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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase 1' and Ligand = 'BDBM318378'   
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))
BDBM318378
PNG
(US10301317, Example 335 | US9624228, Example 335)
Show SMILES CC(c1ccccc1)c1cc2cc3c(n[nH]c3cc2[nH]c1=O)-c1cccnc1C
Show InChI InChI=1S/C24H18N4O/c1-14(16-7-4-3-5-8-16)19-11-17-12-20-22(13-21(17)26-24(19)29)27-28-23(20)18-9-6-10-25-15(18)2/h3-14H,1-2H3
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<50n/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


(Homo sapiens (Human))
BDBM318378
PNG
(US10301317, Example 335 | US9624228, Example 335)
Show SMILES CC(c1ccccc1)c1cc2cc3c(n[nH]c3cc2[nH]c1=O)-c1cccnc1C
Show InChI InChI=1S/C24H18N4O/c1-14(16-7-4-3-5-8-16)19-11-17-12-20-22(13-21(17)26-24(19)29)27-28-23(20)18-9-6-10-25-15(18)2/h3-14H,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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)


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