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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 = 'BDBM50427376'   
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))
BDBM50427376
PNG
(CHEMBL2326006)
Show SMILES COC[C@H]1CN(CCN1)c1ccc(F)c(n1)-c1n[nH]c2ncccc12 |r|
Show InChI InChI=1S/C17H19FN6O/c1-25-10-11-9-24(8-7-19-11)14-5-4-13(18)16(21-14)15-12-3-2-6-20-17(12)23-22-15/h2-6,11,19H,7-10H2,1H3,(H,20,22,23)/t11-/m1/s1
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
51n/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