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BDBM50217840 CHEMBL324768

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)OC

InChI Key: InChIKey=MYSSTTUCBYAUIV-MDOZOVPWSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50217840   
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)		BDBM50217840
PNG
(CHEMBL324768)
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)OC
Show InChI InChI=1S/C39H58O11/c1-9-10-22-38(50-36(43)20-19-35(42)46-7)24-25-39(49-33(38)17-13-28(3)26-37(44)47-8)23-21-30(5)32(48-39)16-12-27(2)11-15-31(40)29(4)14-18-34(41)45-6/h11-15,17-18,26,29-33,40H,9-10,16,19-25H2,1-8H3/b15-11+,17-13+,18-14+,27-12+,28-26+/t29-,30-,31-,32+,33-,38+,39-/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