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BDBM50211228 CHEMBL3956740

SMILES: CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OCCCCNCc3ccc(Oc4nnnn4-c4ccccc4)c(OC)c3)cc12

InChI Key: InChIKey=HQKHREYJZJURFA-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50211228   
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
Quinolone resistance protein norA


(Staphylococcus aureus)		BDBM50211228
PNG
(CHEMBL3956740)
Show SMILES CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OCCCCNCc3ccc(Oc4nnnn4-c4ccccc4)c(OC)c3)cc12
Show InChI InChI=1S/C38H40N6O5/c1-4-47-37(45)36-27(2)43(26-28-13-7-5-8-14-28)33-19-18-31(24-32(33)36)48-22-12-11-21-39-25-29-17-20-34(35(23-29)46-3)49-38-40-41-42-44(38)30-15-9-6-10-16-30/h5-10,13-20,23-24,39H,4,11-12,21-22,25-26H2,1-3H3
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2.02E+3n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus 1199B NorA assessed as inhibition of ethidium bromide efflux measured after 5 mins by fluorometric method

J Med Chem 60: 517-523 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01281
BindingDB Entry DOI: 10.7270/Q2D79DKR
More data for this
Ligand-Target Pair