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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Beta-lactamase' and Ligand = 'BDBM66118'   
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)
BDBM66118
PNG
((6E)-5-azanylidene-6-[(4-oxidanylidenechromen-3-yl...)
Show SMILES N=C1N2C=CSC2=NC(=O)\C1=C\c1coc2ccccc2c1=O |c:3,7|
Show InChI InChI=1S/C16H9N3O3S/c17-14-11(15(21)18-16-19(14)5-6-23-16)7-9-8-22-12-4-2-1-3-10(12)13(9)20/h1-8,17H/b11-7+,17-14?
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.55E+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


(Pseudomonas aeruginosa)
BDBM66118
PNG
((6E)-5-azanylidene-6-[(4-oxidanylidenechromen-3-yl...)
Show SMILES N=C1N2C=CSC2=NC(=O)\C1=C\c1coc2ccccc2c1=O |c:3,7|
Show InChI InChI=1S/C16H9N3O3S/c17-14-11(15(21)18-16-19(14)5-6-23-16)7-9-8-22-12-4-2-1-3-10(12)13(9)20/h1-8,17H/b11-7+,17-14?
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 3.64E+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
Beta-lactamase


(Salmonella enterica subsp. enterica serovar Choler...)
BDBM66118
PNG
((6E)-5-azanylidene-6-[(4-oxidanylidenechromen-3-yl...)
Show SMILES N=C1N2C=CSC2=NC(=O)\C1=C\c1coc2ccccc2c1=O |c:3,7|
Show InChI InChI=1S/C16H9N3O3S/c17-14-11(15(21)18-16-19(14)5-6-23-16)7-9-8-22-12-4-2-1-3-10(12)13(9)20/h1-8,17H/b11-7+,17-14?
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

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 (2010)


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