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SMILES: [Br-].COc1cc2CC(Cc3cc[n+](Cc4ccccc4C)cc3C(C)=O)C(=O)c2cc1OC

InChI Key: InChIKey=FRBSAUZZLIWNNT-UHFFFAOYSA-M

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50238235   
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))
BDBM50238235
PNG
(CHEMBL4081915)
Show SMILES [Br-].COc1cc2CC(Cc3cc[n+](Cc4ccccc4C)cc3C(C)=O)C(=O)c2cc1OC
Show InChI InChI=1S/C27H28NO4.BrH/c1-17-7-5-6-8-20(17)15-28-10-9-19(24(16-28)18(2)29)11-22-12-21-13-25(31-3)26(32-4)14-23(21)27(22)30;/h5-10,13-14,16,22H,11-12,15H2,1-4H3;1H/q+1;/p-1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.80n/an/an/an/an/an/a



VFP Therapies

Curated by ChEMBL


Assay Description
Inhibition of AChE in human erythrocytes using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured ...


J Med Chem 60: 5909-5926 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00702
BindingDB Entry DOI: 10.7270/Q22V2JC5
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50238235
PNG
(CHEMBL4081915)
Show SMILES [Br-].COc1cc2CC(Cc3cc[n+](Cc4ccccc4C)cc3C(C)=O)C(=O)c2cc1OC
Show InChI InChI=1S/C27H28NO4.BrH/c1-17-7-5-6-8-20(17)15-28-10-9-19(24(16-28)18(2)29)11-22-12-21-13-25(31-3)26(32-4)14-23(21)27(22)30;/h5-10,13-14,16,22H,11-12,15H2,1-4H3;1H/q+1;/p-1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.93E+3n/an/an/an/an/an/a



VFP Therapies

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured every mi...


J Med Chem 60: 5909-5926 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00702
BindingDB Entry DOI: 10.7270/Q22V2JC5
More data for this
Ligand-Target Pair