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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase 1' and Ligand = 'BDBM337296'   
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))
BDBM337296
PNG
((R)-methyl(7-oxo-6-(1-phenylethyl)-5,6,7,8-tetrahy...)
Show SMILES COC(=O)NC(=N)c1cc2CN([C@H](C)c3ccccc3)C(=O)Nc2cc1N
Show InChI InChI=1S/C19H21N5O3/c1-11(12-6-4-3-5-7-12)24-10-13-8-14(17(21)23-19(26)27-2)15(20)9-16(13)22-18(24)25/h3-9,11H,10,20H2,1-2H3,(H,22,25)(H2,21,23,26)/t11-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.20n/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)

More data for this
Ligand-Target Pair