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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Protein kinase C theta type' and Ligand = 'BDBM50028439'   
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
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50028439
PNG
(CHEMBL3355119)
Show SMILES C[C@H](c1cc2N3[C@H](C)C(=O)NN=C3COc2cc1-c1ccccc1F)C1(C)CN(C)C1 |r,c:11|
Show InChI InChI=1S/C24H27FN4O2/c1-14(24(3)12-28(4)13-24)17-9-20-21(10-18(17)16-7-5-6-8-19(16)25)31-11-22-26-27-23(30)15(2)29(20)22/h5-10,14-15H,11-13H2,1-4H3,(H,27,30)/t14-,15-/m1/s1
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Article
PubMed
n/an/a 3n/an/an/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKCtheta expressed in Sf21 cells using Bio-cdc peptide substrate and ATP after 60 mins by time-resolved fluorescence ...


J Med Chem 58: 333-46 (2015)


Article DOI: 10.1021/jm5013006
BindingDB Entry DOI: 10.7270/Q2B859P2
More data for this
Ligand-Target Pair