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BDBM50387097 CHEMBL2047226

SMILES: Brc1ccc(CNc2ccnc(NC3CCN(Cc4ccccc4)CC3)n2)cc1

InChI Key: InChIKey=WOAVNWHCIXCOIZ-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50387097   
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))
BDBM50387097
PNG
(CHEMBL2047226)
Show SMILES Brc1ccc(CNc2ccnc(NC3CCN(Cc4ccccc4)CC3)n2)cc1
Show InChI InChI=1S/C23H26BrN5/c24-20-8-6-18(7-9-20)16-26-22-10-13-25-23(28-22)27-21-11-14-29(15-12-21)17-19-4-2-1-3-5-19/h1-10,13,21H,11-12,14-17H2,(H2,25,26,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.90E+3n/an/an/an/an/an/a



University of Waterloo

Curated by ChEMBL


Assay Description
Inhibition of human AChE using acetylthiocholine iodide as substrate after 5 mins by DTNB method


Bioorg Med Chem Lett 22: 4707-12 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.077
BindingDB Entry DOI: 10.7270/Q27S7PSZ
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50387097
PNG
(CHEMBL2047226)
Show SMILES Brc1ccc(CNc2ccnc(NC3CCN(Cc4ccccc4)CC3)n2)cc1
Show InChI InChI=1S/C23H26BrN5/c24-20-8-6-18(7-9-20)16-26-22-10-13-25-23(28-22)27-21-11-14-29(15-12-21)17-19-4-2-1-3-5-19/h1-10,13,21H,11-12,14-17H2,(H2,25,26,27,28)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.10E+3n/an/an/an/an/an/a



University of Waterloo

Curated by ChEMBL


Assay Description
Inhibition of equine BuChE using butyrylthiocholine iodide as substrate after 5 mins by DTNB method


Bioorg Med Chem Lett 22: 4707-12 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.077
BindingDB Entry DOI: 10.7270/Q27S7PSZ
More data for this
Ligand-Target Pair