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Compile Data Set for Download or QSAR

Found 38 hits with Last Name = 'shipps' and Initial = 'j'   
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))
BDBM50063572
PNG
(CHEMBL3398599)
Show SMILES CCc1cnc(nc1)-c1ccc(cc1)N1CCN(CC1)C(=O)CN1CC[C@H](C1)C(=O)Nc1ccc(O)c(Cl)c1 |r|
Show InChI InChI=1/C29H33ClN6O3/c1-2-20-16-31-28(32-17-20)21-3-6-24(7-4-21)35-11-13-36(14-12-35)27(38)19-34-10-9-22(18-34)29(39)33-23-5-8-26(37)25(30)15-23/h3-8,15-17,22,37H,2,9-14,18-19H2,1H3,(H,33,39)/t22-/s2
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n/an/a 5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of non-activated Erk2 (unknown origin) using activating Mek1 and peptide substrate by coupled Erk2 assay


Bioorg Med Chem Lett 25: 1627-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.049
BindingDB Entry DOI: 10.7270/Q2BK1F1S
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50063538
PNG
(CHEMBL3398605)
Show SMILES Oc1ccc(NC(=O)[C@@H]2CCN(CC(=O)N3CCN(CC3)c3ccc(cc3)-c3ncccn3)C2)cc1C(F)(F)F |r|
Show InChI InChI=1/C28H29F3N6O3/c29-28(30,31)23-16-21(4-7-24(23)38)34-27(40)20-8-11-35(17-20)18-25(39)37-14-12-36(13-15-37)22-5-2-19(3-6-22)26-32-9-1-10-33-26/h1-7,9-10,16,20,38H,8,11-15,17-18H2,(H,34,40)/t20-/s2
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n/an/a 5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of non-activated Erk2 (unknown origin) using activating Mek1 and peptide substrate by coupled Erk2 assay


Bioorg Med Chem Lett 25: 1627-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.049
BindingDB Entry DOI: 10.7270/Q2BK1F1S
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50063540
PNG
(CHEMBL3398603)
Show SMILES Oc1ccc(NC(=O)[C@@H]2CCN(CC(=O)N3CCN(CC3)c3ccc(cc3)-c3cnccn3)C2)cc1Cl |r|
Show InChI InChI=1/C27H29ClN6O3/c28-23-15-21(3-6-25(23)35)31-27(37)20-7-10-32(17-20)18-26(36)34-13-11-33(12-14-34)22-4-1-19(2-5-22)24-16-29-8-9-30-24/h1-6,8-9,15-16,20,35H,7,10-14,17-18H2,(H,31,37)/t20-/s2
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n/an/a 14n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of non-activated Erk2 (unknown origin) using activating Mek1 and peptide substrate by coupled Erk2 assay


Bioorg Med Chem Lett 25: 1627-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.049
BindingDB Entry DOI: 10.7270/Q2BK1F1S
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50063573
PNG
(CHEMBL3398598)
Show SMILES Oc1ccc(NC(=O)[C@@H]2CCN(CC(=O)N3CCN(CC3)c3ccc(cc3)-c3ncccn3)C2)cc1Cl |r|
Show InChI InChI=1/C27H29ClN6O3/c28-23-16-21(4-7-24(23)35)31-27(37)20-8-11-32(17-20)18-25(36)34-14-12-33(13-15-34)22-5-2-19(3-6-22)26-29-9-1-10-30-26/h1-7,9-10,16,20,35H,8,11-15,17-18H2,(H,31,37)/t20-/s2
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n/an/a 20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of non-activated Erk2 (unknown origin) using activating Mek1 and peptide substrate by coupled Erk2 assay


Bioorg Med Chem Lett 25: 1627-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.049
BindingDB Entry DOI: 10.7270/Q2BK1F1S
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50063571
PNG
(CHEMBL3398600)
Show SMILES Oc1ccc(NC(=O)[C@@H]2CCN(CC(=O)N3CCN(CC3)c3ccc(cc3)-c3ncc(F)cn3)C2)cc1Cl |r|
Show InChI InChI=1/C27H28ClFN6O3/c28-23-13-21(3-6-24(23)36)32-27(38)19-7-8-33(16-19)17-25(37)35-11-9-34(10-12-35)22-4-1-18(2-5-22)26-30-14-20(29)15-31-26/h1-6,13-15,19,36H,7-12,16-17H2,(H,32,38)/t19-/s2
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n/an/a 36n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of non-activated Erk2 (unknown origin) using activating Mek1 and peptide substrate by coupled Erk2 assay


