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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 = 'BDBM337293'   
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))
BDBM337293
PNG
(6-((R)-1-phenylethyl)-3-(((S)-1,1,1-trifluoropropa...)
Show SMILES C[C@H](NC(=N)c1cc2CN([C@H](C)c3ccccc3)C(=O)Nc2cc1N)C(F)(F)F
Show InChI InChI=1S/C20H22F3N5O/c1-11(13-6-4-3-5-7-13)28-10-14-8-15(16(24)9-17(14)27-19(28)29)18(25)26-12(2)20(21,22)23/h3-9,11-12H,10,24H2,1-2H3,(H2,25,26)(H,27,29)/t11-,12+/m1/s1
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 25n/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