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Compile Data Set for Download or QSAR

Found 3 hits of ki for UniProtKB: P00808   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Beta-lactamase


(Bacillus licheniformis)
BDBM50244091
PNG
(1,2-Dicarboxy-1-carboxymethyl-ethyl-ammonium chlor...)
Show SMILES [NH3+]C(CC(O)=O)(CC(O)=O)C(O)=O
Show InChI InChI=1S/C6H9NO6/c7-6(5(12)13,1-3(8)9)2-4(10)11/h1-2,7H2,(H,8,9)(H,10,11)(H,12,13)/p+1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
2.50E+5n/an/an/an/an/an/a5.0n/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Competitive inhibition of Bacillus licheniformis BS3 beta-lactamase at pH 5


Bioorg Med Chem Lett 19: 3593-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.149
More data for this
Ligand-Target Pair
Beta-lactamase


(Bacillus licheniformis)
BDBM14672
PNG
(2-hydroxypropane-1,2,3-tricarboxylic acid | CHEMBL...)
Show SMILES OC(=O)CC(O)(CC(O)=O)C(O)=O
Show InChI InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

PDB
Article
PubMed
4.90E+5n/an/an/an/an/an/a5.0n/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of Bacillus licheniformis BS3 beta-lactamase at pH 5


Bioorg Med Chem Lett 19: 3593-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.149
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-lactamase


(Bacillus licheniformis)
BDBM50244093
PNG
(1-hydroxypropane-1,2,3-tricarboxylate | isocitrate...)
Show SMILES OC(C(CC([O-])=O)C([O-])=O)C([O-])=O
Show InChI InChI=1S/C6H8O7/c7-3(8)1-2(5(10)11)4(9)6(12)13/h2,4,9H,1H2,(H,7,8)(H,10,11)(H,12,13)/p-3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

KEGG
PC cid
PC sid
UniChem

Patents

Article
PubMed
2.20E+6n/an/an/an/an/an/a5.0n/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of Bacillus licheniformis BS3 beta-lactamase at pH 5


Bioorg Med Chem Lett 19: 3593-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.149
More data for this
Ligand-Target Pair