BindingDB logo
myBDB logout

BDBM91520 MLS000877365::SMR000451100::cid_16682210

SMILES: Fc1ccc2OC3(CCN(CC3)C(=O)c3ccc4OCOc4c3)C3(CC(=NO3)c3ccccc3)C(=O)c2c1

InChI Key: InChIKey=TZVFUFRCUOACND-UHFFFAOYSA-N

Data: 1 EC50

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 1 hit for monomerid = 91520   
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
Candida albicans strain ATCC 10261 multidrug efflux pump (MDR1) gene, MDR1-A allele, complete cds


(Candida albicans)		BDBM91520
PNG
(MLS000877365 | SMR000451100 | cid_16682210)
Show SMILES Fc1ccc2OC3(CCN(CC3)C(=O)c3ccc4OCOc4c3)C3(CC(=NO3)c3ccccc3)C(=O)c2c1 |c:28|
Show InChI InChI=1S/C29H23FN2O6/c30-20-7-9-23-21(15-20)26(33)29(16-22(31-38-29)18-4-2-1-3-5-18)28(37-23)10-12-32(13-11-28)27(34)19-6-8-24-25(14-19)36-17-35-24/h1-9,14-15H,10-13,16-17H2
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
PCBioAssay
n/an/an/an/a 9.25E+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 (2012)


BindingDB Entry DOI: 10.7270/Q2765CXD
More data for this
Ligand-Target Pair