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PubMed code 26144345

Compile data set for download or QSAR
Found 16 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))
BDBM50113657
PNG
(CHEMBL3604851)
Show SMILES Brc1cccc(Cn2ccc(cc2=O)N2CCc3[nH]nc(c3C2)-c2ccncc2)c1
Show InChI InChI=1S/C23H20BrN5O/c24-18-3-1-2-16(12-18)14-29-10-6-19(13-22(29)30)28-11-7-21-20(15-28)23(27-26-21)17-4-8-25-9-5-17/h1-6,8-10,12-13H,7,11,14-15H2,(H,26,27)
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n/an/a 0.200n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of ERK2 (unknown origin)


Bioorg Med Chem Lett 25: 3626-9 (2015)

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


(Homo sapiens (Human))
BDBM50113658
PNG
(CHEMBL3604850)
Show SMILES Clc1cccc(Cn2ccc(cc2=O)N2CCc3[nH]nc(c3C2)-c2ccncc2)c1
Show InChI InChI=1S/C23H20ClN5O/c24-18-3-1-2-16(12-18)14-29-10-6-19(13-22(29)30)28-11-7-21-20(15-28)23(27-26-21)17-4-8-25-9-5-17/h1-6,8-10,12-13H,7,11,14-15H2,(H,26,27)
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n/an/a 0.300n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of ERK2 (unknown origin)


Bioorg Med Chem Lett 25: 3626-9 (2015)

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


(Homo sapiens (Human))
BDBM50113656
PNG
(CHEMBL3604852)
Show SMILES CS(=O)(=O)c1cccc(Cn2ccc(cc2=O)N2CCc3[nH]nc(c3C2)-c2ccncc2)c1
Show InChI InChI=1S/C24H23N5O3S/c1-33(31,32)20-4-2-3-17(13-20)15-29-11-7-19(14-23(29)30)28-12-8-22-21(16-28)24(27-26-22)18-5-9-25-10-6-18/h2-7,9-11,13-14H,8,12,15-16H2,1H3,(H,26,27)
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n/an/a 0.400n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of ERK2 (unknown origin)


Bioorg Med Chem Lett 25: 3626-9 (2015)

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


(Homo sapiens (Human))
BDBM50113659
PNG
(CHEMBL3604849)
Show SMILES Fc1cccc(Cn2ccc(cc2=O)N2CCc3[nH]nc(c3C2)-c2ccncc2)c1
Show InChI InChI=1S/C23H20FN5O/c24-18-3-1-2-16(12-18)14-29-10-6-19(13-22(29)30)28-11-7-21-20(15-28)23(27-26-21)17-4-8-25-9-5-17/h1-6,8-10,12-13H,7,11,14-15H2,(H,26,27)
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n/an/a 0.5n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of ERK2 (unknown origin)


Bioorg Med Chem Lett 25: 3626-9 (2015)

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


(Homo sapiens (Human))
BDBM50113655
PNG
(CHEMBL3604853)
Show SMILES Cc1cccc(Cn2ccc(cc2=O)N2CCc3[nH]nc(c3C2)-c2ccncc2)c1
Show InChI InChI=1S/C24H23N5O/c1-17-3-2-4-18(13-17)15-29-11-7-20(14-23(29)30)28-12-8-22-21(16-28)24(27-26-22)19-5-9-25-10-6-19/h2-7,9-11,13-14H,8,12,15-16H2,1H3,(H,26,27)
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n/an/a 0.700n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of ERK2 (unknown origin)


Bioorg Med Chem Lett 25: 3626-9 (2015)

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


(Homo sapiens (Human))
BDBM50113654
PNG
(CHEMBL3604854)
Show SMILES Fc1ccc(Cn2ccc(cc2=O)N2CCc3[nH]nc(c3C2)-c2ccncc2)cc1
Show InChI InChI=1S/C23H20FN5O/c24-18-3-1-16(2-4-18)14-29-11-7-19(13-22(29)30)28-12-8-21-20(15-28)23(27-26-21)17-5-9-25-10-6-17/h1-7,9-11,13H,8,12,14-15H2,(H,26,27)
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n/an/a 1.80n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of ERK2 (unknown origin)


Bioorg Med Chem Lett 25: 3626-9 (2015)

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


(Homo sapiens (Human))
BDBM50113661
PNG
(CHEMBL3604847)
Show SMILES O=c1cc(ccn1Cc1ccccc1)N1CCc2[nH]nc(c2C1)-c1ccncc1
Show InChI InChI=1S/C23H21N5O/c29-22-14-19(8-12-28(22)15-17-4-2-1-3-5-17)27-13-9-21-20(16-27)23(26-25-21)18-6-10-24-11-7-18/h1-8,10-12,14H,9,13,15-16H2,(H,25,26)
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n/an/a 3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of ERK2 (unknown origin)


Bioorg Med Chem Lett 25: 3626-9 (2015)

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


(Homo sapiens (Human))
BDBM50113653
PNG
(CHEMBL3604855)
Show SMILES Brc1ccccc1Cn1ccc(cc1=O)N1CCc2[nH]nc(c2C1)-c1ccncc1
Show InChI InChI=1S/C23H20BrN5O/c24-20-4-2-1-3-17(20)14-29-11-7-18(13-22(29)30)28-12-8-21-19(15-28)23(27-26-21)16-5-9-25-10-6-16/h1-7,9-11,13H,8,12,14-15H2,(H,26,27)
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n/an/a 4.60n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of ERK2 (unknown origin)


