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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Beta-lactamase' and Ligand = 'BDBM51958'   
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)
BDBM51958
PNG
(2,2-Dimethyl-N-(5-{[(thiophen-2-ylmethyl)-carbamoy...)
Show SMILES CC(C)(C)C(=O)Nc1nnc(SCC(=O)NCc2cccs2)s1
Show InChI InChI=1S/C14H18N4O2S3/c1-14(2,3)11(20)16-12-17-18-13(23-12)22-8-10(19)15-7-9-5-4-6-21-9/h4-6H,7-8H2,1-3H3,(H,15,19)(H,16,17,20)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 874n/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)
BDBM51958
PNG
(2,2-Dimethyl-N-(5-{[(thiophen-2-ylmethyl)-carbamoy...)
Show SMILES CC(C)(C)C(=O)Nc1nnc(SCC(=O)NCc2cccs2)s1
Show InChI InChI=1S/C14H18N4O2S3/c1-14(2,3)11(20)16-12-17-18-13(23-12)22-8-10(19)15-7-9-5-4-6-21-9/h4-6H,7-8H2,1-3H3,(H,15,19)(H,16,17,20)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.62E+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)
BDBM51958
PNG
(2,2-Dimethyl-N-(5-{[(thiophen-2-ylmethyl)-carbamoy...)
Show SMILES CC(C)(C)C(=O)Nc1nnc(SCC(=O)NCc2cccs2)s1
Show InChI InChI=1S/C14H18N4O2S3/c1-14(2,3)11(20)16-12-17-18-13(23-12)22-8-10(19)15-7-9-5-4-6-21-9/h4-6H,7-8H2,1-3H3,(H,15,19)(H,16,17,20)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
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 (2009)


BindingDB Entry DOI: 10.7270/Q2J101MD
More data for this
Ligand-Target Pair
Beta-lactamase


(Pseudomonas aeruginosa)
BDBM51958
PNG
(2,2-Dimethyl-N-(5-{[(thiophen-2-ylmethyl)-carbamoy...)
Show SMILES CC(C)(C)C(=O)Nc1nnc(SCC(=O)NCc2cccs2)s1
Show InChI InChI=1S/C14H18N4O2S3/c1-14(2,3)11(20)16-12-17-18-13(23-12)22-8-10(19)15-7-9-5-4-6-21-9/h4-6H,7-8H2,1-3H3,(H,15,19)(H,16,17,20)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
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 (2009)


BindingDB Entry DOI: 10.7270/Q2SF2TM0
More data for this
Ligand-Target Pair