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BDBM50427384 CHEMBL2326017

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

InChI Key: InChIKey=WVLMGPVSSPPHSJ-OAHLLOKOSA-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 = 50427384   
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))
BDBM50427384
PNG
(CHEMBL2326017)
Show SMILES CC(C)[C@H]1CN(CCN1)c1cccc(n1)-c1n[nH]c2ncccc12 |r|
Show InChI InChI=1S/C18H22N6/c1-12(2)15-11-24(10-9-19-15)16-7-3-6-14(21-16)17-13-5-4-8-20-18(13)23-22-17/h3-8,12,15,19H,9-11H2,1-2H3,(H,20,22,23)/t15-/m1/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
15n/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))
BDBM50427384
PNG
(CHEMBL2326017)
Show SMILES CC(C)[C@H]1CN(CCN1)c1cccc(n1)-c1n[nH]c2ncccc12 |r|
Show InChI InChI=1S/C18H22N6/c1-12(2)15-11-24(10-9-19-15)16-7-3-6-14(21-16)17-13-5-4-8-20-18(13)23-22-17/h3-8,12,15,19H,9-11H2,1-2H3,(H,20,22,23)/t15-/m1/s1
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
132n/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