BindingDB logo
myBDB logout

null

SMILES: CC(C)(C)ONC(=O)Nc1csc(Cc2c(Cl)cccc2Cl)n1

InChI Key: InChIKey=VQNYFORDDPCSSR-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 = 50133579   
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))
BDBM50133579
PNG
(CHEMBL117950 | N-(tert-butoxy)-N'-[2-(2,6-dichloro...)
Show SMILES CC(C)(C)ONC(=O)Nc1csc(Cc2c(Cl)cccc2Cl)n1
Show InChI InChI=1S/C15H17Cl2N3O2S/c1-15(2,3)22-20-14(21)19-12-8-23-13(18-12)7-9-10(16)5-4-6-11(9)17/h4-6,8H,7H2,1-3H3,(H2,19,20,21)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 1.50E+4n/an/an/an/an/an/a



Pharmacia Corporation

Curated by ChEMBL


Assay Description
Ability to inhibit cyclin-dependent kinase 2-cyclin A.


Bioorg Med Chem Lett 13: 3491-5 (2003)


BindingDB Entry DOI: 10.7270/Q2XG9QHN
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50133579
PNG
(CHEMBL117950 | N-(tert-butoxy)-N'-[2-(2,6-dichloro...)
Show SMILES CC(C)(C)ONC(=O)Nc1csc(Cc2c(Cl)cccc2Cl)n1
Show InChI InChI=1S/C15H17Cl2N3O2S/c1-15(2,3)22-20-14(21)19-12-8-23-13(18-12)7-9-10(16)5-4-6-11(9)17/h4-6,8H,7H2,1-3H3,(H2,19,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



Pharmacia Corporation

Curated by ChEMBL


Assay Description
Ability to inhibit Cyclin-dependent kinase 5-p35.


Bioorg Med Chem Lett 13: 3491-5 (2003)


BindingDB Entry DOI: 10.7270/Q2XG9QHN
More data for this
Ligand-Target Pair