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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 = 'BDBM243993'   
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))
BDBM243993
PNG
((s)-2-((1-acetylazetidin-3-yl)amino)-n-(2-hydroxy-...)
Show SMILES CC(=O)N1CC(C1)Nc1ncc2c(CN(C(=O)N[C@H](CO)c3ccccc3)C2(C)C)n1
Show InChI InChI=1S/C22H28N6O3/c1-14(30)27-10-16(11-27)24-20-23-9-17-18(25-20)12-28(22(17,2)3)21(31)26-19(13-29)15-7-5-4-6-8-15/h4-9,16,19,29H,10-13H2,1-3H3,(H,26,31)(H,23,24,25)/t19-/m1/s1
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 5.58E+3n/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