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BDBM50217845 CHEMBL324327

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)OC

InChI Key: InChIKey=IYTKFWDGMFAIRV-CUJFRHNVSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50217845   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Isoleucyl-tRNA synthetase


(Rattus norvegicus)		BDBM50217845
PNG
(CHEMBL324327)
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)OC
Show InChI InChI=1S/C37H54O11/c1-7-8-22-36(48-35(43)20-19-34(42)45-6)24-25-37(47-31(36)11-9-10-12-33(41)44-5)23-21-28(4)30(46-37)17-14-26(2)13-16-29(38)27(3)15-18-32(39)40/h9-16,18,27-31,38H,7-8,17,19-25H2,1-6H3,(H,39,40)/b11-9+,12-10+,16-13+,18-15+,26-14+/t27-,28-,29-,30+,31-,36+,37-/m0/s1
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Similars
PubMed
n/an/a<1.00E+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