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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-lactamase TEM' and Ligand = 'BDBM50021964'   
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
Beta-lactamase TEM


(Escherichia coli)		BDBM50021964
PNG
(CHEMBL284828 | Sodium; 3-methyl-2,2,6-trioxo-3-(4-...)
Show SMILES C[C@]1(Cn2cc(nn2)[Si](C)(C)C)[C@@H](C2C(CC2=O)S1(=O)=O)C([O-])=O
Show InChI InChI=1S/C14H21N3O5SSi/c1-14(7-17-6-10(15-16-17)24(2,3)4)12(13(19)20)11-8(18)5-9(11)23(14,21)22/h6,9,11-12H,5,7H2,1-4H3,(H,19,20)/p-1/t9?,11?,12-,14-/m0/s1
PDB

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PC cid
PC sid
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Similars
PubMed
n/an/a 510n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against Beta-lactamase from Bacillus sp. using penicillin G as substrate

J Med Chem 30: 1469-74 (1987)


BindingDB Entry DOI: 10.7270/Q28G8JQ0
More data for this
Ligand-Target Pair