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BDBM50447648 CHEMBL3112750

SMILES: Cn1ccc(cc1)=[NH+]C(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS([O-])(=O)=O

InChI Key: InChIKey=UPMIKKMJEYJTAE-MNOVXSKESA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50447648   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Beta-lactamase


(Acinetobacter baumannii)		BDBM50447648
PNG
(CHEMBL3112750)
Show SMILES Cn1ccc(cc1)=[NH+]C(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS([O-])(=O)=O |r,wD:13.14,10.10,(33.1,-24.04,;34.44,-24.81,;34.43,-26.35,;35.77,-27.12,;37.11,-26.35,;37.1,-24.8,;35.76,-24.04,;38.44,-27.12,;39.77,-26.35,;39.77,-24.81,;41.1,-27.13,;42.44,-26.37,;43.76,-27.16,;43.74,-28.7,;42.4,-29.45,;41.08,-28.66,;41.47,-30.15,;40.38,-31.23,;43.01,-30.15,;43.82,-31.46,;45.36,-31.41,;46.09,-30.06,;45.35,-32.95,;46.89,-31.41,)|
Show InChI InChI=1S/C13H16N4O6S/c1-15-6-4-9(5-7-15)14-12(18)11-3-2-10-8-16(11)13(19)17(10)23-24(20,21)22/h4-7,10-11H,2-3,8H2,1H3,(H,20,21,22)/t10-,11+/m1/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

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AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Research Labs

Curated by ChEMBL


Assay Description
Inhibition of beta-lactamase Oxa40 in Acinetobacter baumannii assessed as inhibition of hydrolysis of nitrocefin

Bioorg Med Chem Lett 24: 780-5 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.101
BindingDB Entry DOI: 10.7270/Q2HD7X41
More data for this
Ligand-Target Pair