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Found 1 hit Enz. Inhib. hit(s) with Target = 'Isoleucine--tRNA ligase, cytoplasmic' and Ligand = 'BDBM50479272'   
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))		BDBM50479272
PNG
(CHEMBL455272)
Show SMILES [H][C@]1([#6]\[#6]=[#6](/[#6])\[#6]=[#6]\[#6@H](-[#8][Si;v4]([#6])([#6])C([#6])([#6])[#6])-[#6@@H](-[#6])\[#6]=[#6]\[#6](-[#8])=O)[#8][C@]2([#6]-[#6]-[#6@@H]1-[#6])[#6]-[#6][C@@]([#6]-[#6]-[#6]-[#6])([#8]-[#6](=O)-[#6]-[#6]-[#6](-[#8])=O)[C@@]([H])([#8]2)\[#6]=[#6]\[#6](\[#6])=[#6]\[#6](-[#8])=O |r|
Show InChI InChI=1S/C42H66O11Si/c1-11-12-24-41(52-39(49)22-21-37(45)46)26-27-42(51-35(41)19-15-30(3)28-38(47)48)25-23-32(5)33(50-42)17-13-29(2)14-18-34(31(4)16-20-36(43)44)53-54(9,10)40(6,7)8/h13-16,18-20,28,31-35H,11-12,17,21-27H2,1-10H3,(H,43,44)(H,45,46)(H,47,48)/b18-14+,19-15+,20-16+,29-13+,30-28+/t31-,32-,33+,34-,35-,41+,42-/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.29E+3n/an/an/an/an/an/a



RIKEN (Institute of Physical and Chemical Research)

Curated by ChEMBL


Assay Description
Inhibition of IleRS

Bioorg Med Chem Lett 18: 3756-60 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.054
BindingDB Entry DOI: 10.7270/Q2BK1G6F
More data for this
Ligand-Target Pair