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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 = 'BDBM50217842'   
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))		BDBM50217842
PNG
(REVEROMYCIN B)
Show SMILES [H][C@]1(C\C=C(/C)\C=C\[C@H](O)[C@@H](C)\C=C\C(O)=O)O[C@@]2(CC[C@@](CCCC)(O2)[C@@H](OC(=O)CCC(O)=O)\C=C\C(\C)=C\C(O)=O)CC[C@@H]1C |r|
Show InChI InChI=1S/C36H52O11/c1-6-7-19-35(30(14-10-25(3)23-33(42)43)45-34(44)17-16-32(40)41)21-22-36(47-35)20-18-27(5)29(46-36)13-9-24(2)8-12-28(37)26(4)11-15-31(38)39/h8-12,14-15,23,26-30,37H,6-7,13,16-22H2,1-5H3,(H,38,39)(H,40,41)(H,42,43)/b12-8+,14-10+,15-11+,24-9+,25-23+/t26-,27-,28-,29+,30-,35+,36-/m0/s1
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Similars
Article
PubMed
n/an/a>1.51E+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