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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-lactamase' and Ligand = 'BDBM50081050'   
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


(Escherichia coli)		BDBM50081050
PNG
((R)-3-Biphenyl-4-yl-2-[(R)-2-(2-naphthalen-1-yl-ac...)
Show SMILES C[C@@H](NC(=O)Cc1cccc2ccccc12)C(=O)S[C@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C30H27NO4S/c1-20(31-28(32)19-25-12-7-11-24-10-5-6-13-26(24)25)30(35)36-27(29(33)34)18-21-14-16-23(17-15-21)22-8-3-2-4-9-22/h2-17,20,27H,18-19H2,1H3,(H,31,32)(H,33,34)/t20-,27-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a>1.50E+6n/an/an/an/an/an/a



Merck Research Laboratorie

Curated by ChEMBL


Assay Description
Inhibitory activity against CCRA (B. fragilis) metallo-beta-lactamase

Bioorg Med Chem Lett 9: 2549-54 (1999)


BindingDB Entry DOI: 10.7270/Q2KW5F8Q
More data for this
Ligand-Target Pair