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BDBM50097506 CHEMBL3586047

SMILES: CN1CCC[C@@H](CNc2nc(Nc3cccc(c3)-n3cc(C)cn3)ncc2F)C1

InChI Key: InChIKey=XHTFKFQFEADGGR-INIZCTEOSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50097506   
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))
BDBM50097506
PNG
(CHEMBL3586047)
Show SMILES CN1CCC[C@@H](CNc2nc(Nc3cccc(c3)-n3cc(C)cn3)ncc2F)C1 |r|
Show InChI InChI=1S/C21H26FN7/c1-15-10-25-29(13-15)18-7-3-6-17(9-18)26-21-24-12-19(22)20(27-21)23-11-16-5-4-8-28(2)14-16/h3,6-7,9-10,12-13,16H,4-5,8,11,14H2,1-2H3,(H2,23,24,26,27)/t16-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 32n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human full length PKCtheta assessed as fluorescence intensity after 60 mins


Bioorg Med Chem 23: 3269-77 (2015)


Article DOI: 10.1016/j.bmc.2015.04.050
BindingDB Entry DOI: 10.7270/Q2HM5B66
More data for this
Ligand-Target Pair