new BindingDB logo
myBDB logout

BDBM227584 2-Fluoro-N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]benzamide hydrochloride (3c)

SMILES: Fc1ccccc1C(=O)NCCCCNc1c2CCCCc2nc2ccccc12

InChI Key: InChIKey=GKFHMEQQMKLVMW-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 = 227584   
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
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM227584
PNG
(2-Fluoro-N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino...)
Show SMILES Fc1ccccc1C(=O)NCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C24H26FN3O/c25-20-12-4-1-9-17(20)24(29)27-16-8-7-15-26-23-18-10-2-5-13-21(18)28-22-14-6-3-11-19(22)23/h1-2,4-5,9-10,12-13H,3,6-8,11,14-16H2,(H,26,28)(H,27,29)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.39n/an/an/an/a7.425



Medical University of Lodz



Assay Description
The test was run as described in the following procedure: stock solution of the test compounds was diluted in phosphate buffer pH 7.4 to give final c...


Bioorg Chem 72: 315-322 (2017)


Article DOI: 10.1016/j.bioorg.2017.05.003
BindingDB Entry DOI: 10.7270/Q2RX99ZF
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM227584
PNG
(2-Fluoro-N-[4-(1,2,3,4-tetrahydroacridin-9-ylamino...)
Show SMILES Fc1ccccc1C(=O)NCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C24H26FN3O/c25-20-12-4-1-9-17(20)24(29)27-16-8-7-15-26-23-18-10-2-5-13-21(18)28-22-14-6-3-11-19(22)23/h1-2,4-5,9-10,12-13H,3,6-8,11,14-16H2,(H,26,28)(H,27,29)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 41.4n/an/an/an/a7.425



Medical University of Lodz



Assay Description
The test was run as described in the following procedure: stock solution of the test compounds was diluted in phosphate buffer pH 7.4 to give final c...


Bioorg Chem 72: 315-322 (2017)


Article DOI: 10.1016/j.bioorg.2017.05.003
BindingDB Entry DOI: 10.7270/Q2RX99ZF
More data for this
Ligand-Target Pair