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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 = 'BDBM244206'   
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))
BDBM244206
PNG
((r)-5,5-dimethyl-n-(1-(4-(methylsulfonyl)phenyl)et...)
Show SMILES C[C@@H](NC(=O)N1Cc2nc(NC3CCOCC3)ncc2C1(C)C)c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C23H31N5O4S/c1-15(16-5-7-18(8-6-16)33(4,30)31)25-22(29)28-14-20-19(23(28,2)3)13-24-21(27-20)26-17-9-11-32-12-10-17/h5-8,13,15,17H,9-12,14H2,1-4H3,(H,25,29)(H,24,26,27)/t15-/m1/s1
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 32n/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