BDBM79977 3-(4-fluorobenzyl)-1,4-diketo-naphthalene-2-carboxylic acid ethyl ester::3-[(4-fluorophenyl)methyl]-1,4-dioxo-2-naphthalenecarboxylic acid ethyl ester::MLS000532054::SMR000136996::cid_755636::ethyl 3-(4-fluorobenzyl)-1,4-dioxo-1,4-dihydro-2-naphthalenecarboxylate::ethyl 3-[(4-fluorophenyl)methyl]-1,4-bis(oxidanylidene)naphthalene-2-carboxylate::ethyl 3-[(4-fluorophenyl)methyl]-1,4-dioxonaphthalene-2-carboxylate

SMILES CCOC(=O)C1=C(Cc2ccc(F)cc2)C(=O)c2ccccc2C1=O

InChI Key InChIKey=LFEASAQKZPZJMF-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 = 79977   

TargetBeta-galactosidase(Escherichia coli)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM79977(3-(4-fluorobenzyl)-1,4-diketo-naphthalene-2-carbox...)
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
In DepthDetails PCBioAssay
TargetHexokinase HKDC1 [W721R](Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM79977(3-(4-fluorobenzyl)-1,4-diketo-naphthalene-2-carbox...)
Affinity DataIC50:  2.54E+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
TargetHexokinase HKDC1 [W721R](Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM79977(3-(4-fluorobenzyl)-1,4-diketo-naphthalene-2-carbox...)
Affinity DataIC50:  1.14E+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
TargetC-C chemokine receptor type 6(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM79977(3-(4-fluorobenzyl)-1,4-diketo-naphthalene-2-carbox...)
Affinity DataIC50:  6.15E+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
In DepthDetails PCBioAssay