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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Isoleucine--tRNA ligase, cytoplasmic' and Ligand = 'BDBM50075057'   
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, cytoplasmic


(Homo sapiens (Human))		BDBM50075057
PNG
(CHEMBL126919 | [(S)-2-Amino-3-(3H-imidazol-4-yl)-p...)
Show SMILES N[C@@H](Cc1cnc[nH]1)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)c1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C20H23N5O7S2/c21-13(6-12-7-22-10-23-12)19(28)25-34(29,30)31-8-15-16(26)17(27)18(32-15)20-24-14(9-33-20)11-4-2-1-3-5-11/h1-5,7,9-10,13,15-18,26-27H,6,8,21H2,(H,22,23)(H,25,28)/t13-,15+,16+,17+,18+/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of E. coli isoleucyl-tRNA synthetase

Bioorg Med Chem Lett 9: 375-80 (1999)


BindingDB Entry DOI: 10.7270/Q2M32TX1
More data for this
Ligand-Target Pair