Bioorg Med Chem Lett 25: 1627-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.049
BindingDB Entry DOI: 10.7270/Q2BK1F1S
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50063537
PNG
(CHEMBL3398606)
Show SMILES Oc1ccc(NC(=O)[C@@H]2CCN(CC(=O)N3CCN(CC3)c3ccc(cc3)-c3ncccn3)C2)cc1C1CC1 |r|
Show InChI InChI=1/C30H34N6O3/c37-27-9-6-24(18-26(27)21-2-3-21)33-30(39)23-10-13-34(19-23)20-28(38)36-16-14-35(15-17-36)25-7-4-22(5-8-25)29-31-11-1-12-32-29/h1,4-9,11-12,18,21,23,37H,2-3,10,13-17,19-20H2,(H,33,39)/t23-/s2
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n/an/a 36n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of non-activated Erk2 (unknown origin) using activating Mek1 and peptide substrate by coupled Erk2 assay


Bioorg Med Chem Lett 25: 1627-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.049
BindingDB Entry DOI: 10.7270/Q2BK1F1S
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50063569
PNG
(CHEMBL3398602)
Show SMILES COc1ncc(cn1)-c1ccc(cc1)N1CCN(CC1)C(=O)CN1CC[C@H](C1)C(=O)Nc1ccc(O)c(Cl)c1 |r|
Show InChI InChI=1/C28H31ClN6O4/c1-39-28-30-15-21(16-31-28)19-2-5-23(6-3-19)34-10-12-35(13-11-34)26(37)18-33-9-8-20(17-33)27(38)32-22-4-7-25(36)24(29)14-22/h2-7,14-16,20,36H,8-13,17-18H2,1H3,(H,32,38)/t20-/s2
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n/an/a 71n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of non-activated Erk2 (unknown origin) using activating Mek1 and peptide substrate by coupled Erk2 assay


Bioorg Med Chem Lett 25: 1627-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.049
BindingDB Entry DOI: 10.7270/Q2BK1F1S
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50063535
PNG
(CHEMBL3398608)
Show SMILES Oc1ccc(NC(=O)[C@@H]2CCN(CC(=O)N3CCN(CC3)c3ccc(cc3)-c3ncccn3)C2)cc1F |r|
Show InChI InChI=1/C27H29FN6O3/c28-23-16-21(4-7-24(23)35)31-27(37)20-8-11-32(17-20)18-25(36)34-14-12-33(13-15-34)22-5-2-19(3-6-22)26-29-9-1-10-30-26/h1-7,9-10,16,20,35H,8,11-15,17-18H2,(H,31,37)/t20-/s2
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n/an/a 71n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of non-activated Erk2 (unknown origin) using activating Mek1 and peptide substrate by coupled Erk2 assay


Bioorg Med Chem Lett 25: 1627-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.049
BindingDB Entry DOI: 10.7270/Q2BK1F1S
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50063570
PNG
(CHEMBL3398601)
Show SMILES Oc1ccc(NC(=O)[C@@H]2CCN(CC(=O)N3CCN(CC3)c3ccc(cc3)-c3cncnc3)C2)cc1Cl |r|
Show InChI InChI=1/C27H29ClN6O3/c28-24-13-22(3-6-25(24)35)31-27(37)20-7-8-32(16-20)17-26(36)34-11-9-33(10-12-34)23-4-1-19(2-5-23)21-14-29-18-30-15-21/h1-6,13-15,18,20,35H,7-12,16-17H2,(H,31,37)/t20-/s2
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n/an/a 73n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of non-activated Erk2 (unknown origin) using activating Mek1 and peptide substrate by coupled Erk2 assay


