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SMILES: CCCCSc1nc2n(Cc3c(F)ccc(C)c3F)cnc2c(=O)[nH]1

InChI Key: InChIKey=HBJNFZZZFFGCBI-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50263190   
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
Glutamate racemase


(Enterococcus faecalis)		BDBM50263190
PNG
(9-(2,6-difluoro-3-methylbenzyl)-2-(butylthio)-1H-p...)
Show SMILES CCCCSc1nc2n(Cc3c(F)ccc(C)c3F)cnc2c(=O)[nH]1
Show InChI InChI=1S/C17H18F2N4OS/c1-3-4-7-25-17-21-15-14(16(24)22-17)20-9-23(15)8-11-12(18)6-5-10(2)13(11)19/h5-6,9H,3-4,7-8H2,1-2H3,(H,21,22,24)
PDB
MMDB

KEGG

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.15E+4n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Enterococcus faecalis MurI

Bioorg Med Chem Lett 18: 4368-72 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.068
BindingDB Entry DOI: 10.7270/Q28052D6
More data for this
Ligand-Target Pair