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BDBM84149 1-[2-[4-[2-(2-methoxyphenyl)-1-benzothiophen-3-yl]phenoxy]ethyl]piperidine::1-[2-[4-[2-(2-methoxyphenyl)benzothiophen-3-yl]phenoxy]ethyl]piperidine::MLS002603229::SMR001522204::cid_44601941

SMILES: COc1ccccc1-c1sc2ccccc2c1-c1ccc(OCCN2CCCCC2)cc1

InChI Key: InChIKey=YMSXBMKZFMDQFV-UHFFFAOYSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 84149   
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)		BDBM84149
PNG
(1-[2-[4-[2-(2-methoxyphenyl)-1-benzothiophen-3-yl]...)
Show SMILES COc1ccccc1-c1sc2ccccc2c1-c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C28H29NO2S/c1-30-25-11-5-3-9-23(25)28-27(24-10-4-6-12-26(24)32-28)21-13-15-22(16-14-21)31-20-19-29-17-7-2-8-18-29/h3-6,9-16H,2,7-8,17-20H2,1H3
UniProtKB/TrEMBL

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PC cid
PC sid
UniChem

Similars
PCBioAssay
n/an/an/an/a 1.89E+4n/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