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SMILES: COc1cc2oc3cc(CN(C)Cc4ccccc4)ccc3c(=O)c2cc1OC

InChI Key: InChIKey=YUCQAPNOOUWMMP-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50218524   
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))
BDBM50218524
PNG
(6-[(benzylmethylamino)methyl]-2,3-dimethoxyxanthen...)
Show SMILES COc1cc2oc3cc(CN(C)Cc4ccccc4)ccc3c(=O)c2cc1OC
Show InChI InChI=1S/C24H23NO4/c1-25(14-16-7-5-4-6-8-16)15-17-9-10-18-20(11-17)29-21-13-23(28-3)22(27-2)12-19(21)24(18)26/h4-13H,14-15H2,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.03E+4n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE


J Med Chem 50: 4250-4 (2007)


Article DOI: 10.1021/jm070100g
BindingDB Entry DOI: 10.7270/Q2QC036V
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50218524
PNG
(6-[(benzylmethylamino)methyl]-2,3-dimethoxyxanthen...)
Show SMILES COc1cc2oc3cc(CN(C)Cc4ccccc4)ccc3c(=O)c2cc1OC
Show InChI InChI=1S/C24H23NO4/c1-25(14-16-7-5-4-6-8-16)15-17-9-10-18-20(11-17)29-21-13-23(28-3)22(27-2)12-19(21)24(18)26/h4-13H,14-15H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BChE


J Med Chem 50: 4250-4 (2007)


Article DOI: 10.1021/jm070100g
BindingDB Entry DOI: 10.7270/Q2QC036V
More data for this
Ligand-Target Pair