Bioorg Med Chem Lett 25: 1627-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.049
BindingDB Entry DOI: 10.7270/Q2BK1F1S
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50063536
PNG
(CHEMBL3398607)
Show SMILES CC(C)c1cc(NC(=O)[C@@H]2CCN(CC(=O)N3CCN(CC3)c3ccc(cc3)-c3ncccn3)C2)ccc1O |r|
Show InChI InChI=1/C30H36N6O3/c1-21(2)26-18-24(6-9-27(26)37)33-30(39)23-10-13-34(19-23)20-28(38)36-16-14-35(15-17-36)25-7-4-22(5-8-25)29-31-11-3-12-32-29/h3-9,11-12,18,21,23,37H,10,13-17,19-20H2,1-2H3,(H,33,39)/t23-/s2
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n/an/a 73n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of non-activated Erk2 (unknown origin) using activating Mek1 and peptide substrate by coupled Erk2 assay


Bioorg Med Chem Lett 25: 1627-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.049
BindingDB Entry DOI: 10.7270/Q2BK1F1S
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50063538
PNG
(CHEMBL3398605)
Show SMILES Oc1ccc(NC(=O)[C@@H]2CCN(CC(=O)N3CCN(CC3)c3ccc(cc3)-c3ncccn3)C2)cc1C(F)(F)F |r|
Show InChI InChI=1/C28H29F3N6O3/c29-28(30,31)23-16-21(4-7-24(23)38)34-27(40)20-8-11-35(17-20)18-25(39)37-14-12-36(13-15-37)22-5-2-19(3-6-22)26-32-9-1-10-33-26/h1-7,9-10,16,20,38H,8,11-15,17-18H2,(H,34,40)/t20-/s2
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n/an/a 100n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of activated Erk2 (unknown origin) by biochemical assay


Bioorg Med Chem Lett 25: 1627-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.049
BindingDB Entry DOI: 10.7270/Q2BK1F1S
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50063572
PNG
(CHEMBL3398599)
Show SMILES CCc1cnc(nc1)-c1ccc(cc1)N1CCN(CC1)C(=O)CN1CC[C@H](C1)C(=O)Nc1ccc(O)c(Cl)c1 |r|
Show InChI InChI=1/C29H33ClN6O3/c1-2-20-16-31-28(32-17-20)21-3-6-24(7-4-21)35-11-13-36(14-12-35)27(38)19-34-10-9-22(18-34)29(39)33-23-5-8-26(37)25(30)15-23/h3-8,15-17,22,37H,2,9-14,18-19H2,1H3,(H,33,39)/t22-/s2
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n/an/a 100n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of activated Erk2 (unknown origin) by biochemical assay


Bioorg Med Chem Lett 25: 1627-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.049
BindingDB Entry DOI: 10.7270/Q2BK1F1S
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50063540
PNG
(CHEMBL3398603)
Show SMILES Oc1ccc(NC(=O)[C@@H]2CCN(CC(=O)N3CCN(CC3)c3ccc(cc3)-c3cnccn3)C2)cc1Cl |r|
Show InChI InChI=1/C27H29ClN6O3/c28-23-15-21(3-6-25(23)35)31-27(37)20-7-10-32(17-20)18-26(36)34-13-11-33(12-14-34)22-4-1-19(2-5-22)24-16-29-8-9-30-24/h1-6,8-9,15-16,20,35H,7,10-14,17-18H2,(H,31,37)/t20-/s2
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n/an/a 130n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of activated Erk2 (unknown origin) by biochemical assay


Bioorg Med Chem Lett 25: 1627-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.049
BindingDB Entry DOI: 10.7270/Q2BK1F1S
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50063539
PNG
(CHEMBL3398604)
Show SMILES Oc1ccc(NC(=O)[C@@H]2CCN(CC(=O)N3CCN(CC3)c3ccc(cc3)-c3nccs3)C2)cc1Cl |r|
Show InChI InChI=1/C26H28ClN5O3S/c27-22-15-20(3-6-23(22)33)29-25(35)19-7-9-30(16-19)17-24(34)32-12-10-31(11-13-32)21-4-1-18(2-5-21)26-28-8-14-36-26/h1-6,8,14-15,19,33H,7,9-13,16-17H2,(H,29,35)/t19-/s2
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n/an/a 300n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of non-activated Erk2 (unknown origin) using activating Mek1 and peptide substrate by coupled Erk2 assay


