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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 = 'BDBM243994'   
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))
BDBM243994
PNG
(2-((1,1-dioxidotetrahydrothiophen-3-yl)amino)-n-((...)
Show SMILES CC1(C)N(Cc2nc(NC3CCS(=O)(=O)C3)ncc12)C(=O)N[C@H](CO)c1ccccc1
Show InChI InChI=1S/C21H27N5O4S/c1-21(2)16-10-22-19(23-15-8-9-31(29,30)13-15)24-17(16)11-26(21)20(28)25-18(12-27)14-6-4-3-5-7-14/h3-7,10,15,18,27H,8-9,11-13H2,1-2H3,(H,25,28)(H,22,23,24)/t15?,18-/m1/s1
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 932n/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