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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Penicillin-binding protein 2' and Ligand = 'BDBM50103601'   
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
Penicillin-binding protein 2


(Staphylococcus aureus)		BDBM50103601
PNG
(CHEBI:29007 | Ceftriaxone)
Show SMILES [H][C@@]1(NC(=O)C(=N/OC)\c2csc(N)n2)C(=O)N2C(C(O)=O)=C(CSc3nc(=O)c(O)nn3C)CS[C@]12[H] |t:22|
Show InChI InChI=1S/C18H18N8O7S3/c1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7/h5,9,15H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,23,29)(H,31,32)/b24-8-/t9-,15-/m1/s1
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MMDB

KEGG

UniProtKB/TrEMBL

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KEGG
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 180n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of bocillin FL binding to methicillin-susceptible Staphylococcus aureus ATCC 29213 penicillin-binding protein 2

Antimicrob Agents Chemother 51: 2621-4 (2007)


Article DOI: 10.1128/aac.00029-07
BindingDB Entry DOI: 10.7270/Q2VH5RN2
More data for this
Ligand-Target Pair