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PubMed code 24443569

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


(Acinetobacter baumannii)
BDBM227598
PNG
(Penem 1)
Show SMILES [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2CSCn2n1
Show InChI InChI=1S/C12H9N3O3S2/c16-10-8(11-15(10)9(4-20-11)12(17)18)2-6-1-7-3-19-5-14(7)13-6/h1-2,4,11H,3,5H2,(H,17,18)/p-1/b8-2-/t11-/m1/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
30n/a 150n/an/an/an/a7.2n/a



Case Western Reserve University



Assay Description
Steady-state kinetics were performed on an Agilent 8453 diode array spectrophotometer (Palo Alto, CA) in 50 mM sodium phosphate buffer (pH 7.2) suppl...


J Biol Chem 289: 6152-64 (2014)


Article DOI: 10.1074/jbc.M113.533562
BindingDB Entry DOI: 10.7270/Q2CN72SC
More data for this
Ligand-Target Pair
Class D β-lactamase (OXA-1)


(Escherichia coli (Enterobacteria))
BDBM227598
PNG
(Penem 1)
Show SMILES [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2CSCn2n1
Show InChI InChI=1S/C12H9N3O3S2/c16-10-8(11-15(10)9(4-20-11)12(17)18)2-6-1-7-3-19-5-14(7)13-6/h1-2,4,11H,3,5H2,(H,17,18)/p-1/b8-2-/t11-/m1/s1
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
50n/a 30n/an/an/an/a7.2n/a



Case Western Reserve University



Assay Description
Steady-state kinetics were performed on an Agilent 8453 diode array spectrophotometer (Palo Alto, CA) in 50 mM sodium phosphate buffer (pH 7.2) suppl...


J Biol Chem 289: 6152-64 (2014)


Article DOI: 10.1074/jbc.M113.533562
BindingDB Entry DOI: 10.7270/Q2CN72SC
More data for this
Ligand-Target Pair
Beta-lactamase


(Acinetobacter baumannii)
BDBM227599
PNG
(Penem 3)
Show SMILES [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cn2CCOCc2n1
Show InChI InChI=1S/C13H11N3O4S/c17-11-8(12-16(11)9(6-21-12)13(18)19)3-7-4-15-1-2-20-5-10(15)14-7/h3-4,6,12H,1-2,5H2,(H,18,19)/p-1/b8-3-/t12-/m1/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
150n/a 160n/an/an/an/a7.2n/a



Case Western Reserve University



Assay Description
Steady-state kinetics were performed on an Agilent 8453 diode array spectrophotometer (Palo Alto, CA) in 50 mM sodium phosphate buffer (pH 7.2) suppl...


J Biol Chem 289: 6152-64 (2014)


Article DOI: 10.1074/jbc.M113.533562
BindingDB Entry DOI: 10.7270/Q2CN72SC
More data for this
Ligand-Target Pair
Class D β-lactamase (OXA-1)


(Escherichia coli (Enterobacteria))
BDBM227599
PNG
(Penem 3)
Show SMILES [O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cn2CCOCc2n1
Show InChI InChI=1S/C13H11N3O4S/c17-11-8(12-16(11)9(6-21-12)13(18)19)3-7-4-15-1-2-20-5-10(15)14-7/h3-4,6,12H,1-2,5H2,(H,18,19)/p-1/b8-3-/t12-/m1/s1
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
380n/a 60n/an/an/an/a7.2n/a



Case Western Reserve University



Assay Description
Steady-state kinetics were performed on an Agilent 8453 diode array spectrophotometer (Palo Alto, CA) in 50 mM sodium phosphate buffer (pH 7.2) suppl...


J Biol Chem 289: 6152-64 (2014)


Article DOI: 10.1074/jbc.M113.533562
BindingDB Entry DOI: 10.7270/Q2CN72SC
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%