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SMILES: CCc1cc(O)c(Oc2cccnc2N)cc1F

InChI Key: InChIKey=MRIHADBFHMLZBI-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50399402   
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)		BDBM50399402
PNG
(CHEMBL2178289)
Show SMILES CCc1cc(O)c(Oc2cccnc2N)cc1F
Show InChI InChI=1S/C13H13FN2O2/c1-2-8-6-10(17)12(7-9(8)14)18-11-4-3-5-16-13(11)15/h3-7,17H,2H2,1H3,(H2,15,16)
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KEGG

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 56n/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