BDBM48036 3-[[(4E)-4-(4-ethylphenyl)sulfonylimino-1-keto-2-naphthyl]amino]benzoic acid::3-[[(4E)-4-(4-ethylphenyl)sulfonylimino-1-oxidanylidene-naphthalen-2-yl]amino]benzoic acid::3-[[(4E)-4-(4-ethylphenyl)sulfonylimino-1-oxo-2-naphthalenyl]amino]benzoic acid::3-[[(4E)-4-(4-ethylphenyl)sulfonylimino-1-oxonaphthalen-2-yl]amino]benzoic acid::MLS000948071::SMR000620248::cid_5824727

SMILES CCc1ccc(cc1)S(=O)(=O)N=C1C=C(Nc2cccc(c2)C(O)=O)C(=O)c2ccccc12

InChI Key InChIKey=RYVRPCQNGCQISY-UHFFFAOYSA-N

Data  9 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 9 hits for monomerid = 48036   

TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM48036(3-[[(4E)-4-(4-ethylphenyl)sulfonylimino-1-keto-2-n...)
Affinity DataIC50:  926nMAssay 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
TargetSerine/threonine-protein phosphatase PP1-alpha catalytic subunit(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM48036(3-[[(4E)-4-(4-ethylphenyl)sulfonylimino-1-keto-2-n...)
Affinity DataIC50:  2.27E+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
TargetSerine/threonine-protein phosphatase(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM48036(3-[[(4E)-4-(4-ethylphenyl)sulfonylimino-1-keto-2-n...)
Affinity DataIC50:  6.85E+3nMAssay 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
TargetHexokinase HKDC1 [W721R](Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM48036(3-[[(4E)-4-(4-ethylphenyl)sulfonylimino-1-keto-2-n...)
Affinity DataIC50:  4.78E+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
LigandPNGBDBM48036(3-[[(4E)-4-(4-ethylphenyl)sulfonylimino-1-keto-2-n...)
Affinity DataIC50:  2.20E+3nMAssay 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
TargetCaspase-9(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM48036(3-[[(4E)-4-(4-ethylphenyl)sulfonylimino-1-keto-2-n...)
Affinity DataIC50:  7.64E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetApoptotic protease-activating factor 1(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM48036(3-[[(4E)-4-(4-ethylphenyl)sulfonylimino-1-keto-2-n...)
Affinity DataIC50:  7.07E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetApoptotic protease-activating factor 1(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM48036(3-[[(4E)-4-(4-ethylphenyl)sulfonylimino-1-keto-2-n...)
Affinity DataIC50: >1.00E+5nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, 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
LigandPNGBDBM48036(3-[[(4E)-4-(4-ethylphenyl)sulfonylimino-1-keto-2-n...)
Affinity DataIC50:  5.83E+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