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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 = 'BDBM50028422'   
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))
BDBM50028422
PNG
(CHEMBL3355138)
Show SMILES COc1ccc(c(F)c1)-c1cc2OCC3=NNC(=O)[C@@H](C)N3c2cc1[C@@H]1CCN(C)C[C@@H]1C |r,t:15|
Show InChI InChI=1S/C25H29FN4O3/c1-14-12-29(3)8-7-17(14)19-10-22-23(33-13-24-27-28-25(31)15(2)30(22)24)11-20(19)18-6-5-16(32-4)9-21(18)26/h5-6,9-11,14-15,17H,7-8,12-13H2,1-4H3,(H,28,31)/t14-,15+,17+/m0/s1
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Similars

Article
PubMed
n/an/a 2n/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