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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Beta-lactamase' and Ligand = 'BDBM51986'   
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)
BDBM51986
PNG
(4-[(2-nitrobenzylidene)amino]-3-(trifluoromethyl)-...)
Show SMILES [O-][N+](=O)c1ccccc1[CH+][N-]n1c(n[nH]c1=S)C(F)(F)F
Show InChI InChI=1S/C10H6F3N5O2S/c11-10(12,13)8-15-16-9(21)17(8)14-5-6-3-1-2-4-7(6)18(19)20/h1-5H,(H,16,21)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 3.12E+3n/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)
BDBM51986
PNG
(4-[(2-nitrobenzylidene)amino]-3-(trifluoromethyl)-...)
Show SMILES [O-][N+](=O)c1ccccc1[CH+][N-]n1c(n[nH]c1=S)C(F)(F)F
Show InChI InChI=1S/C10H6F3N5O2S/c11-10(12,13)8-15-16-9(21)17(8)14-5-6-3-1-2-4-7(6)18(19)20/h1-5H,(H,16,21)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 9.33E+3n/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
Beta-lactamase


(Pseudomonas aeruginosa)
BDBM51986
PNG
(4-[(2-nitrobenzylidene)amino]-3-(trifluoromethyl)-...)
Show SMILES [O-][N+](=O)c1ccccc1[CH+][N-]n1c(n[nH]c1=S)C(F)(F)F
Show InChI InChI=1S/C10H6F3N5O2S/c11-10(12,13)8-15-16-9(21)17(8)14-5-6-3-1-2-4-7(6)18(19)20/h1-5H,(H,16,21)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
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
Beta-lactamase


(Pseudomonas aeruginosa)
BDBM51986
PNG
(4-[(2-nitrobenzylidene)amino]-3-(trifluoromethyl)-...)
Show SMILES [O-][N+](=O)c1ccccc1[CH+][N-]n1c(n[nH]c1=S)C(F)(F)F
Show InChI InChI=1S/C10H6F3N5O2S/c11-10(12,13)8-15-16-9(21)17(8)14-5-6-3-1-2-4-7(6)18(19)20/h1-5H,(H,16,21)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
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