Bioorg Med Chem Lett 25: 1627-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.049
BindingDB Entry DOI: 10.7270/Q2BK1F1S
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50063573
PNG
(CHEMBL3398598)
Show SMILES Oc1ccc(NC(=O)[C@@H]2CCN(CC(=O)N3CCN(CC3)c3ccc(cc3)-c3ncccn3)C2)cc1Cl |r|
Show InChI InChI=1/C27H29ClN6O3/c28-23-16-21(4-7-24(23)35)31-27(37)20-8-11-32(17-20)18-25(36)34-14-12-33(13-15-34)22-5-2-19(3-6-22)26-29-9-1-10-30-26/h1-7,9-10,16,20,35H,8,11-15,17-18H2,(H,31,37)/t20-/s2
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n/an/a 410n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of activated Erk2 (unknown origin) by biochemical assay


Bioorg Med Chem Lett 25: 1627-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.049
BindingDB Entry DOI: 10.7270/Q2BK1F1S
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50063574
PNG
(CHEMBL3398597)
Show SMILES Oc1ccc(NC(=O)[C@@H]2CCN(CC(=O)N3CCN(CC3)c3ccc(cc3)-c3cnco3)C2)cc1Cl |r|
Show InChI InChI=1/C26H28ClN5O4/c27-22-13-20(3-6-23(22)33)29-26(35)19-7-8-30(15-19)16-25(34)32-11-9-31(10-12-32)21-4-1-18(2-5-21)24-14-28-17-36-24/h1-6,13-14,17,19,33H,7-12,15-16H2,(H,29,35)/t19-/s2
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n/an/a 1.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of non-activated Erk2 (unknown origin) using activating Mek1 and peptide substrate by coupled Erk2 assay


Bioorg Med Chem Lett 25: 1627-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.049
BindingDB Entry DOI: 10.7270/Q2BK1F1S
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50063578
PNG
(CHEMBL3398594)
Show SMILES Oc1ccc(NC(=O)[C@@H]2CCN(CC(=O)N3CCN(CC3)c3ccc(cc3)-c3ccccc3F)C2)cc1Cl |r|
Show InChI InChI=1/C29H30ClFN4O3/c30-25-17-22(7-10-27(25)36)32-29(38)21-11-12-33(18-21)19-28(37)35-15-13-34(14-16-35)23-8-5-20(6-9-23)24-3-1-2-4-26(24)31/h1-10,17,21,36H,11-16,18-19H2,(H,32,38)/t21-/s2
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n/an/a 1.20E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of non-activated Erk2 (unknown origin) using activating Mek1 and peptide substrate by coupled Erk2 assay


Bioorg Med Chem Lett 25: 1627-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.049
BindingDB Entry DOI: 10.7270/Q2BK1F1S
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50063537
PNG
(CHEMBL3398606)
Show SMILES Oc1ccc(NC(=O)[C@@H]2CCN(CC(=O)N3CCN(CC3)c3ccc(cc3)-c3ncccn3)C2)cc1C1CC1 |r|
Show InChI InChI=1/C30H34N6O3/c37-27-9-6-24(18-26(27)21-2-3-21)33-30(39)23-10-13-34(19-23)20-28(38)36-16-14-35(15-17-36)25-7-4-22(5-8-25)29-31-11-1-12-32-29/h1,4-9,11-12,18,21,23,37H,2-3,10,13-17,19-20H2,(H,33,39)/t23-/s2
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n/an/a 1.76E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of activated Erk2 (unknown origin) by biochemical assay


Bioorg Med Chem Lett 25: 1627-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.049
BindingDB Entry DOI: 10.7270/Q2BK1F1S
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50063571
PNG
(CHEMBL3398600)
Show SMILES Oc1ccc(NC(=O)[C@@H]2CCN(CC(=O)N3CCN(CC3)c3ccc(cc3)-c3ncc(F)cn3)C2)cc1Cl |r|
Show InChI InChI=1/C27H28ClFN6O3/c28-23-13-21(3-6-24(23)36)32-27(38)19-7-8-33(16-19)17-25(37)35-11-9-34(10-12-35)22-4-1-18(2-5-22)26-30-14-20(29)15-31-26/h1-6,13-15,19,36H,7-12,16-17H2,(H,32,38)/t19-/s2
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n/an/a 1.76E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of activated Erk2 (unknown origin) by biochemical assay


