BDBM75438 2-[4-[5-methoxy-2-(3-methoxyphenyl)-1-benzothiophen-3-yl]phenoxy]-N,N-dimethyl-ethanamine::2-[4-[5-methoxy-2-(3-methoxyphenyl)-1-benzothiophen-3-yl]phenoxy]-N,N-dimethylethanamine::2-[4-[5-methoxy-2-(3-methoxyphenyl)benzothiophen-3-yl]phenoxy]ethyl-dimethyl-amine::MLS002473613::SMR001397780::cid_44202257

SMILES COc1cccc(c1)-c1sc2ccc(OC)cc2c1-c1ccc(OCCN(C)C)cc1

InChI Key InChIKey=GSFVSUDIBTYRBH-UHFFFAOYSA-N

Data  3 IC50  4 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 75438   

TargetIntegrin alpha-4(Homo sapiens (Human))
Nmmlsc

Curated by PubChem BioAssay
LigandPNGBDBM75438(2-[4-[5-methoxy-2-(3-methoxyphenyl)-1-benzothiophe...)
Affinity DataEC50:  220nMAssay Description:University of New Mexico Assay Overview: Assay Support Project Title:HTS for Identification of VLA-4 Allosteric Modulators 1 R01 HL081062-01 PI:Lar...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetOrexin/Hypocretin receptor type 1(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM75438(2-[4-[5-methoxy-2-(3-methoxyphenyl)-1-benzothiophe...)
Affinity DataIC50: >6.62E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetUbiquitin-conjugating enzyme E2 N(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM75438(2-[4-[5-methoxy-2-(3-methoxyphenyl)-1-benzothiophe...)
Affinity DataIC50: >2.00E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetMultidrug resistance protein CDR1(Candida albicans)
Nmmlsc

Curated by PubChem BioAssay
LigandPNGBDBM75438(2-[4-[5-methoxy-2-(3-methoxyphenyl)-1-benzothiophe...)
Affinity DataEC50:  2.68E+4nMAssay Description:UNMCMD Assay Overview: Assay Support: 1 R03 MH087406-01A1 Project Title: Identification of broad-spectrum antifungal efflux pump inhibitors ...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetMultidrug efflux pump(Candida albicans)
Nmmlsc

Curated by PubChem BioAssay
LigandPNGBDBM75438(2-[4-[5-methoxy-2-(3-methoxyphenyl)-1-benzothiophe...)
Affinity DataEC50:  3.21E+4nMAssay Description:UNMCMD Assay Overview: Assay Support: 1 R03 MH087406-01A1 Project Title: Identification of broad-spectrum antifungal efflux pump inhibitors ...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetDrug resistance protein 2(Candida albicans)
Nmmlsc

Curated by PubChem BioAssay
LigandPNGBDBM75438(2-[4-[5-methoxy-2-(3-methoxyphenyl)-1-benzothiophe...)
Affinity DataEC50:  1.52E+4nMAssay Description:UNMCMD Assay Overview: Assay Support: 1 R03 MH087406-01A1 Project Title: Identification of broad-spectrum antifungal efflux pump inhibitors ...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetOrexin/Hypocretin receptor type 1(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM75438(2-[4-[5-methoxy-2-(3-methoxyphenyl)-1-benzothiophe...)
Affinity DataIC50:  1.58E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay