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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 = 'BDBM50217932'   
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)		BDBM50217932
PNG
(CHEMBL115260)
Show SMILES [H][C@]1(C\C=C(/C)\C=C\[C@H](O)[C@@H](C)\C=C\C(=O)OC)O[C@]2(CC[C@@H]1C)CC[C@@](CCCC)(OC(=O)CCC(=O)OC)[C@@]([H])(O2)\C=C\C(\C)=C\C(O)=O
Show InChI InChI=1S/C38H56O11/c1-8-9-21-37(49-36(44)19-18-35(43)46-7)23-24-38(48-32(37)16-12-27(3)25-33(40)41)22-20-29(5)31(47-38)15-11-26(2)10-14-30(39)28(4)13-17-34(42)45-6/h10-14,16-17,25,28-32,39H,8-9,15,18-24H2,1-7H3,(H,40,41)/b14-10+,16-12+,17-13+,26-11+,27-25+/t28-,29-,30-,31+,32-,37+,38-/m0/s1
UniProtKB/TrEMBL

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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 1.45E+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