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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'MAP kinase p38' and Ligand = 'BDBM50364378'   
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
MAP kinase p38


(Homo sapiens (human))
BDBM50364378
PNG
(CHEMBL1950289)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3c(F)cc(F)cc3F)n([C@H]3CCOC3)c2n1
Show InChI InChI=1S/C21H23F3N6O2/c22-11-7-15(23)18(16(24)8-11)28-21-27-17-9-25-20(26-12-1-3-14(31)4-2-12)29-19(17)30(21)13-5-6-32-10-13/h7-9,12-14,31H,1-6,10H2,(H,27,28)(H,25,26,29)/t12-,13-,14-/m0/s1
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Article
PubMed
n/an/a 3.40E+3n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of p38alpha using myelin basic protein as substrate preincubated for 15 mins prior ATP addition measured after 60 mins by scintillation co...


Bioorg Med Chem Lett 22: 1433-8 (2012)

More data for this
Ligand-Target Pair