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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Beta-lactamase' and Ligand = 'BDBM52014'   
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)
BDBM52014
PNG
(3-ethyl-4-[[(Z)-2-methyl-3-phenyl-prop-2-enylidene...)
Show SMILES CCc1n[nH]c(=S)n1N=CC(C)=Cc1ccccc1 |w:8.8,12.13|
Show InChI InChI=1S/C14H16N4S/c1-3-13-16-17-14(19)18(13)15-10-11(2)9-12-7-5-4-6-8-12/h4-10H,3H2,1-2H3,(H,17,19)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 332n/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)
BDBM52014
PNG
(3-ethyl-4-[[(Z)-2-methyl-3-phenyl-prop-2-enylidene...)
Show SMILES CCc1n[nH]c(=S)n1N=CC(C)=Cc1ccccc1 |w:8.8,12.13|
Show InChI InChI=1S/C14H16N4S/c1-3-13-16-17-14(19)18(13)15-10-11(2)9-12-7-5-4-6-8-12/h4-10H,3H2,1-2H3,(H,17,19)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.23E+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)
BDBM52014
PNG
(3-ethyl-4-[[(Z)-2-methyl-3-phenyl-prop-2-enylidene...)
Show SMILES CCc1n[nH]c(=S)n1N=CC(C)=Cc1ccccc1 |w:8.8,12.13|
Show InChI InChI=1S/C14H16N4S/c1-3-13-16-17-14(19)18(13)15-10-11(2)9-12-7-5-4-6-8-12/h4-10H,3H2,1-2H3,(H,17,19)
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)
BDBM52014
PNG
(3-ethyl-4-[[(Z)-2-methyl-3-phenyl-prop-2-enylidene...)
Show SMILES CCc1n[nH]c(=S)n1N=CC(C)=Cc1ccccc1 |w:8.8,12.13|
Show InChI InChI=1S/C14H16N4S/c1-3-13-16-17-14(19)18(13)15-10-11(2)9-12-7-5-4-6-8-12/h4-10H,3H2,1-2H3,(H,17,19)
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