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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 = 'BDBM50217848'   
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)		BDBM50217848
PNG
(CHEMBL326691)
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)(OCSC)[C@@]([H])(O2)\C=C\C(\C)=C\C(=O)OC
Show InChI InChI=1S/C35H54O8S/c1-8-9-19-34(41-24-44-7)21-22-35(43-31(34)16-12-26(3)23-33(39)40-6)20-18-28(5)30(42-35)15-11-25(2)10-14-29(36)27(4)13-17-32(37)38/h10-14,16-17,23,27-31,36H,8-9,15,18-22,24H2,1-7H3,(H,37,38)/b14-10+,16-12+,17-13+,25-11+,26-23+/t27-,28-,29-,30+,31-,34+,35-/m0/s1
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a<1.57E+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