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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50433618'   
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))		BDBM50433618
PNG
(CHEMBL2380676)
Show SMILES Clc1ccc(\C=C2/CN(C\C(=C/c3ccc(Cl)cc3)C2=O)C(=O)[C@H]2C[C@H]3CCCN3[C@]22C(=O)Nc3cc(Cl)ccc23)cc1 |r|
Show InChI InChI=1S/C34H28Cl3N3O3/c35-24-7-3-20(4-8-24)14-22-18-39(19-23(31(22)41)15-21-5-9-25(36)10-6-21)32(42)29-17-27-2-1-13-40(27)34(29)28-12-11-26(37)16-30(28)38-33(34)43/h3-12,14-16,27,29H,1-2,13,17-19H2,(H,38,43)/b22-14+,23-15+/t27-,29-,34+/m1/s1
PDB

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Similars
Article
PubMed
n/an/a 2.82E+4n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using S-butyrylthiocholine chloride as substrate incubated for 15 mins prior to substrate addition measured after 30...

Bioorg Med Chem Lett 23: 2979-83 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.027
BindingDB Entry DOI: 10.7270/Q2057H97
More data for this
Ligand-Target Pair