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BDBM33209 2-methylsulfanyl imidazol-4-one, 8

SMILES: CSC1=N\C(=C/c2cccs2)C(=O)N1

InChI Key: InChIKey=XLBWHIQGWWWOJT-ALCCZGGFSA-N

Data: 2 Other

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 = 33209   
Target
(Institution)
LigandTarget
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
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM33209
PNG
(2-methylsulfanyl imidazol-4-one, 8)
Show SMILES CSC1=N\C(=C/c2cccs2)C(=O)N1 |t:2|
Show InChI InChI=1S/C9H8N2OS2/c1-13-9-10-7(8(12)11-9)5-6-3-2-4-14-6/h2-5H,1H3,(H,10,11,12)/b7-5-
PDB
MMDB

Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/an/an/an/an/an/a7.523



The Institute of Cancer Research



Assay Description
AlphaScreen (PerkinElmer Life Sciences, Inc) was performed in opaque 384-well polypropylene plates. The assay relies on hydrogel coated Donor and Acc...


J Med Chem 52: 4810-9 (2009)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM33209
PNG
(2-methylsulfanyl imidazol-4-one, 8)
Show SMILES CSC1=N\C(=C/c2cccs2)C(=O)N1 |t:2|
Show InChI InChI=1S/C9H8N2OS2/c1-13-9-10-7(8(12)11-9)5-6-3-2-4-14-6/h2-5H,1H3,(H,10,11,12)/b7-5-
PDB
MMDB

Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/an/an/an/an/an/a7.523



The Institute of Cancer Research



Assay Description
CHK kinase function was measured in a DELFIA assay in order to monitor phosphorylation of a CDC25C peptide using a specific phospho antibody. The enz...


J Med Chem 52: 4810-9 (2009)

More data for this
Ligand-Target Pair