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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Peptidase' and Ligand = 'BDBM50483328'   
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)		BDBM50483328
PNG
(CHEMBL387640 | ME1036)
Show SMILES [H][C@]12[C@@H](C)C(=C(N1C(=O)[C@]2([H])[C@@H](C)O)C([O-])=O)c1cn2cnc(C(=O)c3ccc[n+](CC(N)=O)c3)c2s1 |c:4|
Show InChI InChI=1S/C23H21N5O6S/c1-10-15(19(23(33)34)28-18(10)16(11(2)29)21(28)32)13-7-27-9-25-17(22(27)35-13)20(31)12-4-3-5-26(6-12)8-14(24)30/h3-7,9-11,16,18,29H,8H2,1-2H3,(H2-,24,30,33,34)/t10-,11+,16+,18+/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 262n/an/an/an/an/an/a



University of Notre Dame

Curated by ChEMBL


Assay Description
Binding affinity to methicillin-resistant Staphylococcus aureus MF535HR PBP 2a by competitive binding assay

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