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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 = 'BDBM50391898'   
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))
BDBM50391898
PNG
(CHEMBL2147538)
Show SMILES CC(C)(N)CNc1nc(cc2cnccc12)-c1ccncc1
Show InChI InChI=1S/C17H19N5/c1-17(2,18)11-21-16-14-5-8-20-10-13(14)9-15(22-16)12-3-6-19-7-4-12/h3-10H,11,18H2,1-2H3,(H,21,22)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 141n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PKCtheta assessed as [33P]-ATP incorporation into tridecapeptide substrate after 60 mins by scintillation proximity a...


Bioorg Med Chem Lett 21: 7367-72 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.025
BindingDB Entry DOI: 10.7270/Q22J6CZ4
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50391898
PNG
(CHEMBL2147538)
Show SMILES CC(C)(N)CNc1nc(cc2cnccc12)-c1ccncc1
Show InChI InChI=1S/C17H19N5/c1-17(2,18)11-21-16-14-5-8-20-10-13(14)9-15(22-16)12-3-6-19-7-4-12/h3-10H,11,18H2,1-2H3,(H,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 141n/an/an/an/an/an/a



Novartis Horsham Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKC-theta after 60 mins by 33P-ATP incorporation assay


Bioorg Med Chem Lett 24: 4812-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.002
BindingDB Entry DOI: 10.7270/Q2MP54VV
More data for this
Ligand-Target Pair