Bioorg Med Chem Lett 25: 3626-9 (2015)

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


(Homo sapiens (Human))
BDBM50113652
PNG
(CHEMBL3604856)
Show SMILES O=c1cc(cc[nH]1)N1CCc2[nH]nc(c2C1)-c1ccncc1
Show InChI InChI=1S/C16H15N5O/c22-15-9-12(3-7-18-15)21-8-4-14-13(10-21)16(20-19-14)11-1-5-17-6-2-11/h1-3,5-7,9H,4,8,10H2,(H,18,22)(H,19,20)
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n/an/a 5n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of ERK2 (unknown origin)


Bioorg Med Chem Lett 25: 3626-9 (2015)

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


(Homo sapiens (Human))
BDBM50113672
PNG
(CHEMBL3604846)
Show SMILES Cn1cc(ccc1=O)-c1n[nH]c2CCN(Cc12)c1ccn(Cc2ccccc2)c(=O)c1
Show InChI InChI=1S/C24H23N5O2/c1-27-15-18(7-8-22(27)30)24-20-16-28(12-10-21(20)25-26-24)19-9-11-29(23(31)13-19)14-17-5-3-2-4-6-17/h2-9,11,13,15H,10,12,14,16H2,1H3,(H,25,26)
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n/an/a 7n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of ERK2 (unknown origin)


Bioorg Med Chem Lett 25: 3626-9 (2015)

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


(Homo sapiens (Human))
BDBM50113761
PNG
(CHEMBL3604844)
Show SMILES Fc1ccc(cc1)-c1n[nH]c2CCN(Cc12)c1ccn(Cc2ccccc2)c(=O)c1
Show InChI InChI=1S/C24H21FN4O/c25-19-8-6-18(7-9-19)24-21-16-28(13-11-22(21)26-27-24)20-10-12-29(23(30)14-20)15-17-4-2-1-3-5-17/h1-10,12,14H,11,13,15-16H2,(H,26,27)
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n/an/a 11n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of ERK2 (unknown origin)


Bioorg Med Chem Lett 25: 3626-9 (2015)

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


(Homo sapiens (Human))
BDBM50113660
PNG
(CHEMBL3604848)
Show SMILES O=c1cc(ccn1Cc1ccccc1)N1CCc2[nH]nc(c2C1)-c1cccnc1
Show InChI InChI=1S/C23H21N5O/c29-22-13-19(8-11-28(22)15-17-5-2-1-3-6-17)27-12-9-21-20(16-27)23(26-25-21)18-7-4-10-24-14-18/h1-8,10-11,13-14H,9,12,15-16H2,(H,25,26)
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n/an/a 76n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of ERK2 (unknown origin)


Bioorg Med Chem Lett 25: 3626-9 (2015)

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


(Homo sapiens (Human))
BDBM50113820
PNG
(CHEMBL3604843)
Show SMILES Fc1ccc(cc1)-c1n[nH]c2CCN(Cc12)c1ccccn1
Show InChI InChI=1S/C17H15FN4/c18-13-6-4-12(5-7-13)17-14-11-22(10-8-15(14)20-21-17)16-3-1-2-9-19-16/h1-7,9H,8,10-11H2,(H,20,21)
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n/an/a 89n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of ERK2 (unknown origin)


Bioorg Med Chem Lett 25: 3626-9 (2015)

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


(Homo sapiens (Human))
BDBM50113677
PNG
(CHEMBL3604845)
Show SMILES O=c1nccc([nH]1)-c1n[nH]c2CCN(Cc12)c1ccn(Cc2ccccc2)c(=O)c1
Show InChI InChI=1S/C22H20N6O2/c29-20-12-16(7-10-28(20)13-15-4-2-1-3-5-15)27-11-8-18-17(14-27)21(26-25-18)19-6-9-23-22(30)24-19/h1-7,9-10,12H,8,11,13-14H2,(H,25,26)(H,23,24,30)
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n/an/a 550n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of ERK2 (unknown origin)


Bioorg Med Chem Lett 25: 3626-9 (2015)

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


(Homo sapiens (Human))
BDBM50113827
PNG
(CHEMBL3604842)
Show SMILES CC(=O)N1CCc2[nH]nc(c2C1)-c1ccc(F)cc1
Show InChI InChI=1S/C14H14FN3O/c1-9(19)18-7-6-13-12(8-18)14(17-16-13)10-2-4-11(15)5-3-10/h2-5H,6-8H2,1H3,(H,16,17)
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n/an/a 984n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of ERK2 (unknown origin)


Bioorg Med Chem Lett 25: 3626-9 (2015)

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


(Homo sapiens (Human))
BDBM50113652
PNG
(CHEMBL3604856)
Show SMILES O=c1cc(cc[nH]1)N1CCc2[nH]nc(c2C1)-c1ccncc1
Show InChI InChI=1S/C16H15N5O/c22-15-9-12(3-7-18-15)21-8-4-14-13(10-21)16(20-19-14)11-1-5-17-6-2-11/h1-3,5-7,9H,4,8,10H2,(H,18,22)(H,19,20)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of ERK2 in human A375 cells assessed as phosphorylated of FRA level by Western analysis


Bioorg Med Chem Lett 25: 3626-9 (2015)

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