BDBM42248 9-(3,6-diketocyclohexa-1,4-dien-1-yl)-2-phenethyl-3,6,7,8-tetrahydropyrido[1,2-a]pyrazine-1,4-quinone::9-(3,6-dioxo-1,4-cyclohexadien-1-yl)-2-(2-phenylethyl)-7,8-dihydro-2H-pyrido[1,2-a]pyrazine-1,4(3H,6H)-dione::9-(3,6-dioxo-1-cyclohexa-1,4-dienyl)-2-(2-phenylethyl)-3,6,7,8-tetrahydropyrido[1,2-a]pyrazine-1,4-dione::9-(3,6-dioxocyclohexa-1,4-dien-1-yl)-2-(2-phenylethyl)-3,6,7,8-tetrahydropyrido[1,2-a]pyrazine-1,4-dione::9-[3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]-2-(2-phenylethyl)-3,6,7,8-tetrahydropyrido[1,2-a]pyrazine-1,4-dione::MLS000705957::SMR000226463::cid_998883

SMILES O=C1CN(CCc2ccccc2)C(=O)C2=C(CCCN12)C1=CC(=O)C=CC1=O

InChI Key InChIKey=BUOLDNZXUBADKY-UHFFFAOYSA-N

Data  12 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 14 hits for monomerid = 42248   

TargetTyrosine-protein phosphatase YopH(Yersinia enterocolitica)
University Of Pittsburgh

Curated by PubChem BioAssay
LigandPNGBDBM42248(9-(3,6-diketocyclohexa-1,4-dien-1-yl)-2-phenethyl-...)
Affinity DataIC50: >5.00E+4nMAssay Description:Yersinia pestis is the causal agent of the bubonic plague and, although modern antibiotics are extremely effective against the malady, the plague rem...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PCBioAssay
TargetTyrosine-protein phosphatase YopH(Yersinia enterocolitica)
University Of Pittsburgh

Curated by PubChem BioAssay
LigandPNGBDBM42248(9-(3,6-diketocyclohexa-1,4-dien-1-yl)-2-phenethyl-...)
Affinity DataIC50:  4.54E+4nMAssay Description:Yersinia pestis is the causal agent of the bubonic plague and, although modern antibiotics are extremely effective against the malady, the plague rem...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PCBioAssay
TargetTyrosine-protein phosphatase YopH(Yersinia enterocolitica)
University Of Pittsburgh

Curated by PubChem BioAssay
LigandPNGBDBM42248(9-(3,6-diketocyclohexa-1,4-dien-1-yl)-2-phenethyl-...)
Affinity DataIC50: >5.00E+4nMAssay Description:Yersinia pestis is the causal agent of the bubonic plague and, although modern antibiotics are extremely effective against the malady, the plague rem...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PCBioAssay
TargetInduced myeloid leukemia cell differentiation protein Mcl-1(Homo sapiens (Human))
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM42248(9-(3,6-diketocyclohexa-1,4-dien-1-yl)-2-phenethyl-...)
Affinity DataIC50:  4.75E+3nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Nikolovska-Coleska, Univer...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PCBioAssay
TargetPOsterior Segregation(Caenorhabditis elegans)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM42248(9-(3,6-diketocyclohexa-1,4-dien-1-yl)-2-phenethyl-...)
Affinity DataEC50:  4.59E+4nMAssay Description:Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PCBioAssay
TargetZinc finger protein mex-5(Caenorhabditis elegans)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM42248(9-(3,6-diketocyclohexa-1,4-dien-1-yl)-2-phenethyl-...)
Affinity DataEC50:  1.49E+4nMAssay Description:Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PCBioAssay
TargetHexokinase HKDC1 [W721R](Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM42248(9-(3,6-diketocyclohexa-1,4-dien-1-yl)-2-phenethyl-...)
Affinity DataIC50:  6.85E+3nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails PCBioAssay
TargetC-C chemokine receptor type 6(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM42248(9-(3,6-diketocyclohexa-1,4-dien-1-yl)-2-phenethyl-...)
Affinity DataIC50:  1.67E+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
Ligand InfoPC cidPC sid
In DepthDetails PCBioAssay
TargetDNA dC->dU-editing enzyme APOBEC-3G(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM42248(9-(3,6-diketocyclohexa-1,4-dien-1-yl)-2-phenethyl-...)
Affinity DataIC50:  8.15E+3nMT: 2°CAssay 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
Ligand InfoPC cidPC sid
In DepthDetails PCBioAssay
TargetHexokinase HKDC1 [W721R](Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM42248(9-(3,6-diketocyclohexa-1,4-dien-1-yl)-2-phenethyl-...)
Affinity DataIC50:  3.73E+3nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails PCBioAssay
TargetPerilipin-1(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM42248(9-(3,6-diketocyclohexa-1,4-dien-1-yl)-2-phenethyl-...)
Affinity DataIC50:  4.38E+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
Ligand InfoPC cidPC sid
In DepthDetails PCBioAssay
TargetPerilipin-5(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM42248(9-(3,6-diketocyclohexa-1,4-dien-1-yl)-2-phenethyl-...)
Affinity DataIC50:  5.72E+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
Ligand InfoPC cidPC sid
In DepthDetails PCBioAssay
TargetDNA dC->dU-editing enzyme APOBEC-3A(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM42248(9-(3,6-diketocyclohexa-1,4-dien-1-yl)-2-phenethyl-...)
Affinity DataIC50: >1.00E+5nMT: 2°CAssay 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
Ligand InfoPC cidPC sid
In DepthDetails PCBioAssay
TargetBeta-galactosidase(Escherichia coli)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM42248(9-(3,6-diketocyclohexa-1,4-dien-1-yl)-2-phenethyl-...)
Affinity DataIC50: >6.66E+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
Ligand InfoPC cidPC sid
In DepthDetails PCBioAssay