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SMILES: Fc1cccc(c1)C(=O)NCCCNc1c2CCCCc2nc2ccccc12

InChI Key: InChIKey=ICFJKNCWMOQLCM-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 = 227586   
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
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM227586
PNG
(3-Fluoro-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino...)
Show SMILES Fc1cccc(c1)C(=O)NCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C23H24FN3O/c24-17-8-5-7-16(15-17)23(28)26-14-6-13-25-22-18-9-1-3-11-20(18)27-21-12-4-2-10-19(21)22/h1,3,5,7-9,11,15H,2,4,6,10,12-14H2,(H,25,27)(H,26,28)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.79n/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))
BDBM227586
PNG
(3-Fluoro-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino...)
Show SMILES Fc1cccc(c1)C(=O)NCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C23H24FN3O/c24-17-8-5-7-16(15-17)23(28)26-14-6-13-25-22-18-9-1-3-11-20(18)27-21-12-4-2-10-19(21)22/h1,3,5,7-9,11,15H,2,4,6,10,12-14H2,(H,25,27)(H,26,28)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 515n/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