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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 = 'BDBM50164176'   
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))
BDBM50164176
PNG
(CHEMBL3798713)
Show SMILES CCN1c2cc(ccc2C(=O)NC1(C)C)-c1c[nH]c2ncccc12
Show InChI InChI=1S/C19H20N4O/c1-4-23-16-10-12(7-8-14(16)18(24)22-19(23,2)3)15-11-21-17-13(15)6-5-9-20-17/h5-11H,4H2,1-3H3,(H,20,21)(H,22,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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Article
PubMed
n/an/a 60n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FLAG-tagged PKCtheta (unknown origin) expressed in baculovirus preincubated for 5 mins using fluorescein-PKC substrate measu...


Bioorg Med Chem 24: 2466-75 (2016)


Article DOI: 10.1016/j.bmc.2016.04.008
BindingDB Entry DOI: 10.7270/Q27W6F29
More data for this
Ligand-Target Pair