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SMILES: Cn1cc(C2=C(C(=O)NC2=O)c2ccc3cc4CC(CN)CCn4c3c2)c2ccccc12

InChI Key: InChIKey=BSIMBBIIZZPATQ-UHFFFAOYSA-N

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 = 50375647   
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 epsilon type


(Homo sapiens (Human))
BDBM50375647
PNG
(CHEMBL541401)
Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2ccc3cc4CC(CN)CCn4c3c2)c2ccccc12 |t:4|
Show InChI InChI=1S/C26H24N4O2/c1-29-14-20(19-4-2-3-5-21(19)29)24-23(25(31)28-26(24)32)17-7-6-16-11-18-10-15(13-27)8-9-30(18)22(16)12-17/h2-7,11-12,14-15H,8-10,13,27H2,1H3,(H,28,31,32)
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 39n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of PKCepsilon


Proc Natl Acad Sci USA 104: 20523-8 (2007)

Checked by Author
Article DOI: 10.1073/pnas.0708800104
BindingDB Entry DOI: 10.7270/Q2DB82RH
More data for this
Ligand-Target Pair
Myosin light chain kinase, smooth muscle


(Homo sapiens (Human))
BDBM50375647
PNG
(CHEMBL541401)
Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2ccc3cc4CC(CN)CCn4c3c2)c2ccccc12 |t:4|
Show InChI InChI=1S/C26H24N4O2/c1-29-14-20(19-4-2-3-5-21(19)29)24-23(25(31)28-26(24)32)17-7-6-16-11-18-10-15(13-27)8-9-30(18)22(16)12-17/h2-7,11-12,14-15H,8-10,13,27H2,1H3,(H,28,31,32)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 3.70E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of myosin light chain kinase


Proc Natl Acad Sci USA 104: 20523-8 (2007)

Checked by Author
Article DOI: 10.1073/pnas.0708800104
BindingDB Entry DOI: 10.7270/Q2DB82RH
More data for this
Ligand-Target Pair