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BDBM50390638 CHEMBL2069711

SMILES: NS(=O)(=O)c1cc(cs1)-c1nc2ccccc2s1

InChI Key: InChIKey=GKGZVFYMXSXLJJ-UHFFFAOYSA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer.

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 1 hit for monomerid = 50390638   
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
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50390638
PNG
(CHEMBL2069711)
Show SMILES NS(=O)(=O)c1cc(cs1)-c1nc2ccccc2s1
Show InChI InChI=1S/C11H8N2O2S3/c12-18(14,15)10-5-7(6-16-10)11-13-8-3-1-2-4-9(8)17-11/h1-6H,(H2,12,14,15)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 551n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Cdk5/p25 incubated for 15 mins by scintillation proximity assay


Bioorg Med Chem Lett 22: 5919-23 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.068
BindingDB Entry DOI: 10.7270/Q2G73FTN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)