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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50291439'   
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


(Equus caballus (Horse))		BDBM50291439
PNG
(CHEMBL4168987)
Show SMILES [Br-].COc1ccc2C(=O)C(Cc3cc[n+](Cc4cccc(C)c4)cc3C(C)=O)CCc2c1
Show InChI InChI=1S/C27H28NO3.BrH/c1-18-5-4-6-20(13-18)16-28-12-11-22(26(17-28)19(2)29)14-23-8-7-21-15-24(31-3)9-10-25(21)27(23)30;/h4-6,9-13,15,17,23H,7-8,14,16H2,1-3H3;1H/q+1;/p-1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 596n/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...

Eur J Med Chem 145: 165-190 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.084
BindingDB Entry DOI: 10.7270/Q2FN18RR
More data for this
Ligand-Target Pair