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BDBM199192 7-Chloro-N-(2-methoxybenzyl)-1,2,3,4-tetrahydroacridin-9-amine (10b)

SMILES: COc1ccccc1CNc1c2CCCCc2nc2ccc(Cl)cc12

InChI Key: InChIKey=JQCUHQZFFVRUOS-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 = 199192   
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))
BDBM199192
PNG
(7-Chloro-N-(2-methoxybenzyl)-1,2,3,4-tetrahydroacr...)
Show SMILES COc1ccccc1CNc1c2CCCCc2nc2ccc(Cl)cc12
Show InChI InChI=1S/C21H21ClN2O/c1-25-20-9-5-2-6-14(20)13-23-21-16-7-3-4-8-18(16)24-19-11-10-15(22)12-17(19)21/h2,5-6,9-12H,3-4,7-8,13H2,1H3,(H,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.10E+3n/an/an/an/a8.025



University of Waterloo



Assay Description
Test compounds were prepared in DMSO (maximum concentration used 1% v/v), and 10 μL of each (0.001-25 μm final concentration range) was inc...


Chem Biol Drug Des 88: 710-723 (2016)


Article DOI: 10.1111/cbdd.12800
BindingDB Entry DOI: 10.7270/Q26D5RSX
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM199192
PNG
(7-Chloro-N-(2-methoxybenzyl)-1,2,3,4-tetrahydroacr...)
Show SMILES COc1ccccc1CNc1c2CCCCc2nc2ccc(Cl)cc12
Show InChI InChI=1S/C21H21ClN2O/c1-25-20-9-5-2-6-14(20)13-23-21-16-7-3-4-8-18(16)24-19-11-10-15(22)12-17(19)21/h2,5-6,9-12H,3-4,7-8,13H2,1H3,(H,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.20E+3n/an/an/an/a8.025



University of Waterloo



Assay Description
Test compounds were prepared in DMSO (maximum concentration used 1% v/v), and 10 μL of each (0.001-25 μm final concentration range) was inc...


Chem Biol Drug Des 88: 710-723 (2016)


Article DOI: 10.1111/cbdd.12800
BindingDB Entry DOI: 10.7270/Q26D5RSX
More data for this
Ligand-Target Pair