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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 = 'BDBM50217938'   
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)		BDBM50217938
PNG
(CHEMBL112182)
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@@H]1C)CC[C@@](CCCC)(OC(=O)CCC(=O)OC)[C@@]([H])(O2)\C=C\C=C\C(O)=O
Show InChI InChI=1S/C36H52O11/c1-6-7-21-35(47-34(43)19-18-33(42)44-5)23-24-36(46-30(35)10-8-9-11-31(38)39)22-20-27(4)29(45-36)16-13-25(2)12-15-28(37)26(3)14-17-32(40)41/h8-15,17,26-30,37H,6-7,16,18-24H2,1-5H3,(H,38,39)(H,40,41)/b10-8+,11-9+,15-12+,17-14+,25-13+/t26-,27-,28-,29+,30-,35+,36-/m0/s1
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Similars
PubMed
n/an/a 195n/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