Bioorg Med Chem Lett 25: 1627-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.049
BindingDB Entry DOI: 10.7270/Q2BK1F1S
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50063536
PNG
(CHEMBL3398607)
Show SMILES CC(C)c1cc(NC(=O)[C@@H]2CCN(CC(=O)N3CCN(CC3)c3ccc(cc3)-c3ncccn3)C2)ccc1O |r|
Show InChI InChI=1/C30H36N6O3/c1-21(2)26-18-24(6-9-27(26)37)33-30(39)23-10-13-34(19-23)20-28(38)36-16-14-35(15-17-36)25-7-4-22(5-8-25)29-31-11-3-12-32-29/h3-9,11-12,18,21,23,37H,10,13-17,19-20H2,1-2H3,(H,33,39)/t23-/s2
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n/an/a 1.80E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of activated Erk2 (unknown origin) by biochemical assay


Bioorg Med Chem Lett 25: 1627-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.049
BindingDB Entry DOI: 10.7270/Q2BK1F1S
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50063570
PNG
(CHEMBL3398601)
Show SMILES Oc1ccc(NC(=O)[C@@H]2CCN(CC(=O)N3CCN(CC3)c3ccc(cc3)-c3cncnc3)C2)cc1Cl |r|
Show InChI InChI=1/C27H29ClN6O3/c28-24-13-22(3-6-25(24)35)31-27(37)20-7-8-32(16-20)17-26(36)34-11-9-33(10-12-34)23-4-1-19(2-5-23)21-14-29-18-30-15-21/h1-6,13-15,18,20,35H,7-12,16-17H2,(H,31,37)/t20-/s2
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n/an/a 1.80E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of activated Erk2 (unknown origin) by biochemical assay


Bioorg Med Chem Lett 25: 1627-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.049
BindingDB Entry DOI: 10.7270/Q2BK1F1S
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50063577
PNG
(CHEMBL3398593)
Show SMILES Oc1ccc(NC(=O)[C@@H]2CCN(CC(=O)N3CCN(CC3)c3ccc(cc3)-c3cccc(F)c3)C2)cc1Cl |r|
Show InChI InChI=1/C29H30ClFN4O3/c30-26-17-24(6-9-27(26)36)32-29(38)22-10-11-33(18-22)19-28(37)35-14-12-34(13-15-35)25-7-4-20(5-8-25)21-2-1-3-23(31)16-21/h1-9,16-17,22,36H,10-15,18-19H2,(H,32,38)/t22-/s2
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n/an/a 2.20E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of non-activated Erk2 (unknown origin) using activating Mek1 and peptide substrate by coupled Erk2 assay


Bioorg Med Chem Lett 25: 1627-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.049
BindingDB Entry DOI: 10.7270/Q2BK1F1S
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50063576
PNG
(CHEMBL3398595)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)N1CCN(CC1)C(=O)CN1CC[C@H](C1)C(=O)Nc1ccc(O)c(Cl)c1 |r|
Show InChI InChI=1/C30H33ClN4O4/c1-39-26-9-4-22(5-10-26)21-2-7-25(8-3-21)34-14-16-35(17-15-34)29(37)20-33-13-12-23(19-33)30(38)32-24-6-11-28(36)27(31)18-24/h2-11,18,23,36H,12-17,19-20H2,1H3,(H,32,38)/t23-/s2
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n/an/a 2.30E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of non-activated Erk2 (unknown origin) using activating Mek1 and peptide substrate by coupled Erk2 assay


