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BDBM192695 7-(4-((7-Chloro-1,2,3,4-tetrahydroacridin-9-yl)amino)phenoxy)-4-methyl-2H-chromen-2-one (8l)

SMILES: Cc1cc(=O)oc2cc(Oc3ccc(Nc4c5CCCCc5nc5ccc(Cl)cc45)cc3)ccc12

InChI Key: InChIKey=DIEGSTRUQCROTJ-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 = 192695   
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))
BDBM192695
PNG
(7-(4-((7-Chloro-1,2,3,4-tetrahydroacridin-9-yl)ami...)
Show SMILES Cc1cc(=O)oc2cc(Oc3ccc(Nc4c5CCCCc5nc5ccc(Cl)cc45)cc3)ccc12
Show InChI InChI=1S/C29H23ClN2O3/c1-17-14-28(33)35-27-16-21(11-12-22(17)27)34-20-9-7-19(8-10-20)31-29-23-4-2-3-5-25(23)32-26-13-6-18(30)15-24(26)29/h6-16H,2-5H2,1H3,(H,31,32)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/a8.0n/a



Tehran University of Medical Sciences



Assay Description
In vitro AChEI activity was performed based on the modified Ellman's methodas previously reported by our group using a 96-well plate reader (BioTek E...


Bioorg Chem 67: 84-94 (2016)


Article DOI: 10.1016/j.bioorg.2016.06.001
BindingDB Entry DOI: 10.7270/Q2R21066
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM192695
PNG
(7-(4-((7-Chloro-1,2,3,4-tetrahydroacridin-9-yl)ami...)
Show SMILES Cc1cc(=O)oc2cc(Oc3ccc(Nc4c5CCCCc5nc5ccc(Cl)cc45)cc3)ccc12
Show InChI InChI=1S/C29H23ClN2O3/c1-17-14-28(33)35-27-16-21(11-12-22(17)27)34-20-9-7-19(8-10-20)31-29-23-4-2-3-5-25(23)32-26-13-6-18(30)15-24(26)29/h6-16H,2-5H2,1H3,(H,31,32)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.08E+4n/an/an/an/a8.0n/a



Tehran University of Medical Sciences



Assay Description
In vitro AChEI activity was performed based on the modified Ellman's methodas previously reported by our group using a 96-well plate reader (BioTek E...


Bioorg Chem 67: 84-94 (2016)


Article DOI: 10.1016/j.bioorg.2016.06.001
BindingDB Entry DOI: 10.7270/Q2R21066
More data for this
Ligand-Target Pair