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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50290391'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50290391
PNG
(CHEMBL42531 | Methyl-carbamic acid 1-[(3-fluoro-py...)
Show SMILES CCCN(c1ccncc1F)n1cc(C)c2cc(OC(=O)NC)ccc12
Show InChI InChI=1S/C19H21FN4O2/c1-4-9-23(18-7-8-22-11-16(18)20)24-12-13(2)15-10-14(5-6-17(15)24)26-19(25)21-3/h5-8,10-12H,4,9H2,1-3H3,(H,21,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
n/an/a 58n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated in vitro in rats for the inhibition of brain (striatal) acetylcholinesterase (AChEI) using acetylthiocholine as substrate; 0.0...

Bioorg Med Chem Lett 7: 157-162 (1997)


Article DOI: 10.1016/S0960-894X(96)00592-6
BindingDB Entry DOI: 10.7270/Q2CC10P5
More data for this
Ligand-Target Pair