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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Beta-lactamase' and Ligand = 'BDBM51949'   
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)
BDBM51949
PNG
((4Z)-4-[hydroxy(phenyl)methylene]-5-(2-pyridyl)-1-...)
Show SMILES O=C(C1C(N(Cc2cccnc2)C(=O)C1=O)c1ccccn1)c1ccccc1
Show InChI InChI=1S/C22H17N3O3/c26-20(16-8-2-1-3-9-16)18-19(17-10-4-5-12-24-17)25(22(28)21(18)27)14-15-7-6-11-23-13-15/h1-13,18-19H,14H2
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.17E+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)
BDBM51949
PNG
((4Z)-4-[hydroxy(phenyl)methylene]-5-(2-pyridyl)-1-...)
Show SMILES O=C(C1C(N(Cc2cccnc2)C(=O)C1=O)c1ccccn1)c1ccccc1
Show InChI InChI=1S/C22H17N3O3/c26-20(16-8-2-1-3-9-16)18-19(17-10-4-5-12-24-17)25(22(28)21(18)27)14-15-7-6-11-23-13-15/h1-13,18-19H,14H2
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 5.00E+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)
BDBM51949
PNG
((4Z)-4-[hydroxy(phenyl)methylene]-5-(2-pyridyl)-1-...)
Show SMILES O=C(C1C(N(Cc2cccnc2)C(=O)C1=O)c1ccccn1)c1ccccc1
Show InChI InChI=1S/C22H17N3O3/c26-20(16-8-2-1-3-9-16)18-19(17-10-4-5-12-24-17)25(22(28)21(18)27)14-15-7-6-11-23-13-15/h1-13,18-19H,14H2
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)
BDBM51949
PNG
((4Z)-4-[hydroxy(phenyl)methylene]-5-(2-pyridyl)-1-...)
Show SMILES O=C(C1C(N(Cc2cccnc2)C(=O)C1=O)c1ccccn1)c1ccccc1
Show InChI InChI=1S/C22H17N3O3/c26-20(16-8-2-1-3-9-16)18-19(17-10-4-5-12-24-17)25(22(28)21(18)27)14-15-7-6-11-23-13-15/h1-13,18-19H,14H2
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