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BDBM50235808 CHEMBL4060055

SMILES: CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc(c1)C(O)CN1CCCCC1

InChI Key: InChIKey=PZBKLDOCHSGKAP-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50235808   
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
Cholinesterase


(Equus caballus (Horse))
BDBM50235808
PNG
(CHEMBL4060055)
Show SMILES CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc(c1)C(O)CN1CCCCC1
Show InChI InChI=1S/C19H29N3O5/c1-20(2)18(24)26-15-10-14(11-16(12-15)27-19(25)21(3)4)17(23)13-22-8-6-5-7-9-22/h10-12,17,23H,5-9,13H2,1-4H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 100n/an/an/an/an/an/a



South China University of Technology

Curated by ChEMBL


Assay Description
Inhibitory concentration against cyclin dependent kinase-2 (CDK2)/Cyclin E


Eur J Med Chem 126: 61-71 (2017)


Article DOI: 10.1016/j.ejmech.2016.08.061
BindingDB Entry DOI: 10.7270/Q2571F8X
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50235808
PNG
(CHEMBL4060055)
Show SMILES CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc(c1)C(O)CN1CCCCC1
Show InChI InChI=1S/C19H29N3O5/c1-20(2)18(24)26-15-10-14(11-16(12-15)27-19(25)21(3)4)17(23)13-22-8-6-5-7-9-22/h10-12,17,23H,5-9,13H2,1-4H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



South China University of Technology

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using S-acetylthiocholine iodide as substrate preincubated for 60 mins followed by substrate addition measured after ...


Eur J Med Chem 126: 61-71 (2017)


Article DOI: 10.1016/j.ejmech.2016.08.061
BindingDB Entry DOI: 10.7270/Q2571F8X
More data for this
Ligand-Target Pair