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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50433622'   
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))		BDBM50433622
PNG
(CHEMBL2380672)
Show SMILES Fc1ccccc1\C=C1/CN(C\C(=C/c2ccccc2F)C1=O)C(=O)[C@H]1C[C@H]2CCCN2[C@]11C(=O)Nc2cc(Cl)ccc12 |r|
Show InChI InChI=1S/C34H28ClF2N3O3/c35-24-11-12-26-30(16-24)38-33(43)34(26)27(17-25-8-5-13-40(25)34)32(42)39-18-22(14-20-6-1-3-9-28(20)36)31(41)23(19-39)15-21-7-2-4-10-29(21)37/h1-4,6-7,9-12,14-16,25,27H,5,8,13,17-19H2,(H,38,43)/b22-14+,23-15+/t25-,27-,34+/m1/s1
PDB

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PC sid
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Similars
Article
PubMed
n/an/a 3.13E+3n/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