-3H,(H,8,9)
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n/an/a>2.00E+5n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of ERK2 (unknown origin) using 5FAM-IPTSPITTTYFFFKKK as substrate after 1 hr by LC3K assay


Bioorg Med Chem Lett 25: 4728-32 (2015)

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


(Homo sapiens (Human))
BDBM50127023
PNG
(CHEMBL3628251)
Show SMILES Oc1cccc(c1)-c1cnc2[nH]ccc2n1
Show InChI InChI=1S/C12H9N3O/c16-9-3-1-2-8(6-9)11-7-14-12-10(15-11)4-5-13-12/h1-7,16H,(H,13,14)
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n/an/a>2.00E+5n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of ERK2 (unknown origin) using 5FAM-IPTSPITTTYFFFKKK as substrate after 1 hr by LC3K assay


Bioorg Med Chem Lett 25: 4728-32 (2015)

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


(Homo sapiens (Human))
BDBM50127013
PNG
(CHEMBL3628247)
Show SMILES Brc1cnc2[nH]ccc2n1
Show InChI InChI=1S/C6H4BrN3/c7-5-3-9-6-4(10-5)1-2-8-6/h1-3H,(H,8,9)
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n/an/an/a 3.19E+5n/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to ERK2 (unknown origin) by surface plasmon resonance assay


Bioorg Med Chem Lett 25: 4728-32 (2015)

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


(Homo sapiens (Human))
BDBM50127011
PNG
(CHEBI:35053 | ZOXAZOLAMINE | Zoxazolamine)
Show SMILES Nc1nc2cc(Cl)ccc2o1
Show InChI InChI=1S/C7H5ClN2O/c8-4-1-2-6-5(3-4)10-7(9)11-6/h1-3H,(H2,9,10)
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n/an/an/a 9.40E+5n/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to ERK2 (unknown origin) by surface plasmon resonance assay


Bioorg Med Chem Lett 25: 4728-32 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50127012
PNG
(CHEMBL3628246)
Show SMILES c1cc2nccnc2[nH]1
Show InChI InChI=1S/C6H5N3/c1-2-8-6-5(1)7-3-4-9-6/h1-4H,(H,8,9)
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n/an/an/a 3.43E+5n/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to ERK2 (unknown origin) by surface plasmon resonance assay


Bioorg Med Chem Lett 25: 4728-32 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50205363
PNG
(6-(benzylamino)purine | 6-BAP | 6-[(phenylmethyl)a...)
Show SMILES C(Nc1ncnc2nc[nH]c12)c1ccccc1
Show InChI InChI=1S/C12H11N5/c1-2-4-9(5-3-1)6-13-11-10-12(15-7-14-10)17-8-16-11/h1-5,7-8H,6H2,(H2,13,14,15,16,17)
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n/an/an/a 2.47E+5n/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to ERK2 (unknown origin) by surface plasmon resonance assay


Bioorg Med Chem Lett 25: 4728-32 (2015)

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


(Homo sapiens (Human))
BDBM50127014
PNG
(CHEMBL3628248)
Show SMILES Brc1c[nH]c2nccnc12
Show InChI InChI=1S/C6H4BrN3/c7-4-3-10-6-5(4)8-1-2-9-6/h1-3H,(H,9,10)
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n/an/an/a 9.70E+4n/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to ERK2 (unknown origin) by surface plasmon resonance assay


Bioorg Med Chem Lett 25: 4728-32 (2015)

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


(Homo sapiens (Human))
BDBM50127020
PNG
(CHEMBL3627726)
Show SMILES Brc1cnc2[nH]cc(I)c2n1
Show InChI InChI=1S/C6H3BrIN3/c7-4-2-10-6-5(11-4)3(8)1-9-6/h1-2H,(H,9,10)
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n/an/an/a 1.25E+5n/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to ERK2 (unknown origin) by surface plasmon resonance assay


Bioorg Med Chem Lett 25: 4728-32 (2015)

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