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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50290390'   
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
Cholinesterase


(Homo sapiens (Human))		BDBM50290390
PNG
(Butyl-carbamic acid 1-[(3-fluoro-pyridin-4-yl)-pro...)
Show SMILES CCCCNC(=O)Oc1ccc2n(cc(C)c2c1)N(CCC)c1ccncc1F
Show InChI InChI=1S/C22H27FN4O2/c1-4-6-10-25-22(28)29-17-7-8-20-18(13-17)16(3)15-27(20)26(12-5-2)21-9-11-24-14-19(21)23/h7-9,11,13-15H,4-6,10,12H2,1-3H3,(H,25,28)
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Article
n/an/a 920n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated in vitro for the inhibition of human serum Butyrylcholinesterase using butyrylthiocholine as substrate; 0.69-1.2

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