BDBM80746 2-chloranyl-3-phenoxy-naphthalene-1,4-dione::2-chloro-3-phenoxy-1,4-naphthoquinone::2-chloro-3-phenoxynaphthalene-1,4-dione::MLS002637574::SMR001547105::cid_219799

SMILES ClC1=C(Oc2ccccc2)C(=O)c2ccccc2C1=O

InChI Key InChIKey=QPTXRNYONDDBEL-UHFFFAOYSA-N

Data  4 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 4 hits for monomerid = 80746   

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

Curated by PubChem BioAssay
LigandPNGBDBM80746(2-chloranyl-3-phenoxy-naphthalene-1,4-dione | 2-ch...)
Affinity DataIC50:  4.47E+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
TargetToll-like receptor 9(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM80746(2-chloranyl-3-phenoxy-naphthalene-1,4-dione | 2-ch...)
Affinity DataIC50:  2.63E+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
LigandPNGBDBM80746(2-chloranyl-3-phenoxy-naphthalene-1,4-dione | 2-ch...)
Affinity DataIC50:  1.02E+4nMAssay 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
TargetHexokinase HKDC1 [W721R](Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM80746(2-chloranyl-3-phenoxy-naphthalene-1,4-dione | 2-ch...)
Affinity DataIC50:  1.00E+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 DepthDetails PCBioAssay