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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 = 'BDBM50387331'   
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))
BDBM50387331
PNG
(CHEMBL2046624)
Show SMILES Nc1ncccc1C(=O)c1cccc(n1)N1CCCNCC1
Show InChI InChI=1S/C16H19N5O/c17-16-12(4-2-8-19-16)15(22)13-5-1-6-14(20-13)21-10-3-7-18-9-11-21/h1-2,4-6,8,18H,3,7,9-11H2,(H2,17,19)
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
164n/an/an/an/an/an/an/an/a



Department of Chemistry at Vertex Pharmaceuticals (Europe) Ltd

Curated by ChEMBL


Assay Description
Inhibition of PKCtheta


Bioorg Med Chem Lett 22: 4645-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.114
BindingDB Entry DOI: 10.7270/Q2TM7C65
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50387331
PNG
(CHEMBL2046624)
Show SMILES Nc1ncccc1C(=O)c1cccc(n1)N1CCCNCC1
Show InChI InChI=1S/C16H19N5O/c17-16-12(4-2-8-19-16)15(22)13-5-1-6-14(20-13)21-10-3-7-18-9-11-21/h1-2,4-6,8,18H,3,7,9-11H2,(H2,17,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
164n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of full-length recombinant PKC theta (unknown origin) using ERMRPRKRQGSVRRRV as substrate after 60 mins by scintillation counting analysis...


J Med Chem 56: 1799-810 (2013)


Article DOI: 10.1021/jm301465a
BindingDB Entry DOI: 10.7270/Q2M046R2
More data for this
Ligand-Target Pair