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BDBM50028442 CHEMBL3355118

SMILES: C[C@H]1N2C(COc3cc(c(cc23)N(C)C2(C)CN(C)C2)-c2ccccc2F)=NNC1=O

InChI Key: InChIKey=IOPHLBCBVCDFRI-CQSZACIVSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50028442   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM50028442
PNG
(CHEMBL3355118)
Show SMILES C[C@H]1N2C(COc3cc(c(cc23)N(C)C2(C)CN(C)C2)-c2ccccc2F)=NNC1=O |r,c:30|
Show InChI InChI=1S/C23H26FN5O2/c1-14-22(30)26-25-21-11-31-20-9-16(15-7-5-6-8-17(15)24)18(10-19(20)29(14)21)28(4)23(2)12-27(3)13-23/h5-10,14H,11-13H2,1-4H3,(H,26,30)/t14-/m1/s1
PDB
MMDB

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Similars

Article
PubMed
n/an/a 4n/an/an/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKCtheta expressed in Sf21 cells using Bio-cdc peptide substrate and ATP after 60 mins by time-resolved fluorescence ...


J Med Chem 58: 333-46 (2015)


Article DOI: 10.1021/jm5013006
BindingDB Entry DOI: 10.7270/Q2B859P2
More data for this
Ligand-Target Pair