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PubMed code 18505853

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 3.20E+3n/an/an/an/an/an/a



The Rockefeller University

Curated by ChEMBL


Assay Description
Inhibition of methicillin-resistant Staphylococcus aureus COL PBP2a by competitive assay


Antimicrob Agents Chemother 52: 2709-17 (2008)


Article DOI: 10.1128/AAC.00266-08
BindingDB Entry DOI: 10.7270/Q2GH9JX8
More data for this
Ligand-Target Pair
Peptidase


(Staphylococcus aureus)
BDBM50350483
PNG
(Bactocill | OXACILLIN)
Show SMILES Cc1onc(c1C(=O)N[C@H]1[C@H]2SC(C)(C)[C@@H](N2C1=O)C(O)=O)-c1ccccc1 |r|
Show InChI InChI=1S/C19H19N3O5S/c1-9-11(12(21-27-9)10-7-5-4-6-8-10)15(23)20-13-16(24)22-14(18(25)26)19(2,3)28-17(13)22/h4-8,13-14,17H,1-3H3,(H,20,23)(H,25,26)/t13-,14+,17-/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

DrugBank
MCE
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 7.10E+5n/an/an/an/an/an/a



The Rockefeller University

Curated by ChEMBL


Assay Description
Inhibition of methicillin-resistant Staphylococcus aureus COL PBP2a by competitive assay


Antimicrob Agents Chemother 52: 2709-17 (2008)


Article DOI: 10.1128/AAC.00266-08
BindingDB Entry DOI: 10.7270/Q2GH9JX8
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%