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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Liver carboxylesterase 1' and Ligand = 'BDBM50468028'   
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
Liver carboxylesterase 1


(Homo sapiens (Human))		BDBM50468028
PNG
(CHEMBL4290236)
Show SMILES Cc1coc2c1c(=O)oc(=O)c1c3CCCC(C)(C)c3ccc21
Show InChI InChI=1S/C19H18O4/c1-10-9-22-16-12-6-7-13-11(5-4-8-19(13,2)3)15(12)18(21)23-17(20)14(10)16/h6-7,9H,4-5,8H2,1-3H3
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KEGG

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MCE
PC cid
PC sid
UniChem
Article
PubMed
 0.328n/an/an/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human CE1 using o-NPA as substrate

J Nat Prod 81: 2410-2418 (2018)


Article DOI: 10.1021/acs.jnatprod.8b00378
BindingDB Entry DOI: 10.7270/Q2NC63XX
More data for this
Ligand-Target Pair