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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 = 'BDBM204168'   
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))
BDBM204168
PNG
(US9242996, 242)
Show SMILES Cc1c(cnn1C)-c1cnc(N)c(c1)-c1ccc(C(=O)N[C@H](CO)c2cc(F)cc(CF)c2)c(F)c1 |r|
Show InChI InChI=1S/C26H24F3N5O2/c1-14-22(12-32-34(14)2)18-8-21(25(30)31-11-18)16-3-4-20(23(29)9-16)26(36)33-24(13-35)17-5-15(10-27)6-19(28)7-17/h3-9,11-12,24,35H,10,13H2,1-2H3,(H2,30,31)(H,33,36)/t24-/m1/s1
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 0.00875n/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 US9242996 (2016)


BindingDB Entry DOI: 10.7270/Q2XP73RN
More data for this
Ligand-Target Pair