BDBM50703 3-[1-(3,4-Dihydroxy-phenyl)-meth-(E)-ylidene]-4-imino-7-methanesulfonyl-3,4-dihydro-9-thia-1,4a-diaza -fluoren-2-one::4-amino-3-[(Z)-(3-hydroxy-4-keto-cyclohexa-2,5-dien-1-ylidene)methyl]-8-mesyl-pyrimido[2,1-b][1,3]benzothiazol-2-one::4-amino-3-[(Z)-(3-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-8-methylsulfonyl-2-pyrimido[2,1-b][1,3]benzothiazolone::4-amino-3-[(Z)-(3-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-8-methylsulfonylpyrimido[2,1-b][1,3]benzothiazol-2-one::4-azanyl-8-methylsulfonyl-3-[(Z)-(3-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]pyrimido[2,1-b][1,3]benzothiazol-2-one::MLS000779134::SMR000415838::cid_16682713

SMILES CS(=O)(=O)c1ccc2c(c1)sc1nc(=O)c(\C=C3\C=CC(=O)C(O)=C3)c(N)n21

InChI Key InChIKey=WPNXSSIQPFCMBG-UHFFFAOYSA-N

Data  7 IC50  4 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50703   

TargetM18 aspartyl aminopeptidase(Plasmodium falciparum (isolate 3D7))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM50703(SMR000415838 | 3-[1-(3,4-Dihydroxy-phenyl)-meth-(E...)
Affinity DataIC50: 2.16E+3nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/5/2011
Entry Details
PCBioAssay
TargetDual specificity protein phosphatase 3(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM50703(SMR000415838 | 3-[1-(3,4-Dihydroxy-phenyl)-meth-(E...)
Affinity DataIC50: 4.57E+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 Depth
Date in BDB:
5/31/2011
Entry Details
PCBioAssay
LigandPNGBDBM50703(SMR000415838 | 3-[1-(3,4-Dihydroxy-phenyl)-meth-(E...)
Affinity DataIC50: 5.26E+3nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Nikolovska-Coleska, Univer...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/30/2011
Entry Details
PCBioAssay
TargetIntestinal-type alkaline phosphatase 1(Rat)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM50703(SMR000415838 | 3-[1-(3,4-Dihydroxy-phenyl)-meth-(E...)
Affinity DataEC50:  6.35E+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 Depth
Date in BDB:
8/1/2011
Entry Details
PCBioAssay
TargetDual specificity protein phosphatase 3(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM50703(SMR000415838 | 3-[1-(3,4-Dihydroxy-phenyl)-meth-(E...)
Affinity DataIC50: 1.04E+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 Depth
Date in BDB:
7/9/2011
Entry Details
PCBioAssay
TargetM1 family aminopeptidase(Plasmodium falciparum (isolate FcB1 / Columbia))
Srmlsc

Curated by PubChem BioAssay
LigandPNGBDBM50703(SMR000415838 | 3-[1-(3,4-Dihydroxy-phenyl)-meth-(E...)
Affinity DataIC50: 5.12E+4nMAssay Description:Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/4/2011
Entry Details
PCBioAssay
TargetProcathepsin L(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM50703(SMR000415838 | 3-[1-(3,4-Dihydroxy-phenyl)-meth-(E...)
Affinity DataIC50: 5.96E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/5/2011
Entry Details
PCBioAssay
TargetIntestinal-type alkaline phosphatase(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM50703(SMR000415838 | 3-[1-(3,4-Dihydroxy-phenyl)-meth-(E...)
Affinity DataEC50:  6.10E+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 Depth
Date in BDB:
8/1/2011
Entry Details
PCBioAssay
TargetAlkaline phosphatase, tissue-nonspecific isozyme(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM50703(SMR000415838 | 3-[1-(3,4-Dihydroxy-phenyl)-meth-(E...)
Affinity DataEC50:  7.75E+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 Depth
Date in BDB:
8/1/2011
Entry Details
PCBioAssay
TargetAlkaline phosphatase, germ cell type(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM50703(SMR000415838 | 3-[1-(3,4-Dihydroxy-phenyl)-meth-(E...)
Affinity DataEC50:  8.35E+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 Depth
Date in BDB:
8/1/2011
Entry Details
PCBioAssay
TargetDual specificity protein phosphatase 6(Rat)
Sanford-Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM50703(SMR000415838 | 3-[1-(3,4-Dihydroxy-phenyl)-meth-(E...)
Affinity DataIC50: 1.13E+5nMAssay 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 Depth
Date in BDB:
6/4/2011
Entry Details
PCBioAssay