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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Protein kinase C theta type' and Ligand = 'BDBM50164188'   
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))
BDBM50164188
PNG
(CHEMBL3799399)
Show SMILES CC(C)CN1c2cc(ccc2C(=O)NC1(C)C)-n1c2cccnc2[nH]c1=O
Show InChI InChI=1S/C20H23N5O2/c1-12(2)11-24-16-10-13(7-8-14(16)18(26)23-20(24,3)4)25-15-6-5-9-21-17(15)22-19(25)27/h5-10,12H,11H2,1-4H3,(H,23,26)(H,21,22,27)
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PC cid
PC sid
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Article
PubMed
n/an/a 45n/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
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50164188
PNG
(CHEMBL3799399)
Show SMILES CC(C)CN1c2cc(ccc2C(=O)NC1(C)C)-n1c2cccnc2[nH]c1=O
Show InChI InChI=1S/C20H23N5O2/c1-12(2)11-24-16-10-13(7-8-14(16)18(26)23-20(24,3)4)25-15-6-5-9-21-17(15)22-19(25)27/h5-10,12H,11H2,1-4H3,(H,23,26)(H,21,22,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of PKCtheta in human Jurkat cells after overnight incubation by luminescence analysis


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