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BDBM192700 7-(4-(2-Chloro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-ylamino)phenoxy)-4-methyl-2H-chromen-2-one (8q)

SMILES: Cc1cc(=O)oc2cc(Oc3ccc(Nc4c5CCCCCc5nc5ccc(Cl)cc45)cc3)ccc12

InChI Key: InChIKey=RGNPGZWSRDIWQM-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 = 192700   
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))
BDBM192700
PNG
(7-(4-(2-Chloro-7,8,9,10-tetrahydro-6H-cyclohepta[b...)
Show SMILES Cc1cc(=O)oc2cc(Oc3ccc(Nc4c5CCCCCc5nc5ccc(Cl)cc45)cc3)ccc12
Show InChI InChI=1S/C30H25ClN2O3/c1-18-15-29(34)36-28-17-22(12-13-23(18)28)35-21-10-8-20(9-11-21)32-30-24-5-3-2-4-6-26(24)33-27-14-7-19(31)16-25(27)30/h7-17H,2-6H2,1H3,(H,32,33)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
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))
BDBM192700
PNG
(7-(4-(2-Chloro-7,8,9,10-tetrahydro-6H-cyclohepta[b...)
Show SMILES Cc1cc(=O)oc2cc(Oc3ccc(Nc4c5CCCCCc5nc5ccc(Cl)cc45)cc3)ccc12
Show InChI InChI=1S/C30H25ClN2O3/c1-18-15-29(34)36-28-17-22(12-13-23(18)28)35-21-10-8-20(9-11-21)32-30-24-5-3-2-4-6-26(24)33-27-14-7-19(31)16-25(27)30/h7-17H,2-6H2,1H3,(H,32,33)
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.41E+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