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SMILES: OC(COc1ccc(cc1)[N+]([O-])=O)CN1CCCN(CC1)c1nc2ccc(Cl)cc2s1

InChI Key: InChIKey=IOMCDXVULWOIFV-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 1 hit for monomerid = 50488711   
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))		BDBM50488711
PNG
(CHEMBL2297983)
Show SMILES OC(COc1ccc(cc1)[N+]([O-])=O)CN1CCCN(CC1)c1nc2ccc(Cl)cc2s1
Show InChI InChI=1S/C21H23ClN4O4S/c22-15-2-7-19-20(12-15)31-21(23-19)25-9-1-8-24(10-11-25)13-17(27)14-30-18-5-3-16(4-6-18)26(28)29/h2-7,12,17,27H,1,8-11,13-14H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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PC cid
PC sid
UniChem
Article
 263n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to acetylcholinesterase (unknown origin)

Citation and Details

Article DOI: 10.1007/s00044-012-0227-3
BindingDB Entry DOI: 10.7270/Q24F1TN5
More data for this
Ligand-Target Pair