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Patent code US9035062

Compile Data Set for Download or QSAR
Found 3 hits of Enzyme Inhibition Constant Data   
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)		BDBM159600
PNG
(US8772490, Example 23 | US9035062, 23)
Show SMILES NC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O[Na] |r|
Show InChI InChI=1S/C7H11N3O6S.Na/c8-6(11)5-2-1-4-3-9(5)7(12)10(4)16-17(13,14)15;/h4-5H,1-3H2,(H2,8,11)(H,13,14,15);/q;+1/p-1/t4-,5+;/m1./s1
PDB
MMDB

KEGG

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MCE
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Similars
US Patent
n/an/a 650n/an/an/an/a7.0n/a



MEIJI SEIKA PHARMA CO., LTD.

US Patent


Assay Description
For the measurement of β-lactamase inhibitory activity, 100 μM (final concentration) nitrocefin (Oxoid) was used as a substrate, and 2.5% D...

US Patent US9035062 (2015)


BindingDB Entry DOI: 10.7270/Q2KP80XX
More data for this
Ligand-Target Pair
Beta-lactamase


(Escherichia coli)		BDBM50157692
PNG
(CHEMBL1439 | CL-307579 | Sodium; (2S,3S,5R)-3-meth...)
Show SMILES C[C@]1(Cn2ccnn2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(=O)O[Na] |r|
Show InChI InChI=1S/C10H12N4O5S.Na/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19;/h2-3,7-8H,4-5H2,1H3,(H,16,17);/q;+1/p-1/t7-,8+,10+;/m1./s1
PDB
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KEGG

UniProtKB/SwissProt

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CHEMBL
MCE
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UniChem

Patents

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US Patent
n/an/a 950n/an/an/an/a7.0n/a



MEIJI SEIKA PHARMA CO., LTD.

US Patent


Assay Description
For the measurement of β-lactamase inhibitory activity, 100 μM (final concentration) nitrocefin (Oxoid) was used as a substrate, and 2.5% D...

US Patent US9035062 (2015)


BindingDB Entry DOI: 10.7270/Q2KP80XX
More data for this
Ligand-Target Pair
Beta-lactamase


(Escherichia coli)		BDBM159601
PNG
(US8772490, Example 24 | US9035062, 24)
Show SMILES NC(=O)[C@H]1CC[C@H]2CN1C(=O)N2OS(=O)(=O)O[Na] |r|
Show InChI InChI=1S/C7H11N3O6S.Na/c8-6(11)5-2-1-4-3-9(5)7(12)10(4)16-17(13,14)15;/h4-5H,1-3H2,(H2,8,11)(H,13,14,15);/q;+1/p-1/t4-,5+;/m0./s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a>3.00E+4n/an/an/an/a7.0n/a



MEIJI SEIKA PHARMA CO., LTD.

US Patent


Assay Description
For the measurement of β-lactamase inhibitory activity, 100 μM (final concentration) nitrocefin (Oxoid) was used as a substrate, and 2.5% D...

US Patent US9035062 (2015)


BindingDB Entry DOI: 10.7270/Q2KP80XX
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%