BDBM80757 MLS002701980::N-(3-chloro-1,4-diketo-2-naphthyl)butyramide::N-(3-chloro-1,4-dioxo-2-naphthalenyl)butanamide::N-(3-chloro-1,4-dioxonaphthalen-2-yl)butanamide::N-[3-chloranyl-1,4-bis(oxidanylidene)naphthalen-2-yl]butanamide::SMR001565557::cid_276685

SMILES CCCC(=O)NC1=C(Cl)C(=O)c2ccccc2C1=O

InChI Key InChIKey=QRIWUMQXJVSZPA-UHFFFAOYSA-N

Data  5 IC50

  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 5 hits for monomerid = 80757   

TargetHexokinase HKDC1 [W721R](Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM80757(MLS002701980 | N-(3-chloro-1,4-diketo-2-naphthyl)b...)
Affinity DataIC50:  3.93E+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
In DepthDetails PCBioAssay
TargetHexokinase HKDC1 [W721R](Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM80757(MLS002701980 | N-(3-chloro-1,4-diketo-2-naphthyl)b...)
Affinity DataIC50:  3.06E+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
In DepthDetails PCBioAssay
TargetTyrosyl-DNA phosphodiesterase 2(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM80757(MLS002701980 | N-(3-chloro-1,4-diketo-2-naphthyl)b...)
Affinity DataIC50:  1.18E+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 DepthDetails PCBioAssay
TargetToll-like receptor 9(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM80757(MLS002701980 | N-(3-chloro-1,4-diketo-2-naphthyl)b...)
Affinity DataIC50:  4.12E+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 DepthDetails PCBioAssay
TargetBeta-lactamase(Pseudomonas aeruginosa)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM80757(MLS002701980 | N-(3-chloro-1,4-diketo-2-naphthyl)b...)
Affinity DataIC50:  6.78E+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 DepthDetails PCBioAssay