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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Metallo-beta-lactamase type 2' and Ligand = 'BDBM50076672'   
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
Metallo-beta-lactamase type 2


(Bacillus cereus)		BDBM50076672
PNG
((2S,5R,6S)-6-Hydroxymethyl-3,3-dimethyl-4,4,7-trio...)
Show SMILES CC1(C)[C@@H](N2[C@@H]([C@@H](CO)C2=O)S1(=O)=O)C(O)=O
Show InChI InChI=1S/C9H13NO6S/c1-9(2)5(8(13)14)10-6(12)4(3-11)7(10)17(9,15)16/h4-5,7,11H,3H2,1-2H3,(H,13,14)/t4-,5-,7+/m0/s1
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KEGG

UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>2.00E+5n/an/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Inhibition of class B (BCII) metallo-beta-lactamase representative enzyme

Bioorg Med Chem Lett 14: 1299-304 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.037
BindingDB Entry DOI: 10.7270/Q22Z14ZG
More data for this
Ligand-Target Pair