new BindingDB logo
myBDB logout

BDBM50025068 CHEMBL484555

SMILES: COCCNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc(C)n2C2CCCC2)cc1

InChI Key: InChIKey=QFILLEUWIHDSLQ-UHFFFAOYSA-N

Data: 1 IC50

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 = 50025068   
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 2


(Homo sapiens (Human))
BDBM50025068
PNG
(CHEMBL484555)
Show SMILES COCCNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc(C)n2C2CCCC2)cc1
Show InChI InChI=1S/C22H28N6O3S/c1-16-24-15-21(28(16)18-5-3-4-6-18)20-11-12-23-22(27-20)26-17-7-9-19(10-8-17)32(29,30)25-13-14-31-2/h7-12,15,18,25H,3-6,13-14H2,1-2H3,(H,23,26,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a<3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 18: 5487-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.024
BindingDB Entry DOI: 10.7270/Q2J9667K
More data for this
Ligand-Target Pair