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SMILES: COc1ccc(cc1OC)C(=O)NC1CCN(Cc2c(F)cccc2Cl)CC1

InChI Key: InChIKey=FOOKSOTZDZCFMB-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50488704   
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))		BDBM50488704
PNG
(CHEMBL1711540)
Show SMILES COc1ccc(cc1OC)C(=O)NC1CCN(Cc2c(F)cccc2Cl)CC1
Show InChI InChI=1S/C21H24ClFN2O3/c1-27-19-7-6-14(12-20(19)28-2)21(26)24-15-8-10-25(11-9-15)13-16-17(22)4-3-5-18(16)23/h3-7,12,15H,8-11,13H2,1-2H3,(H,24,26)
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PC cid
PC sid
UniChem
Article
 55n/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