BDBM39773 (2Z)-3-ethyl-2-[(1-ethyl-8-methyl-2-quinolin-1-iumyl)methylidene]-1,3-benzothiazole;iodide::(2Z)-3-ethyl-2-[(1-ethyl-8-methyl-quinolin-1-ium-2-yl)methylene]-1,3-benzothiazole;iodide::(2Z)-3-ethyl-2-[(1-ethyl-8-methyl-quinolin-1-ium-2-yl)methylidene]-1,3-benzothiazole;iodide::(2Z)-3-ethyl-2-[(1-ethyl-8-methylquinolin-1-ium-2-yl)methylidene]-1,3-benzothiazole;iodide::1-Ethyl-2-(3-ethyl-3H-benzothiazol-2-ylidenemethyl)-8-methyl-quinolinium::MLS000556089::SMR000177972::cid_11958727

SMILES CCN1\C(Sc2ccccc12)=C\c1ccc2cccc(C)c2[n+]1CC

InChI Key InChIKey=WNDBSXDDIYRNJG-UHFFFAOYSA-N

Data  5 IC50  3 EC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 39773   

TargetAlkaline phosphatase, germ cell type(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM39773(1-Ethyl-2-(3-ethyl-3H-benzothiazol-2-ylidenemethyl...)
Affinity DataIC50: 1.19E+4nMAssay Description:Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/30/2011
Entry Details
PCBioAssay
TargetSphingosine 1-phosphate receptor 2(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM39773(1-Ethyl-2-(3-ethyl-3H-benzothiazol-2-ylidenemethyl...)
Affinity DataIC50: 2.94E+3nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/12/2011
Entry Details
PCBioAssay
TargetSphingosine 1-phosphate receptor 2(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM39773(1-Ethyl-2-(3-ethyl-3H-benzothiazol-2-ylidenemethyl...)
Affinity DataIC50: 686nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/28/2011
Entry Details
PCBioAssay
TargetEphrin type-A receptor 4(Mouse)
Sanford-Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM39773(1-Ethyl-2-(3-ethyl-3H-benzothiazol-2-ylidenemethyl...)
Affinity DataIC50: 4.41E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/27/2011
Entry Details
PCBioAssay
TargetEphrin type-A receptor 4(Mouse)
Sanford-Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM39773(1-Ethyl-2-(3-ethyl-3H-benzothiazol-2-ylidenemethyl...)
Affinity DataIC50: 5.00E+4nMAssay Description:Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/27/2011
Entry Details
PCBioAssay
TargetAlkaline phosphatase, germ cell type(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM39773(1-Ethyl-2-(3-ethyl-3H-benzothiazol-2-ylidenemethyl...)
Affinity DataEC50:  9.99E+5nMAssay Description:Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/8/2011
Entry Details
PCBioAssay
TargetGlycogen synthase kinase-3 beta(Human)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM39773(1-Ethyl-2-(3-ethyl-3H-benzothiazol-2-ylidenemethyl...)
Affinity DataEC50: >3.00E+5nMAssay Description:Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/29/2011
Entry Details
PCBioAssay
TargetVoltage-dependent T-type calcium channel subunit alpha-1H(Human)
Vanderbilt Screening Center For Gpcrs, Ion Channels and Transporters

Curated by PubChem BioAssay
LigandPNGBDBM39773(1-Ethyl-2-(3-ethyl-3H-benzothiazol-2-ylidenemethyl...)
Affinity DataEC50:  1.77E+3nMAssay Description:Assay Provider: Xinmin Xie Assay Provider Affiliation: Bioscience Division, SRI International, Menlo Park, CA Grant Title: HTS Assay for Cav3 T-Type ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/1/2011
Entry Details
PCBioAssay