BDBM71455 2-[1-hydroxy-4-[(4-methoxyphenyl)sulfonylamino]naphthalen-2-yl]sulfanylacetic acid::2-[4-[(4-methoxyphenyl)sulfonylamino]-1-oxidanyl-naphthalen-2-yl]sulfanylethanoic acid::2-[[1-hydroxy-4-[(4-methoxyphenyl)sulfonylamino]-2-naphthalenyl]thio]acetic acid::2-[[1-hydroxy-4-[(4-methoxyphenyl)sulfonylamino]-2-naphthyl]thio]acetic acid::MLS001196210::SMR000558498::[(1-hydroxy-4-{[(4-methoxyphenyl)sulfonyl]amino}-2-naphthyl)thio]acetic acid::cid_2058961

SMILES COc1ccc(cc1)S(=O)(=O)Nc1cc(SCC(O)=O)c(O)c2ccccc12

InChI Key InChIKey=WWPDFQGBFIREKS-UHFFFAOYSA-N

Data  1 KI  10 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 11 hits for monomerid = 71455   

TargetInduced myeloid leukemia cell differentiation protein Mcl-1(Homo sapiens (Human))
University Of Michigan Medical School

Curated by ChEMBL
LigandPNGBDBM71455(2-[1-hydroxy-4-[(4-methoxyphenyl)sulfonylamino]nap...)
Affinity DataKi:  9.31E+3nMAssay Description:Displacement of Flu-BID/FAM-BID from His-tagged MCL1 (171 to 327) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluorescenc...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCaspase-3(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM71455(2-[1-hydroxy-4-[(4-methoxyphenyl)sulfonylamino]nap...)
Affinity DataIC50:  1.12E+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
TargetSentrin-specific protease 8(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM71455(2-[1-hydroxy-4-[(4-methoxyphenyl)sulfonylamino]nap...)
Affinity DataIC50:  9.39E+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
LigandPNGBDBM71455(2-[1-hydroxy-4-[(4-methoxyphenyl)sulfonylamino]nap...)
Affinity DataIC50:  1.20E+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
LigandPNGBDBM71455(2-[1-hydroxy-4-[(4-methoxyphenyl)sulfonylamino]nap...)
Affinity DataIC50:  6.33E+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
TargetApoptotic protease-activating factor 1(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM71455(2-[1-hydroxy-4-[(4-methoxyphenyl)sulfonylamino]nap...)
Affinity DataIC50:  3.18E+4nMAssay 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
LigandPNGBDBM71455(2-[1-hydroxy-4-[(4-methoxyphenyl)sulfonylamino]nap...)
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
TargetTyrosyl-DNA phosphodiesterase 2(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM71455(2-[1-hydroxy-4-[(4-methoxyphenyl)sulfonylamino]nap...)
Affinity DataIC50:  7.59E+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
TargetInduced myeloid leukemia cell differentiation protein Mcl-1(Homo sapiens (Human))
University Of Michigan Medical School

Curated by ChEMBL
LigandPNGBDBM71455(2-[1-hydroxy-4-[(4-methoxyphenyl)sulfonylamino]nap...)
Affinity DataIC50:  7.17E+3nMAssay Description:Binding affinity to His-tagged MCL1 (171 to 327) (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as inhibition of MCL1-N-terminal b...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSentrin-specific protease 6(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM71455(2-[1-hydroxy-4-[(4-methoxyphenyl)sulfonylamino]nap...)
Affinity DataIC50:  3.81E+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
TargetCaspase-9(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM71455(2-[1-hydroxy-4-[(4-methoxyphenyl)sulfonylamino]nap...)
Affinity DataIC50:  1.72E+4nMAssay 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