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BDBM50427362 CHEMBL2326014

SMILES: C1CN(CCN1)c1cccc(n1)-c1n[nH]c2ncccc12

InChI Key: InChIKey=QQTVBLADGKPBRJ-UHFFFAOYSA-N

Data: 3 KI

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 3 hits for monomerid = 50427362   
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))
BDBM50427362
PNG
(CHEMBL2326014)
Show SMILES C1CN(CCN1)c1cccc(n1)-c1n[nH]c2ncccc12
Show InChI InChI=1S/C15H16N6/c1-4-12(14-11-3-2-6-17-15(11)20-19-14)18-13(5-1)21-9-7-16-8-10-21/h1-6,16H,7-10H2,(H,17,19,20)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
50n/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
Protein kinase C delta type


(Homo sapiens (Human))
BDBM50427362
PNG
(CHEMBL2326014)
Show SMILES C1CN(CCN1)c1cccc(n1)-c1n[nH]c2ncccc12
Show InChI InChI=1S/C15H16N6/c1-4-12(14-11-3-2-6-17-15(11)20-19-14)18-13(5-1)21-9-7-16-8-10-21/h1-6,16H,7-10H2,(H,17,19,20)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
526n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of PKC delta (unknown origin) using ERMRPRKRQGSVRRRV as substrate after 15 mins by spectrophotometry in presence of ATP


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
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50427362
PNG
(CHEMBL2326014)
Show SMILES C1CN(CCN1)c1cccc(n1)-c1n[nH]c2ncccc12
Show InChI InChI=1S/C15H16N6/c1-4-12(14-11-3-2-6-17-15(11)20-19-14)18-13(5-1)21-9-7-16-8-10-21/h1-6,16H,7-10H2,(H,17,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.23E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of PKC alpha (unknown origin) using RRRRRKGSFKRKA as substrate after 15 mins by spectrophotometry in presence of ATP


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