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SMILES: CCc1cc(O)c(Oc2ccc(cc2F)C(O)=O)cc1F

InChI Key: InChIKey=MGJZEAYRQKLJSV-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50399403   
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
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI


(Staphylococcus aureus)		BDBM50399403
PNG
(CHEMBL2178288)
Show SMILES CCc1cc(O)c(Oc2ccc(cc2F)C(O)=O)cc1F
Show InChI InChI=1S/C15H12F2O4/c1-2-8-6-12(18)14(7-10(8)16)21-13-4-3-9(15(19)20)5-11(13)17/h3-7,18H,2H2,1H3,(H,19,20)
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KEGG

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 180n/an/an/an/an/an/a



Mutabilis

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus recombinant FabI using trans-2-octenoyl N-acetylcysteamine thioester as substrate preincubated for 60 mins

J Med Chem 55: 9914-28 (2012)


Article DOI: 10.1021/jm301113w
BindingDB Entry DOI: 10.7270/Q2H99699
More data for this
Ligand-Target Pair