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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'PBP2A' and Ligand = 'BDBM50213270'   
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
PBP2A


(Staphylococcus aureus)		BDBM50213270
PNG
(CHEMBL33235)
Show SMILES [H][C@]12CC(Sc3nc4c(C[n+]5ccn(C)c5)csc4s3)=C(N1C(=O)[C@]2([H])[C@@H](C)O)C([O-])=O |c:22|
Show InChI InChI=1S/C19H18N4O4S3/c1-9(24)13-11-5-12(15(17(26)27)23(11)16(13)25)29-19-20-14-10(7-28-18(14)30-19)6-22-4-3-21(2)8-22/h3-4,7-9,11,13,24H,5-6H2,1-2H3/t9-,11-,13-/m1/s1
PDB

UniProtKB/TrEMBL

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CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
n/an/a 649n/an/an/an/an/an/a


TBA

Assay Description
Binding affinity towards Penicillin-binding protein 2a from homogeneous MRSA COL strain using [3H]-radioligand

Citation and Details

BindingDB Entry DOI: 10.7270/Q26975R5
More data for this
Ligand-Target Pair