BDBM76454 (6Z)-6-[5-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,2-dihydro-1,2,4-triazol-3-ylidene]-1-cyclohexa-2,4-dienone::(6Z)-6-[5-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,2-dihydro-1,2,4-triazol-3-ylidene]cyclohexa-2,4-dien-1-one::(6Z)-6-[5-[(E)-2-(3,4-dimethoxyphenyl)vinyl]-1,2-dihydro-1,2,4-triazol-3-ylidene]cyclohexa-2,4-dien-1-one::2-{3-[2-(3,4-dimethoxyphenyl)vinyl]-1H-1,2,4-triazol-5-yl}phenol::MLS000583690::SMR000199595::cid_5807995

SMILES COc1ccc(C=Cc2nnc([nH]2)-c2ccccc2O)cc1OC

InChI Key InChIKey=BVFYQEXFUILUIC-UHFFFAOYSA-N

Data  5 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 76454   

TargetOrexin/Hypocretin receptor type 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM76454(SMR000199595 | cid_5807995 | MLS000583690 | 2-{3-[...)
Affinity DataIC50: 2.51E+3nMAssay 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 Depth
Date in BDB:
8/3/2011
Entry Details
PCBioAssay
TargetOrexin/Hypocretin receptor type 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM76454(SMR000199595 | cid_5807995 | MLS000583690 | 2-{3-[...)
Affinity DataIC50: 3.21E+3nMAssay 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 Depth
Date in BDB:
8/3/2011
Entry Details
PCBioAssay
TargetSentrin-specific protease 8(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM76454(SMR000199595 | cid_5807995 | MLS000583690 | 2-{3-[...)
Affinity DataIC50: 1.27E+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:
8/1/2011
Entry Details
PCBioAssay
TargetSentrin-specific protease 6(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM76454(SMR000199595 | cid_5807995 | MLS000583690 | 2-{3-[...)
Affinity DataIC50: 1.36E+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:
8/1/2011
Entry Details
PCBioAssay
TargetCaspase-3(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM76454(SMR000199595 | cid_5807995 | MLS000583690 | 2-{3-[...)
Affinity DataIC50: 5.88E+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:
8/1/2011
Entry Details
PCBioAssay