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Compile Data Set for Download or QSAR

Found 6 hits of ic50 for monomerid = 51992   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Beta-lactamase


(Pseudomonas aeruginosa)
BDBM51992
PNG
(3-[[(E)-[2-(4-bromobenzyl)oxybenzylidene]amino]thi...)
Show SMILES OC(=O)c1cccc(NC(=S)NN=Cc2ccccc2OCc2ccc(Br)cc2)c1 |w:12.11|
Show InChI InChI=1S/C22H18BrN3O3S/c23-18-10-8-15(9-11-18)14-29-20-7-2-1-4-17(20)13-24-26-22(30)25-19-6-3-5-16(12-19)21(27)28/h1-13H,14H2,(H,27,28)(H2,25,26,30)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
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n/an/a 885n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NS0S90
More data for this
Ligand-Target Pair
Beta-lactamase


(Pseudomonas aeruginosa)
BDBM51992
PNG
(3-[[(E)-[2-(4-bromobenzyl)oxybenzylidene]amino]thi...)
Show SMILES OC(=O)c1cccc(NC(=S)NN=Cc2ccccc2OCc2ccc(Br)cc2)c1 |w:12.11|
Show InChI InChI=1S/C22H18BrN3O3S/c23-18-10-8-15(9-11-18)14-29-20-7-2-1-4-17(20)13-24-26-22(30)25-19-6-3-5-16(12-19)21(27)28/h1-13H,14H2,(H,27,28)(H2,25,26,30)
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KEGG

UniProtKB/TrEMBL

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n/an/a 1.00E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2X63KBQ
More data for this
Ligand-Target Pair
M17 leucyl aminopeptidase


(Plasmodium falciparum 3D7)
BDBM51992
PNG
(3-[[(E)-[2-(4-bromobenzyl)oxybenzylidene]amino]thi...)
Show SMILES OC(=O)c1cccc(NC(=S)NN=Cc2ccccc2OCc2ccc(Br)cc2)c1 |w:12.11|
Show InChI InChI=1S/C22H18BrN3O3S/c23-18-10-8-15(9-11-18)14-29-20-7-2-1-4-17(20)13-24-26-22(30)25-19-6-3-5-16(12-19)21(27)28/h1-13H,14H2,(H,27,28)(H2,25,26,30)
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n/an/a 1.34E+4n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q27W69N8
More data for this
Ligand-Target Pair
Probable nicotinate-nucleotide adenylyltransferase


(Staphylococcus aureus subsp. aureus N315)
BDBM51992
PNG
(3-[[(E)-[2-(4-bromobenzyl)oxybenzylidene]amino]thi...)
Show SMILES OC(=O)c1cccc(NC(=S)NN=Cc2ccccc2OCc2ccc(Br)cc2)c1 |w:12.11|
Show InChI InChI=1S/C22H18BrN3O3S/c23-18-10-8-15(9-11-18)14-29-20-7-2-1-4-17(20)13-24-26-22(30)25-19-6-3-5-16(12-19)21(27)28/h1-13H,14H2,(H,27,28)(H2,25,26,30)
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n/an/a 1.54E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2BV7F7H
More data for this
Ligand-Target Pair
Beta-lactamase


(Pseudomonas aeruginosa)
BDBM51992
PNG
(3-[[(E)-[2-(4-bromobenzyl)oxybenzylidene]amino]thi...)
Show SMILES OC(=O)c1cccc(NC(=S)NN=Cc2ccccc2OCc2ccc(Br)cc2)c1 |w:12.11|
Show InChI InChI=1S/C22H18BrN3O3S/c23-18-10-8-15(9-11-18)14-29-20-7-2-1-4-17(20)13-24-26-22(30)25-19-6-3-5-16(12-19)21(27)28/h1-13H,14H2,(H,27,28)(H2,25,26,30)
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UniProtKB/TrEMBL

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n/an/a 5.96E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SF2TM0
More data for this
Ligand-Target Pair
Beta-lactamase


(Pseudomonas aeruginosa)
BDBM51992
PNG
(3-[[(E)-[2-(4-bromobenzyl)oxybenzylidene]amino]thi...)
Show SMILES OC(=O)c1cccc(NC(=S)NN=Cc2ccccc2OCc2ccc(Br)cc2)c1 |w:12.11|
Show InChI InChI=1S/C22H18BrN3O3S/c23-18-10-8-15(9-11-18)14-29-20-7-2-1-4-17(20)13-24-26-22(30)25-19-6-3-5-16(12-19)21(27)28/h1-13H,14H2,(H,27,28)(H2,25,26,30)
PDB
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UniProtKB/TrEMBL

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n/an/a 5.96E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2J101MD
More data for this
Ligand-Target Pair