BDBM47632 (2Z)-1-ethyl-2-[(E)-3-(1-ethyl-2-benzo[e][1,3]benzoxazol-1-iumyl)prop-2-enylidene]benzo[e][1,3]benzoxazole;4-methylbenzenesulfonate::(2Z)-1-ethyl-2-[(E)-3-(1-ethylbenzo[e][1,3]benzoxazol-1-ium-2-yl)prop-2-enylidene]benzo[e][1,3]benzoxazole;4-methylbenzenesulfonate::(2Z)-1-ethyl-2-[(E)-3-(1-ethylbenzo[e][1,3]benzoxazol-1-ium-2-yl)prop-2-enylidene]benzo[e][1,3]benzoxazole;tosylate::MLS000711413::SMR000281180::cid_5718631

SMILES CCN1\C(Oc2ccc3ccccc3c12)=C\C=C\c1oc2ccc3ccccc3c2[n+]1CC

InChI Key InChIKey=OJVKTLIEOIDYQI-UHFFFAOYSA-N

Data  4 IC50  2 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 6 hits for monomerid = 47632   

LigandPNGBDBM47632(cid_5718631 | (2Z)-1-ethyl-2-[(E)-3-(1-ethyl-2-ben...)
Affinity DataEC50:  223nMAssay Description:University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-re...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/29/2011
Entry Details
PCBioAssay
TargetAlkaline phosphatase, tissue-nonspecific isozyme(Human)
Sanford-Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM47632(cid_5718631 | (2Z)-1-ethyl-2-[(E)-3-(1-ethyl-2-ben...)
Affinity DataEC50:  1.00E+5nMAssay 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:
7/8/2011
Entry Details
PCBioAssay
TargetBeta-lactamase(Pseudomonas aeruginosa)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM47632(cid_5718631 | (2Z)-1-ethyl-2-[(E)-3-(1-ethyl-2-ben...)
Affinity DataIC50: 5.96E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/11/2011
Entry Details
PCBioAssay
TargetBeta-lactamase(Salmonella enterica subsp. enterica serovar Choler...)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM47632(cid_5718631 | (2Z)-1-ethyl-2-[(E)-3-(1-ethyl-2-ben...)
Affinity DataIC50: 5.96E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/11/2011
Entry Details
PCBioAssay
TargetBeta-lactamase(Pseudomonas aeruginosa)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM47632(cid_5718631 | (2Z)-1-ethyl-2-[(E)-3-(1-ethyl-2-ben...)
Affinity DataIC50: 5.96E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/11/2011
Entry Details
PCBioAssay
TargetGenome polyprotein(DENV-2)
Birla Institute of Technology

Curated by ChEMBL
LigandPNGBDBM47632(cid_5718631 | (2Z)-1-ethyl-2-[(E)-3-(1-ethyl-2-ben...)
Affinity DataIC50: 2.70E+4nMAssay Description:Inhibition of DENV2 NS2B-NS3 proteaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMed