BindingDB logo
myBDB logout

BDBM50427376 CHEMBL2326006

SMILES: COC[C@H]1CN(CCN1)c1ccc(F)c(n1)-c1n[nH]c2ncccc12

InChI Key: InChIKey=BKSQEOBYZCJPLI-LDGXTIHJNA-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 = 50427376   
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))
BDBM50427376
PNG
(CHEMBL2326006)
Show SMILES COC[C@H]1CN(CCN1)c1ccc(F)c(n1)-c1n[nH]c2ncccc12
Show InChI InChI=1/C17H19FN6O/c1-25-10-11-9-24(8-7-19-11)14-5-4-13(18)16(21-14)15-12-3-2-6-20-17(12)23-22-15/h2-6,11,19H,7-10H2,1H3,(H,20,22,23)/t11-/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
51n/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))
BDBM50427376
PNG
(CHEMBL2326006)
Show SMILES COC[C@H]1CN(CCN1)c1ccc(F)c(n1)-c1n[nH]c2ncccc12
Show InChI InChI=1/C17H19FN6O/c1-25-10-11-9-24(8-7-19-11)14-5-4-13(18)16(21-14)15-12-3-2-6-20-17(12)23-22-15/h2-6,11,19H,7-10H2,1H3,(H,20,22,23)/t11-/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.25E+3n/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