BindingDB logo
myBDB logout

null

SMILES: CN1CCC(CC1)C(=O)N1Cc2c(NC(=O)c3ccsc3)n[nH]c2C1(C)C

InChI Key: InChIKey=YYOQLHOTDBEPGW-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 1 hit for monomerid = 50027427   
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-A1/Cyclin-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50027427
PNG
(CHEMBL1744453)
Show SMILES CN1CCC(CC1)C(=O)N1Cc2c(NC(=O)c3ccsc3)n[nH]c2C1(C)C
Show InChI InChI=1S/C19H25N5O2S/c1-19(2)15-14(10-24(19)18(26)12-4-7-23(3)8-5-12)16(22-21-15)20-17(25)13-6-9-27-11-13/h6,9,11-12H,4-5,7-8,10H2,1-3H3,(H2,20,21,22,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 5n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of human CDK2/cyclin A expressed in Escherichia coli BL21 by scintillation proximity assay


Bioorg Med Chem 18: 1844-53 (2010)


Article DOI: 10.1016/j.bmc.2010.01.042
BindingDB Entry DOI: 10.7270/Q21R6RG5
More data for this
Ligand-Target Pair