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PubMed code 19289525

Compile data set for download or QSAR
Found 2 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
Peptidase


(Staphylococcus aureus)
BDBM50378857
PNG
(CEFTOBIPROLE | Zeftera | Zevtera)
Show SMILES Nc1nc(ns1)C(N=O)C(=O)N[C@H]1[C@H]2SCC(C=C3CCN([C@@H]4CCNC4)C3=O)=C(N2C1=O)C(O)=O |r,w:17.17,c:31|
Show InChI InChI=1S/C20H22N8O6S2/c21-20-24-14(26-36-20)11(25-34)15(29)23-12-17(31)28-13(19(32)33)9(7-35-18(12)28)5-8-2-4-27(16(8)30)10-1-3-22-6-10/h5,10-12,18,22H,1-4,6-7H2,(H,23,29)(H,32,33)(H2,21,24,26)/t10-,11?,12-,18-/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.90E+3n/an/an/an/a7.4n/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Binding affinity to Staphylococcus aureus ATCC 433000 PBP2a by western blotting at pH 7.4 in presence of 100 uM Bocillin FL


Antimicrob Agents Chemother 53: 2289-97 (2009)


Article DOI: 10.1128/AAC.01135-08
BindingDB Entry DOI: 10.7270/Q2NZ88MK
More data for this
Ligand-Target Pair
Peptidase


(Staphylococcus aureus)
BDBM50378857
PNG
(CEFTOBIPROLE | Zeftera | Zevtera)
Show SMILES Nc1nc(ns1)C(N=O)C(=O)N[C@H]1[C@H]2SCC(C=C3CCN([C@@H]4CCNC4)C3=O)=C(N2C1=O)C(O)=O |r,w:17.17,c:31|
Show InChI InChI=1S/C20H22N8O6S2/c21-20-24-14(26-36-20)11(25-34)15(29)23-12-17(31)28-13(19(32)33)9(7-35-18(12)28)5-8-2-4-27(16(8)30)10-1-3-22-6-10/h5,10-12,18,22H,1-4,6-7H2,(H,23,29)(H,32,33)(H2,21,24,26)/t10-,11?,12-,18-/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.40E+3n/an/an/an/a5.5n/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Binding affinity to Staphylococcus aureus ATCC 433000 PBP2a by western blotting at pH 5.5 in presence of 100 uM Bocillin FL


Antimicrob Agents Chemother 53: 2289-97 (2009)


Article DOI: 10.1128/AAC.01135-08
BindingDB Entry DOI: 10.7270/Q2NZ88MK
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%