Bioorg Med Chem Lett 25: 1627-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.049
BindingDB Entry DOI: 10.7270/Q2BK1F1S
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50063575
PNG
(CHEMBL3398596)
Show SMILES Oc1ccc(NC(=O)[C@@H]2CCN(CC(=O)N3CCN(CC3)c3ccc(cc3)-c3cccs3)C2)cc1Cl |r|
Show InChI InChI=1/C27H29ClN4O3S/c28-23-16-21(5-8-24(23)33)29-27(35)20-9-10-30(17-20)18-26(34)32-13-11-31(12-14-32)22-6-3-19(4-7-22)25-2-1-15-36-25/h1-8,15-16,20,33H,9-14,17-18H2,(H,29,35)/t20-/s2
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n/an/a 2.50E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of non-activated Erk2 (unknown origin) using activating Mek1 and peptide substrate by coupled Erk2 assay


Bioorg Med Chem Lett 25: 1627-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.049
BindingDB Entry DOI: 10.7270/Q2BK1F1S
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50063535
PNG
(CHEMBL3398608)
Show SMILES Oc1ccc(NC(=O)[C@@H]2CCN(CC(=O)N3CCN(CC3)c3ccc(cc3)-c3ncccn3)C2)cc1F |r|
Show InChI InChI=1/C27H29FN6O3/c28-23-16-21(4-7-24(23)35)31-27(37)20-8-11-32(17-20)18-25(36)34-14-12-33(13-15-34)22-5-2-19(3-6-22)26-29-9-1-10-30-26/h1-7,9-10,16,20,35H,8,11-15,17-18H2,(H,31,37)/t20-/s2
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n/an/a 2.67E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of activated Erk2 (unknown origin) by biochemical assay


Bioorg Med Chem Lett 25: 1627-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.049
BindingDB Entry DOI: 10.7270/Q2BK1F1S
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50063569
PNG
(CHEMBL3398602)
Show SMILES COc1ncc(cn1)-c1ccc(cc1)N1CCN(CC1)C(=O)CN1CC[C@H](C1)C(=O)Nc1ccc(O)c(Cl)c1 |r|
Show InChI InChI=1/C28H31ClN6O4/c1-39-28-30-15-21(16-31-28)19-2-5-23(6-3-19)34-10-12-35(13-11-34)26(37)18-33-9-8-20(17-33)27(38)32-22-4-7-25(36)24(29)14-22/h2-7,14-16,20,36H,8-13,17-18H2,1H3,(H,32,38)/t20-/s2
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n/an/a 2.67E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of activated Erk2 (unknown origin) by biochemical assay


Bioorg Med Chem Lett 25: 1627-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.049
BindingDB Entry DOI: 10.7270/Q2BK1F1S
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50030888
PNG
(CHEMBL3356121)
Show SMILES Oc1ccc(NC(=O)[C@@H]2CCN(CC(=O)N3CCN(CC3)c3ccc(cc3)-c3ccccc3)C2)cc1Cl |r|
Show InChI InChI=1/C29H31ClN4O3/c30-26-18-24(8-11-27(26)35)31-29(37)23-12-13-32(19-23)20-28(36)34-16-14-33(15-17-34)25-9-6-22(7-10-25)21-4-2-1-3-5-21/h1-11,18,23,35H,12-17,19-20H2,(H,31,37)/t23-/s2
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n/an/a 4.40E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of activated Erk2 (unknown origin) by biochemical assay


Bioorg Med Chem Lett 25: 1627-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.049
BindingDB Entry DOI: 10.7270/Q2BK1F1S
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50030888
PNG
(CHEMBL3356121)
Show SMILES Oc1ccc(NC(=O)[C@@H]2CCN(CC(=O)N3CCN(CC3)c3ccc(cc3)-c3ccccc3)C2)cc1Cl |r|
Show InChI InChI=1/C29H31ClN4O3/c30-26-18-24(8-11-27(26)35)31-29(37)23-12-13-32(19-23)20-28(36)34-16-14-33(15-17-34)25-9-6-22(7-10-25)21-4-2-1-3-5-21/h1-11,18,23,35H,12-17,19-20H2,(H,31,37)/t23-/s2
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n/an/a 5.60E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of non-activated Erk2 (unknown origin) using activating Mek1 and peptide substrate by coupled Erk2 assay


