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BDBM50108941 CHEMBL3597067

SMILES: COC(=O)C1=C(C[C@H](N([C@@H]1c1cccc(c1)[N+]([O-])=O)c1ccccc1)c1cccc(c1)[N+]([O-])=O)Nc1ccccc1

InChI Key: InChIKey=JZTQQEFDYZBWAJ-UUZOHGHPNA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50108941   
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
Cholinesterases


(Homo sapiens (Human))
BDBM50108941
PNG
(CHEMBL3597067)
Show SMILES COC(=O)C1=C(C[C@H](N([C@@H]1c1cccc(c1)[N+]([O-])=O)c1ccccc1)c1cccc(c1)[N+]([O-])=O)Nc1ccccc1
Show InChI InChI=1/C31H26N4O6/c1-41-31(36)29-27(32-23-12-4-2-5-13-23)20-28(21-10-8-16-25(18-21)34(37)38)33(24-14-6-3-7-15-24)30(29)22-11-9-17-26(19-22)35(39)40/h2-19,28,30,32H,20H2,1H3/t28-,30+/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.10E+5n/an/an/an/an/an/a



Visva-Bharati (a Central University)

Curated by ChEMBL


Assay Description
Inhibition of human acetylcholinesterase using ATCI/DTNB as substrate preincubated for 30 mins followed by substrate addition measured for 60 mins by...


Bioorg Med Chem 23: 4567-75 (2015)


Article DOI: 10.1016/j.bmc.2015.06.005
BindingDB Entry DOI: 10.7270/Q2Q81FVV
More data for this
Ligand-Target Pair