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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 = 'BDBM244199'   
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))
BDBM244199
PNG
(5,5-dimethyl-2-((tetrahydro-2h-pyran-4-yl)amino)-n...)
Show SMILES CC1(C)N(Cc2nc(NC3CCOCC3)ncc12)C(=O)NCc1ccc(SC(F)(F)F)cc1
Show InChI InChI=1S/C22H26F3N5O2S/c1-21(2)17-12-26-19(28-15-7-9-32-10-8-15)29-18(17)13-30(21)20(31)27-11-14-3-5-16(6-4-14)33-22(23,24)25/h3-6,12,15H,7-11,13H2,1-2H3,(H,27,31)(H,26,28,29)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 11n/an/an/an/a7.5n/a



Novartis AG

US Patent


Assay Description
Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...


US Patent US9546173 (2017)

More data for this
Ligand-Target Pair