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BDBM50279995 8-Fluoro-1,2,3,4-tetrahydro-acridin-9-ylamine::9-Amino-8-fluoro-1,2,3,4-tetrahydro-acridinium::CHEMBL132030

SMILES: Nc1c2CCCCc2nc2cccc(F)c12

InChI Key: InChIKey=PADRKJUJDBXCPM-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50279995   
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
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50279995
PNG
(8-Fluoro-1,2,3,4-tetrahydro-acridin-9-ylamine | 9-...)
Show SMILES Nc1c2CCCCc2nc2cccc(F)c12
Show InChI InChI=1S/C13H13FN2/c14-9-5-3-7-11-12(9)13(15)8-4-1-2-6-10(8)16-11/h3,5,7H,1-2,4,6H2,(H2,15,16)
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Article
PubMed
n/an/a 79n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibitory activity against human erythrocyte acetylcholinesterase


J Med Chem 47: 4471-82 (2004)


Article DOI: 10.1021/jm049877p
BindingDB Entry DOI: 10.7270/Q26974WJ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50279995
PNG
(8-Fluoro-1,2,3,4-tetrahydro-acridin-9-ylamine | 9-...)
Show SMILES Nc1c2CCCCc2nc2cccc(F)c12
Show InChI InChI=1S/C13H13FN2/c14-9-5-3-7-11-12(9)13(15)8-4-1-2-6-10(8)16-11/h3,5,7H,1-2,4,6H2,(H2,15,16)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
n/an/a 78n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of acetylcholinesterase isolated from human erythrocytes.


Bioorg Med Chem Lett 1: 411-414 (1991)


Article DOI: 10.1016/S0960-894X(00)80267-X
BindingDB Entry DOI: 10.7270/Q2G73DN0
More data for this
Ligand-Target Pair