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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Beta-lactamase' and Ligand = 'BDBM64722'   
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)
BDBM64722
PNG
(1-isopropyl-3-[(E)-2-(1-methylpyridin-1-ium-4-yl)v...)
Show SMILES CC(C)n1cc(\C=C\c2cc[n+](C)cc2)c2ccccc12
Show InChI InChI=1S/C19H21N2/c1-15(2)21-14-17(18-6-4-5-7-19(18)21)9-8-16-10-12-20(3)13-11-16/h4-15H,1-3H3/q+1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.90E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2S75DSB
More data for this
Ligand-Target Pair
Beta-lactamase


(Salmonella enterica subsp. enterica serovar Choler...)
BDBM64722
PNG
(1-isopropyl-3-[(E)-2-(1-methylpyridin-1-ium-4-yl)v...)
Show SMILES CC(C)n1cc(\C=C\c2cc[n+](C)cc2)c2ccccc12
Show InChI InChI=1S/C19H21N2/c1-15(2)21-14-17(18-6-4-5-7-19(18)21)9-8-16-10-12-20(3)13-11-16/h4-15H,1-3H3/q+1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.01E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2NG4P3G
More data for this
Ligand-Target Pair
Beta-lactamase


(Pseudomonas aeruginosa)
BDBM64722
PNG
(1-isopropyl-3-[(E)-2-(1-methylpyridin-1-ium-4-yl)v...)
Show SMILES CC(C)n1cc(\C=C\c2cc[n+](C)cc2)c2ccccc12
Show InChI InChI=1S/C19H21N2/c1-15(2)21-14-17(18-6-4-5-7-19(18)21)9-8-16-10-12-20(3)13-11-16/h4-15H,1-3H3/q+1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.18E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2HT2MRM
More data for this
Ligand-Target Pair