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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase 1' and Ligand = 'BDBM272554'   
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))
BDBM272554
PNG
(US10065967, Example 20 | US9624228, Example 2 | US...)
Show SMILES C[C@@H](N1Cc2cc3c(n[nH]c3cc2NC1=O)-c1ccnc(C)c1)c1ccccc1
Show InChI InChI=1/C23H21N5O/c1-14-10-17(8-9-24-14)22-19-11-18-13-28(15(2)16-6-4-3-5-7-16)23(29)25-20(18)12-21(19)26-27-22/h3-12,15H,13H2,1-2H3,(H,25,29)(H,26,27)/t15-/s2
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PC sid
UniChem
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US Patent
n/an/a 0.300n/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)


Article DOI: 10.1021/jm9802259
BindingDB Entry DOI: 10.7270/Q2CF9S47
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM272554
PNG
(US10065967, Example 20 | US9624228, Example 2 | US...)
Show SMILES C[C@@H](N1Cc2cc3c(n[nH]c3cc2NC1=O)-c1ccnc(C)c1)c1ccccc1
Show InChI InChI=1/C23H21N5O/c1-14-10-17(8-9-24-14)22-19-11-18-13-28(15(2)16-6-4-3-5-7-16)23(29)25-20(18)12-21(19)26-27-22/h3-12,15H,13H2,1-2H3,(H,25,29)(H,26,27)/t15-/s2
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PC sid
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Article
US Patent
n/an/a 0.300n/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)


Article DOI: 10.1016/j.bmc.2006.03.042
BindingDB Entry DOI: 10.7270/Q28G8NTK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM272554
PNG
(US10065967, Example 20 | US9624228, Example 2 | US...)
Show SMILES C[C@@H](N1Cc2cc3c(n[nH]c3cc2NC1=O)-c1ccnc(C)c1)c1ccccc1
Show InChI InChI=1/C23H21N5O/c1-14-10-17(8-9-24-14)22-19-11-18-13-28(15(2)16-6-4-3-5-7-16)23(29)25-20(18)12-21(19)26-27-22/h3-12,15H,13H2,1-2H3,(H,25,29)(H,26,27)/t15-/s2
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n/an/a 0.5n/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)


Article DOI: 10.1016/j.bmc.2006.03.042
BindingDB Entry DOI: 10.7270/Q28G8NTK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM272554
PNG
(US10065967, Example 20 | US9624228, Example 2 | US...)
Show SMILES C[C@@H](N1Cc2cc3c(n[nH]c3cc2NC1=O)-c1ccnc(C)c1)c1ccccc1
Show InChI InChI=1/C23H21N5O/c1-14-10-17(8-9-24-14)22-19-11-18-13-28(15(2)16-6-4-3-5-7-16)23(29)25-20(18)12-21(19)26-27-22/h3-12,15H,13H2,1-2H3,(H,25,29)(H,26,27)/t15-/s2
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n/an/a<50n/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)


Article DOI: 10.1021/jm0600287
BindingDB Entry DOI: 10.7270/Q22809PP
More data for this
Ligand-Target Pair