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SMILES: COc1ccc(CCOC(=O)c2ccc(N)c(c2)[N+]([O-])=O)cc1

InChI Key: InChIKey=WDCXUDUWGZVAQD-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 84120   
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
Multidrug efflux pump


(Candida albicans)
BDBM84120
PNG
(2-(4-methoxyphenyl)ethyl 4-amino-3-nitrobenzoate |...)
Show SMILES COc1ccc(CCOC(=O)c2ccc(N)c(c2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C16H16N2O5/c1-22-13-5-2-11(3-6-13)8-9-23-16(19)12-4-7-14(17)15(10-12)18(20)21/h2-7,10H,8-9,17H2,1H3
UniProtKB/TrEMBL

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PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 11n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
UNMCMD Assay Overview: Assay Support: 1 R03 MH087406-01A1 Project Title: Identification of broad-spectrum antifungal efflux pump inhibitors ...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q20V8B9F
More data for this
Ligand-Target Pair
Multidrug resistance protein CDR2


(Candida albicans)
BDBM84120
PNG
(2-(4-methoxyphenyl)ethyl 4-amino-3-nitrobenzoate |...)
Show SMILES COc1ccc(CCOC(=O)c2ccc(N)c(c2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C16H16N2O5/c1-22-13-5-2-11(3-6-13)8-9-23-16(19)12-4-7-14(17)15(10-12)18(20)21/h2-7,10H,8-9,17H2,1H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 4.29E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
UNMCMD Assay Overview: Assay Support: 1 R03 MH087406-01A1 Project Title: Identification of broad-spectrum antifungal efflux pump inhibitors ...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q28C9TSJ
More data for this
Ligand-Target Pair