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PubMed code 20299220

Compile data set for download or QSAR
Found 4 hits of Enzyme Inhibition Constant Data   
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 SHV-5


(Klebsiella pneumoniae)		BDBM50315411
PNG
(4,7-Dichloro-1-benzothien-2-yl sulfonylaminomethyl...)
Show SMILES OB(O)CNS(=O)(=O)c1cc2c(Cl)ccc(Cl)c2s1
Show InChI InChI=1S/C9H8BCl2NO4S2/c11-6-1-2-7(12)9-5(6)3-8(18-9)19(16,17)13-4-10(14)15/h1-3,13-15H,4H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 570n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of Klebsiella pneumoniae beta-lactamase SHV5

Bioorg Med Chem Lett 20: 2622-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.065
BindingDB Entry DOI: 10.7270/Q2ZS2WN8
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)		BDBM50315411
PNG
(4,7-Dichloro-1-benzothien-2-yl sulfonylaminomethyl...)
Show SMILES OB(O)CNS(=O)(=O)c1cc2c(Cl)ccc(Cl)c2s1
Show InChI InChI=1S/C9H8BCl2NO4S2/c11-6-1-2-7(12)9-5(6)3-8(18-9)19(16,17)13-4-10(14)15/h1-3,13-15H,4H2
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 620n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of Enterobacter colacae P99 Beta-lactamase

Bioorg Med Chem Lett 20: 2622-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.065
BindingDB Entry DOI: 10.7270/Q2ZS2WN8
More data for this
Ligand-Target Pair
Beta-lactamase


(Pseudomonas aeruginosa (PAO1))		BDBM50315411
PNG
(4,7-Dichloro-1-benzothien-2-yl sulfonylaminomethyl...)
Show SMILES OB(O)CNS(=O)(=O)c1cc2c(Cl)ccc(Cl)c2s1
Show InChI InChI=1S/C9H8BCl2NO4S2/c11-6-1-2-7(12)9-5(6)3-8(18-9)19(16,17)13-4-10(14)15/h1-3,13-15H,4H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa beta-lactamase AmpC

Bioorg Med Chem Lett 20: 2622-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.065
BindingDB Entry DOI: 10.7270/Q2ZS2WN8
More data for this
Ligand-Target Pair
Oxa40


(Acinetobacter baumannii)		BDBM50315411
PNG
(4,7-Dichloro-1-benzothien-2-yl sulfonylaminomethyl...)
Show SMILES OB(O)CNS(=O)(=O)c1cc2c(Cl)ccc(Cl)c2s1
Show InChI InChI=1S/C9H8BCl2NO4S2/c11-6-1-2-7(12)9-5(6)3-8(18-9)19(16,17)13-4-10(14)15/h1-3,13-15H,4H2
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.60E+3n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of Acinetobacter baumannii beta-lactamase OXA40

Bioorg Med Chem Lett 20: 2622-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.065
BindingDB Entry DOI: 10.7270/Q2ZS2WN8
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%