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BDBM9041 2-(1H-indol-3-yl)ethyl N-{5-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]pentyl}carbamate::Indole-Tacrine Heterodimer 27::[5-(6-Chloro-1,2,3,4-tetrahydroacridin-9-ylamino)-pentyl]carbamic Acid 2-(1H-Indol-3-yl)ethyl Ester

SMILES: Clc1ccc2c(NCCCCCNC(=O)OCCc3c[nH]c4ccccc34)c3CCCCc3nc2c1

InChI Key: InChIKey=LYBXKEJTVIPNNF-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 = 9041   
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
Cholinesterases


(Homo sapiens (Human))
BDBM9041
PNG
(2-(1H-indol-3-yl)ethyl N-{5-[(6-chloro-1,2,3,4-tet...)
Show SMILES Clc1ccc2c(NCCCCCNC(=O)OCCc3c[nH]c4ccccc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C29H33ClN4O2/c30-21-12-13-24-27(18-21)34-26-11-5-3-9-23(26)28(24)31-15-6-1-7-16-32-29(35)36-17-14-20-19-33-25-10-4-2-8-22(20)25/h2,4,8,10,12-13,18-19,33H,1,3,5-7,9,11,14-17H2,(H,31,34)(H,32,35)
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 136n/an/an/an/an/an/a



Neuropharma



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 405 nm were recorded for 5 min with ...


J Med Chem 48: 7223-33 (2005)


Article DOI: 10.1021/jm0503289
BindingDB Entry DOI: 10.7270/Q2QN64Z5
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM9041
PNG
(2-(1H-indol-3-yl)ethyl N-{5-[(6-chloro-1,2,3,4-tet...)
Show SMILES Clc1ccc2c(NCCCCCNC(=O)OCCc3c[nH]c4ccccc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C29H33ClN4O2/c30-21-12-13-24-27(18-21)34-26-11-5-3-9-23(26)28(24)31-15-6-1-7-16-32-29(35)36-17-14-20-19-33-25-10-4-2-8-22(20)25/h2,4,8,10,12-13,18-19,33H,1,3,5-7,9,11,14-17H2,(H,31,34)(H,32,35)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.5n/an/an/an/a8.030



Neuropharma



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 405 nm were recorded for 5 min with ...


J Med Chem 48: 7223-33 (2005)


Article DOI: 10.1021/jm0503289
BindingDB Entry DOI: 10.7270/Q2QN64Z5
More data for this
Ligand-Target Pair