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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50433620'   
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))		BDBM50433620
PNG
(CHEMBL2380674)
Show SMILES Clc1ccc2c(NC(=O)[C@@]22[C@H](C[C@H]3CCCN23)C(=O)N2C\C(=C/c3ccc(Cl)cc3Cl)C(=O)\C(C2)=C\c2ccc(Cl)cc2Cl)c1 |r|
Show InChI InChI=1S/C34H26Cl5N3O3/c35-22-5-3-18(28(38)12-22)10-20-16-41(17-21(31(20)43)11-19-4-6-23(36)13-29(19)39)32(44)27-15-25-2-1-9-42(25)34(27)26-8-7-24(37)14-30(26)40-33(34)45/h3-8,10-14,25,27H,1-2,9,15-17H2,(H,40,45)/b20-10+,21-11+/t25-,27-,34+/m1/s1
PDB

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2.01E+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