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BDBM50049445 CHEMBL3356466

SMILES: CC(C)c1cc2OCC3=NNC(=O)C(C)N3c2cc1NC1CNC1

InChI Key: InChIKey=DSRVSVZSWXAEBP-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50049445   
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))
BDBM50049445
PNG
(CHEMBL3356466)
Show SMILES CC(C)c1cc2OCC3=NNC(=O)C(C)N3c2cc1NC1CNC1 |t:8|
Show InChI InChI=1S/C17H23N5O2/c1-9(2)12-4-15-14(5-13(12)19-11-6-18-7-11)22-10(3)17(23)21-20-16(22)8-24-15/h4-5,9-11,18-19H,6-8H2,1-3H3,(H,21,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 130n/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: 222-36 (2015)


Article DOI: 10.1021/jm500669m
BindingDB Entry DOI: 10.7270/Q22F7Q2Z
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50049445
PNG
(CHEMBL3356466)
Show SMILES CC(C)c1cc2OCC3=NNC(=O)C(C)N3c2cc1NC1CNC1 |t:8|
Show InChI InChI=1S/C17H23N5O2/c1-9(2)12-4-15-14(5-13(12)19-11-6-18-7-11)22-10(3)17(23)21-20-16(22)8-24-15/h4-5,9-11,18-19H,6-8H2,1-3H3,(H,21,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 2.20E+3n/an/an/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


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


J Med Chem 58: 222-36 (2015)


Article DOI: 10.1021/jm500669m
BindingDB Entry DOI: 10.7270/Q22F7Q2Z
More data for this
Ligand-Target Pair