BDBM42069 2-acetamido-4,5-dinitro-benzoic acid ethyl ester::2-acetamido-4,5-dinitrobenzoic acid ethyl ester::MLS000698400::SMR000224624::cid_4104905::ethyl 2-(acetylamino)-4,5-dinitrobenzoate::ethyl 2-acetamido-4,5-dinitro-benzoate::ethyl 2-acetamido-4,5-dinitrobenzoate

SMILES CCOC(=O)c1cc(c(cc1NC(C)=O)[N+]([O-])=O)[N+]([O-])=O

InChI Key InChIKey=KYIOKAUDHIQKBS-UHFFFAOYSA-N

Data  7 IC50  2 EC50

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 9 hits for monomerid = 42069   

TargetGalanin receptor type 2(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM42069(2-acetamido-4,5-dinitro-benzoic acid ethyl ester |...)
Show SMILES CCOC(=O)c1cc(c(cc1NC(C)=O)[N+]([O-])=O)[N+]([O-])=O
Show InChI InChI=1S/C11H11N3O7/c1-3-21-11(16)7-4-9(13(17)18)10(14(19)20)5-8(7)12-6(2)15/h4-5H,3H2,1-2H3,(H,12,15)
Affinity DataIC50: 1.03E+4nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Florida Research Institute, TSRI Assay...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGalanin receptor type 2(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM42069(2-acetamido-4,5-dinitro-benzoic acid ethyl ester |...)
Show SMILES CCOC(=O)c1cc(c(cc1NC(C)=O)[N+]([O-])=O)[N+]([O-])=O
Show InChI InChI=1S/C11H11N3O7/c1-3-21-11(16)7-4-9(13(17)18)10(14(19)20)5-8(7)12-6(2)15/h4-5H,3H2,1-2H3,(H,12,15)
Affinity DataIC50: 7.53E+3nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute (TSRI) Assay Provid...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCell division control protein 42 homolog(Homo sapiens (Human))
NMMLSC

Curated by PubChem BioAssay
LigandPNGBDBM42069(2-acetamido-4,5-dinitro-benzoic acid ethyl ester |...)
Show SMILES CCOC(=O)c1cc(c(cc1NC(C)=O)[N+]([O-])=O)[N+]([O-])=O
Show InChI InChI=1S/C11H11N3O7/c1-3-21-11(16)7-4-9(13(17)18)10(14(19)20)5-8(7)12-6(2)15/h4-5H,3H2,1-2H3,(H,12,15)
Affinity DataEC50:  7.18E+3nMAssay Description:University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
LigandPNGBDBM42069(2-acetamido-4,5-dinitro-benzoic acid ethyl ester |...)
Show SMILES CCOC(=O)c1cc(c(cc1NC(C)=O)[N+]([O-])=O)[N+]([O-])=O
Show InChI InChI=1S/C11H11N3O7/c1-3-21-11(16)7-4-9(13(17)18)10(14(19)20)5-8(7)12-6(2)15/h4-5H,3H2,1-2H3,(H,12,15)
Affinity DataEC50:  3.15E+4nMAssay Description:University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetDNA damage-inducible transcript 3 protein(Mus musculus)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM42069(2-acetamido-4,5-dinitro-benzoic acid ethyl ester |...)
Show SMILES CCOC(=O)c1cc(c(cc1NC(C)=O)[N+]([O-])=O)[N+]([O-])=O
Show InChI InChI=1S/C11H11N3O7/c1-3-21-11(16)7-4-9(13(17)18)10(14(19)20)5-8(7)12-6(2)15/h4-5H,3H2,1-2H3,(H,12,15)
Affinity DataIC50: 4.41E+3nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBeta-galactosidase(Escherichia coli)
Burnham Center for Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM42069(2-acetamido-4,5-dinitro-benzoic acid ethyl ester |...)
Show SMILES CCOC(=O)c1cc(c(cc1NC(C)=O)[N+]([O-])=O)[N+]([O-])=O
Show InChI InChI=1S/C11H11N3O7/c1-3-21-11(16)7-4-9(13(17)18)10(14(19)20)5-8(7)12-6(2)15/h4-5H,3H2,1-2H3,(H,12,15)
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
TargetC-C chemokine receptor type 6(Homo sapiens (Human))
Burnham Center for Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM42069(2-acetamido-4,5-dinitro-benzoic acid ethyl ester |...)
Show SMILES CCOC(=O)c1cc(c(cc1NC(C)=O)[N+]([O-])=O)[N+]([O-])=O
Show InChI InChI=1S/C11H11N3O7/c1-3-21-11(16)7-4-9(13(17)18)10(14(19)20)5-8(7)12-6(2)15/h4-5H,3H2,1-2H3,(H,12,15)
Affinity DataIC50: 2.41E+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
TargetX-box-binding protein 1(Homo sapiens (Human))
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM42069(2-acetamido-4,5-dinitro-benzoic acid ethyl ester |...)
Show SMILES CCOC(=O)c1cc(c(cc1NC(C)=O)[N+]([O-])=O)[N+]([O-])=O
Show InChI InChI=1S/C11H11N3O7/c1-3-21-11(16)7-4-9(13(17)18)10(14(19)20)5-8(7)12-6(2)15/h4-5H,3H2,1-2H3,(H,12,15)
Affinity DataIC50: 5.66E+3nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetDNA damage-inducible transcript 3 protein(Mus musculus)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM42069(2-acetamido-4,5-dinitro-benzoic acid ethyl ester |...)
Show SMILES CCOC(=O)c1cc(c(cc1NC(C)=O)[N+]([O-])=O)[N+]([O-])=O
Show InChI InChI=1S/C11H11N3O7/c1-3-21-11(16)7-4-9(13(17)18)10(14(19)20)5-8(7)12-6(2)15/h4-5H,3H2,1-2H3,(H,12,15)
Affinity DataIC50: 4.41E+3nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid