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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Isoleucyl-tRNA synthetase' and Ligand = 'BDBM50217933'   
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
Isoleucyl-tRNA synthetase


(Rattus norvegicus)		BDBM50217933
PNG
(CHEMBL115057)
Show SMILES [H][C@]1(C\C=C(/C)\C=C\[C@H](O[SiH2]C(C)(C)C)[C@@H](C)\C=C\C(O)=O)O[C@]2(CC[C@@H]1C)CC[C@@](CCCC)(OC(=O)CCC(O)=O)[C@@]([H])(O2)\C=C\C(\C)=C\C(O)=O
Show InChI InChI=1S/C40H62O11Si/c1-9-10-22-39(50-37(47)20-19-35(43)44)24-25-40(49-33(39)17-13-28(3)26-36(45)46)23-21-30(5)31(48-40)15-11-27(2)12-16-32(51-52-38(6,7)8)29(4)14-18-34(41)42/h11-14,16-18,26,29-33H,9-10,15,19-25,52H2,1-8H3,(H,41,42)(H,43,44)(H,45,46)/b16-12+,17-13+,18-14+,27-11+,28-26+/t29-,30-,31+,32-,33-,39+,40-/m0/s1
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Similars
PubMed
n/an/a<1.33E+3n/an/an/an/an/an/a



RIKEN (The Institute of Physical and Chemical Research)

Curated by ChEMBL


Assay Description
Inhibitory concentration against Isoleucyl-tRNA synthetase (IleRS) activity

Bioorg Med Chem Lett 12: 3363-6 (2002)


BindingDB Entry DOI: 10.7270/Q2B56MX8
More data for this
Ligand-Target Pair