Bioorg Med Chem Lett 25: 1627-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.049
BindingDB Entry DOI: 10.7270/Q2BK1F1S
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50063534
PNG
(CHEMBL3398609)
Show SMILES CC(=O)c1ccc(cc1)N1CCN(CC1)C(=O)CN1CC[C@H](C1)C(=O)Nc1ccc(O)cc1 |r|
Show InChI InChI=1/C25H30N4O4/c1-18(30)19-2-6-22(7-3-19)28-12-14-29(15-13-28)24(32)17-27-11-10-20(16-27)25(33)26-21-4-8-23(31)9-5-21/h2-9,20,31H,10-17H2,1H3,(H,26,33)/t20-/s2
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n/an/a 6.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of activated Erk2 (unknown origin) by biochemical assay


Bioorg Med Chem Lett 25: 1627-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.049
BindingDB Entry DOI: 10.7270/Q2BK1F1S
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50063539
PNG
(CHEMBL3398604)
Show SMILES Oc1ccc(NC(=O)[C@@H]2CCN(CC(=O)N3CCN(CC3)c3ccc(cc3)-c3nccs3)C2)cc1Cl |r|
Show InChI InChI=1/C26H28ClN5O3S/c27-22-15-20(3-6-23(22)33)29-25(35)19-7-9-30(16-19)17-24(34)32-12-10-31(11-13-32)21-4-1-18(2-5-21)26-28-8-14-36-26/h1-6,8,14-15,19,33H,7,9-13,16-17H2,(H,29,35)/t19-/s2
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n/an/a 9.34E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of activated Erk2 (unknown origin) by biochemical assay


Bioorg Med Chem Lett 25: 1627-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.049
BindingDB Entry DOI: 10.7270/Q2BK1F1S
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50063574
PNG
(CHEMBL3398597)
Show SMILES Oc1ccc(NC(=O)[C@@H]2CCN(CC(=O)N3CCN(CC3)c3ccc(cc3)-c3cnco3)C2)cc1Cl |r|
Show InChI InChI=1/C26H28ClN5O4/c27-22-13-20(3-6-23(22)33)29-26(35)19-7-8-30(15-19)16-25(34)32-11-9-31(10-12-32)21-4-1-18(2-5-21)24-14-28-17-36-24/h1-6,13-14,17,19,33H,7-12,15-16H2,(H,29,35)/t19-/s2
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n/an/a 1.20E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of activated Erk2 (unknown origin) by biochemical assay


Bioorg Med Chem Lett 25: 1627-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.049
BindingDB Entry DOI: 10.7270/Q2BK1F1S
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50030882
PNG
(CHEMBL3356114)
Show SMILES CC(=O)c1ccc(cc1)N1CCN(CC1)C(=O)CN1CCC(C1)C(=O)Nc1ccc(O)cc1
Show InChI InChI=1/C25H30N4O4/c1-18(30)19-2-6-22(7-3-19)28-12-14-29(15-13-28)24(32)17-27-11-10-20(16-27)25(33)26-21-4-8-23(31)9-5-21/h2-9,20,31H,10-17H2,1H3,(H,26,33)
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n/an/a 1.52E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
ATP competitive inhibition of activated Erk2 (unknown origin) by biochemical assay


Bioorg Med Chem Lett 25: 1627-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.049
BindingDB Entry DOI: 10.7270/Q2BK1F1S
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50063533
PNG
(CHEMBL3398592)
Show SMILES Oc1ccc(NC(=O)[C@@H]2CCN(CC(=O)N3CCN(CC3)c3ccc(cc3)-c3ccc(F)cc3)C2)cc1Cl |r|
Show InChI InChI=1/C29H30ClFN4O3/c30-26-17-24(7-10-27(26)36)32-29(38)22-11-12-33(18-22)19-28(37)35-15-13-34(14-16-35)25-8-3-21(4-9-25)20-1-5-23(31)6-2-20/h1-10,17,22,36H,11-16,18-19H2,(H,32,38)/t22-/s2
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n/an/a 1.90E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of non-activated Erk2 (unknown origin) using activating Mek1 and peptide substrate by coupled Erk2 assay


