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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 = 'BDBM50021963'   
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)		BDBM50021963
PNG
(CHEMBL33711 | Sodium; 3-(4-methoxycarbonyl-[1,2,3]...)
Show SMILES COC(=O)c1cn(C[C@@]2(C)[C@@H](C3C(CC3=O)S2(=O)=O)C([O-])=O)nn1
Show InChI InChI=1S/C13H15N3O7S/c1-13(5-16-4-6(14-15-16)12(20)23-2)10(11(18)19)9-7(17)3-8(9)24(13,21)22/h4,8-10H,3,5H2,1-2H3,(H,18,19)/p-1/t8?,9?,10-,13-/m0/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 49n/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