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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-lactamase BRO-1' and Ligand = 'BDBM50212642'   
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 BRO-1


(Moraxella catarrhalis)		BDBM50212642
PNG
(CHEMBL70269)
Show SMILES [H][C@]12S[C@@](C)(CSc3nc4ccccc4o3)[C@@H](N1C(=O)[C@H]2Br)C(O)=O
Show InChI InChI=1S/C15H13BrN2O4S2/c1-15(6-23-14-17-7-4-2-3-5-8(7)22-14)10(13(20)21)18-11(19)9(16)12(18)24-15/h2-5,9-10,12H,6H2,1H3,(H,20,21)/t9-,10+,12-,15+/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
n/an/a 23.3n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against Branhamella catarrhalis 89001 Class-III BRO-1 type beta-lactamase enzyme

Citation and Details

BindingDB Entry DOI: 10.7270/Q2ZW1P2T
More data for this
Ligand-Target Pair