Bioorg Med Chem Lett 25: 1627-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.049
BindingDB Entry DOI: 10.7270/Q2BK1F1S
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50063575
PNG
(CHEMBL3398596)
Show SMILES Oc1ccc(NC(=O)[C@@H]2CCN(CC(=O)N3CCN(CC3)c3ccc(cc3)-c3cccs3)C2)cc1Cl |r|
Show InChI InChI=1/C27H29ClN4O3S/c28-23-16-21(5-8-24(23)33)29-27(35)20-9-10-30(17-20)18-26(34)32-13-11-31(12-14-32)22-6-3-19(4-7-22)25-2-1-15-36-25/h1-8,15-16,20,33H,9-14,17-18H2,(H,29,35)/t20-/s2
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n/an/a 2.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of activated Erk2 (unknown origin) by biochemical assay


Bioorg Med Chem Lett 25: 1627-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.049
BindingDB Entry DOI: 10.7270/Q2BK1F1S
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50063576
PNG
(CHEMBL3398595)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)N1CCN(CC1)C(=O)CN1CC[C@H](C1)C(=O)Nc1ccc(O)c(Cl)c1 |r|
Show InChI InChI=1/C30H33ClN4O4/c1-39-26-9-4-22(5-10-26)21-2-7-25(8-3-21)34-14-16-35(17-15-34)29(37)20-33-13-12-23(19-33)30(38)32-24-6-11-28(36)27(31)18-24/h2-11,18,23,36H,12-17,19-20H2,1H3,(H,32,38)/t23-/s2
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n/an/a 5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of activated Erk2 (unknown origin) by biochemical assay


Bioorg Med Chem Lett 25: 1627-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.049
BindingDB Entry DOI: 10.7270/Q2BK1F1S
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50063533
PNG
(CHEMBL3398592)
Show SMILES Oc1ccc(NC(=O)[C@@H]2CCN(CC(=O)N3CCN(CC3)c3ccc(cc3)-c3ccc(F)cc3)C2)cc1Cl |r|
Show InChI InChI=1/C29H30ClFN4O3/c30-26-17-24(7-10-27(26)36)32-29(38)22-11-12-33(18-22)19-28(37)35-15-13-34(14-16-35)25-8-3-21(4-9-25)20-1-5-23(31)6-2-20/h1-10,17,22,36H,11-16,18-19H2,(H,32,38)/t22-/s2
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n/an/a 1.00E+5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of activated Erk2 (unknown origin) by biochemical assay


Bioorg Med Chem Lett 25: 1627-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.049
BindingDB Entry DOI: 10.7270/Q2BK1F1S
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50030882
PNG
(CHEMBL3356114)
Show SMILES CC(=O)c1ccc(cc1)N1CCN(CC1)C(=O)CN1CCC(C1)C(=O)Nc1ccc(O)cc1
Show InChI InChI=1/C25H30N4O4/c1-18(30)19-2-6-22(7-3-19)28-12-14-29(15-13-28)24(32)17-27-11-10-20(16-27)25(33)26-21-4-8-23(31)9-5-21/h2-9,20,31H,10-17H2,1H3,(H,26,33)
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n/an/an/a 1.06E+3n/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to non-phosphorylated Erk2 (unknown origin) by TdF assay


Bioorg Med Chem Lett 25: 1627-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.049
BindingDB Entry DOI: 10.7270/Q2BK1F1S
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50030882
PNG
(CHEMBL3356114)
Show SMILES CC(=O)c1ccc(cc1)N1CCN(CC1)C(=O)CN1CCC(C1)C(=O)Nc1ccc(O)cc1
Show InChI InChI=1/C25H30N4O4/c1-18(30)19-2-6-22(7-3-19)28-12-14-29(15-13-28)24(32)17-27-11-10-20(16-27)25(33)26-21-4-8-23(31)9-5-21/h2-9,20,31H,10-17H2,1H3,(H,26,33)
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n/an/an/a 1.90E+3n/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to activated Erk2 (unknown origin) by TdF assay


Bioorg Med Chem Lett 25: 1627-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.049
BindingDB Entry DOI: 10.7270/Q2BK1F1S
More data for this
Ligand-Target Pair