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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Isoleucine--tRNA ligase' and Ligand = 'BDBM50544145'   
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
Isoleucine--tRNA ligase


(Escherichia coli)		BDBM50544145
PNG
(CHEMBL4636583)
Show SMILES CCC(C)[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1OC[C@@H](CCCn2cc(nn2)-c2ccccc2)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C23H35N5O7S/c1-3-15(2)20(24)23(31)26-36(32,33)35-14-19-22(30)21(29)17(13-34-19)10-7-11-28-12-18(25-27-28)16-8-5-4-6-9-16/h4-6,8-9,12,15,17,19-22,29-30H,3,7,10-11,13-14,24H2,1-2H3,(H,26,31)/t15?,17-,19-,20+,21+,22-/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 88n/an/an/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli BL21(DE3) ileRS overexpressed in Escherichia coli Rosetta2(DE3) assessed as reduction in tRNA aminoacylation preincuba...

Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115580
BindingDB Entry DOI: 10.7270/Q2XK8K4Q
More data for this
Ligand-Target Pair