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Found 1 hit Enz. Inhib. hit(s) with Target = 'Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI [9-251]' and Ligand = 'BDBM50052226'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI [9-251]


(Staphylococcus aureus)		BDBM50052226
PNG
(CHEMBL3322709)
Show SMILES Fc1ccc(OCC2CN(C2)C(=O)\C=C\c2cnc3NC(=O)CCc3c2)cc1
Show InChI InChI=1S/C21H20FN3O3/c22-17-3-5-18(6-4-17)28-13-15-11-25(12-15)20(27)8-1-14-9-16-2-7-19(26)24-21(16)23-10-14/h1,3-6,8-10,15H,2,7,11-13H2,(H,23,24,26)/b8-1+
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Article
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n/an/a 316n/an/an/an/an/an/a



Aurigene Discovery Technologies Ltd

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus FabI-mediated reduction of enoyl-ACP preincubated for 30 mins measured after 2 hrs by spectrophotometry

Eur J Med Chem 84: 382-94 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.036
BindingDB Entry DOI: 10.7270/Q2CJ8G45
More data for this
Ligand-Target Pair