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SMILES: Clc1cc(Br)cc2C(CCNc12)NCCCNc1nc2ccccc2c(=O)[nH]1

InChI Key: InChIKey=ZIUQHDNJQSKCGQ-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50149637   
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
Methionine--tRNA ligase


(Staphylococcus aureus (strain MW2))		BDBM50149637
PNG
(2-[3-(6-Bromo-8-chloro-1,2,3,4-tetrahydro-quinolin...)
Show SMILES Clc1cc(Br)cc2C(CCNc12)NCCCNc1nc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C20H21BrClN5O/c21-12-10-14-16(6-9-24-18(14)15(22)11-12)23-7-3-8-25-20-26-17-5-2-1-4-13(17)19(28)27-20/h1-2,4-5,10-11,16,23-24H,3,6-9H2,(H2,25,26,27,28)
PDB

KEGG

UniProtKB/SwissProt

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PC sid
UniChem

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PubMed
n/an/a 8.20n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against Staphylococcus aureus methionyl tRNA synthetase

Bioorg Med Chem Lett 14: 3937-41 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.070
BindingDB Entry DOI: 10.7270/Q2QC02Z9
More data for this
Ligand-Target Pair