BDBM84141 4-[2-[4-[5-methoxy-2-(2-methoxyphenyl)-1-benzothiophen-3-yl]phenoxy]ethyl]morpholine::4-[2-[4-[5-methoxy-2-(2-methoxyphenyl)benzothiophen-3-yl]phenoxy]ethyl]morpholine::MLS002603238::SMR001522213::cid_44601947
SMILES: COc1ccc2sc(c(-c3ccc(OCCN4CCOCC4)cc3)c2c1)-c1ccccc1OC
InChI Key: InChIKey=AGOODVSYRWQLSY-UHFFFAOYSA-N
Data: 2 EC50
Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Candida albicans strain ATCC 10261 multidrug efflux pump (MDR1) gene, MDR1-A allele, complete cds (Candida albicans) | BDBM84141 (4-[2-[4-[5-methoxy-2-(2-methoxyphenyl)-1-benzothio...) | UniProtKB/TrEMBL GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 1.06E+4 | n/a | n/a | n/a | n/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 | |||||||||||||
drug resistance protein 1 (Candida albicans) | BDBM84141 (4-[2-[4-[5-methoxy-2-(2-methoxyphenyl)-1-benzothio...) | UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/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/Q24M932M | |||||||||||
More data for this Ligand-Target Pair |