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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Peptidase' and Ligand = 'BDBM50483327'   
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)		BDBM50483327
PNG
(CEFTOBIPROLE MEDOCARIL)
Show SMILES [H][C@]12SCC(\C=C3/CCN([C@@H]4CCN(C4)C(=O)OCc4oc(=O)oc4C)C3=O)=C(N1C(=O)[C@H]2NC(=O)C(=N\O)\c1nsc(N)n1)C(O)=O |r,c:30|
Show InChI InChI=1S/C26H26N8O11S2/c1-10-14(45-26(41)44-10)8-43-25(40)32-4-3-13(7-32)33-5-2-11(20(33)36)6-12-9-46-22-16(21(37)34(22)17(12)23(38)39)28-19(35)15(30-42)18-29-24(27)47-31-18/h6,13,16,22,42H,2-5,7-9H2,1H3,(H,28,35)(H,38,39)(H2,27,29,31)/b11-6+,30-15+/t13-,16-,22-/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.30E+3n/an/an/an/an/an/a



University of Notre Dame

Curated by ChEMBL


Assay Description
Inhibition of methicillin-resistant Staphylococcus aureus OC 3726 PBP 2a

Antimicrob Agents Chemother 53: 4051-63 (2009)


Article DOI: 10.1128/AAC.00084-09
BindingDB Entry DOI: 10.7270/Q2R21479
More data for this
Ligand-Target Pair