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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase 1' and Ligand = 'BDBM272795'   
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


(Mus musculus (Mouse))
BDBM272795
PNG
(6-benzyl-3-(2-methylpyridin-4-yl)-1,8-dihydro-7H-p...)
Show SMILES Cc1cc(ccn1)-c1n[nH]c2cc3[nH]c(=O)c(Cc4ccccc4)cc3cc12
Show InChI InChI=1S/C23H18N4O/c1-14-9-16(7-8-24-14)22-19-12-17-11-18(10-15-5-3-2-4-6-15)23(28)25-20(17)13-21(19)26-27-22/h2-9,11-13H,10H2,1H3,(H,25,28)(H,26,27)
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US Patent
n/an/a 0.200n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...


US Patent US9745307 (2017)


BindingDB Entry DOI: 10.7270/Q28G8NTK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM272795
PNG
(6-benzyl-3-(2-methylpyridin-4-yl)-1,8-dihydro-7H-p...)
Show SMILES Cc1cc(ccn1)-c1n[nH]c2cc3[nH]c(=O)c(Cc4ccccc4)cc3cc12
Show InChI InChI=1S/C23H18N4O/c1-14-9-16(7-8-24-14)22-19-12-17-11-18(10-15-5-3-2-4-6-15)23(28)25-20(17)13-21(19)26-27-22/h2-9,11-13H,10H2,1H3,(H,25,28)(H,26,27)
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n/an/a 150n/an/an/an/an/an/a



Kura Oncology, Inc.

US Patent


Assay Description
The inhibition of ERK activity by the compounds disclosed herein was determined using the Z′-LYTE kinase assay kit (Life Technologies) with a S...


US Patent US9624228 (2017)


BindingDB Entry DOI: 10.7270/Q22809PP
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM272795
PNG
(6-benzyl-3-(2-methylpyridin-4-yl)-1,8-dihydro-7H-p...)
Show SMILES Cc1cc(ccn1)-c1n[nH]c2cc3[nH]c(=O)c(Cc4ccccc4)cc3cc12
Show InChI InChI=1S/C23H18N4O/c1-14-9-16(7-8-24-14)22-19-12-17-11-18(10-15-5-3-2-4-6-15)23(28)25-20(17)13-21(19)26-27-22/h2-9,11-13H,10H2,1H3,(H,25,28)(H,26,27)
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n/an/a 150n/an/an/an/an/an/a



GSK



Assay Description
The inhibition of ERK activity by the compounds disclosed herein was determined using the Z′-LYTE kinase assay kit (Life Technologies) with a S...


Bioorg Med Chem Lett 18: 5018-22 (2008)


BindingDB Entry DOI: 10.7270/Q2GM89M0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Mus musculus (Mouse))
BDBM272795
PNG
(6-benzyl-3-(2-methylpyridin-4-yl)-1,8-dihydro-7H-p...)
Show SMILES Cc1cc(ccn1)-c1n[nH]c2cc3[nH]c(=O)c(Cc4ccccc4)cc3cc12
Show InChI InChI=1S/C23H18N4O/c1-14-9-16(7-8-24-14)22-19-12-17-11-18(10-15-5-3-2-4-6-15)23(28)25-20(17)13-21(19)26-27-22/h2-9,11-13H,10H2,1H3,(H,25,28)(H,26,27)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Mouse: Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound w...


US Patent US10759805 (2020)


BindingDB Entry DOI: 10.7270/Q26976N7
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM272795
PNG
(6-benzyl-3-(2-methylpyridin-4-yl)-1,8-dihydro-7H-p...)
Show SMILES Cc1cc(ccn1)-c1n[nH]c2cc3[nH]c(=O)c(Cc4ccccc4)cc3cc12
Show InChI InChI=1S/C23H18N4O/c1-14-9-16(7-8-24-14)22-19-12-17-11-18(10-15-5-3-2-4-6-15)23(28)25-20(17)13-21(19)26-27-22/h2-9,11-13H,10H2,1H3,(H,25,28)(H,26,27)
PDB
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n/an/a 200n/an/an/an/an/an/a



Merck, Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...


US Patent US10065967 (2018)


BindingDB Entry DOI: 10.7270/Q2CF9S47
More data for this
Ligand-Target Pair