new BindingDB logo
myBDB logout

BDBM50427385 CHEMBL2326016

SMILES: CC[C@@H]1CN(CCN1)c1cccc(n1)-c1n[nH]c2ncccc12

InChI Key: InChIKey=GZRXZIIXJPGKRW-GFCCVEGCSA-N

Data: 2 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 2 hits for monomerid = 50427385   
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))
BDBM50427385
PNG
(CHEMBL2326016)
Show SMILES CC[C@@H]1CN(CCN1)c1cccc(n1)-c1n[nH]c2ncccc12 |r|
Show InChI InChI=1S/C17H20N6/c1-2-12-11-23(10-9-18-12)15-7-3-6-14(20-15)16-13-5-4-8-19-17(13)22-21-16/h3-8,12,18H,2,9-11H2,1H3,(H,19,21,22)/t12-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
12n/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))
BDBM50427385
PNG
(CHEMBL2326016)
Show SMILES CC[C@@H]1CN(CCN1)c1cccc(n1)-c1n[nH]c2ncccc12 |r|
Show InChI InChI=1S/C17H20N6/c1-2-12-11-23(10-9-18-12)15-7-3-6-14(20-15)16-13-5-4-8-19-17(13)22-21-16/h3-8,12,18H,2,9-11H2,1H3,(H,19,21,22)/t12-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
81n/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