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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Beta-lactamase' and Ligand = 'BDBM50033689'   
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


(Enterobacter cloacae)
BDBM50033689
PNG
(CHEMBL8111 | Sodium; (R)-3-acetoxymethyl-7-dichlor...)
Show SMILES [#6]-[#6](=O)-[#8]-[#6]-[#6]-1=[#6](-[#7]-2-[#6@@H](\[#6](=[#6](\Cl)Cl)-[#6]-2=O)S(=O)(=O)[#6]-1)-[#6](-[#8-])=O |t:5|
Show InChI InChI=1S/C11H9Cl2NO7S/c1-4(15)21-2-5-3-22(19,20)10-6(8(12)13)9(16)14(10)7(5)11(17)18/h10H,2-3H2,1H3,(H,17,18)/p-1/t10-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
The concentration of compound to inhibit beta-lactamase was measured on Enterobacter cloacae P99


J Med Chem 38: 1022-34 (1995)


BindingDB Entry DOI: 10.7270/Q29S1Q29
More data for this
Ligand-Target Pair
Beta-lactamase


(Enterobacter cloacae)
BDBM50033689
PNG
(CHEMBL8111 | Sodium; (R)-3-acetoxymethyl-7-dichlor...)
Show SMILES [#6]-[#6](=O)-[#8]-[#6]-[#6]-1=[#6](-[#7]-2-[#6@@H](\[#6](=[#6](\Cl)Cl)-[#6]-2=O)S(=O)(=O)[#6]-1)-[#6](-[#8-])=O |t:5|
Show InChI InChI=1S/C11H9Cl2NO7S/c1-4(15)21-2-5-3-22(19,20)10-6(8(12)13)9(16)14(10)7(5)11(17)18/h10H,2-3H2,1H3,(H,17,18)/p-1/t10-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
The concentration of compound to inhibit beta-lactamase was measured on E. cloacae SC 12368


J Med Chem 38: 1022-34 (1995)


BindingDB Entry DOI: 10.7270/Q29S1Q29
More data for this
Ligand-Target Pair