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Patent code US9676777

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


(Pseudomonas aeruginosa (PAO1))
BDBM191563
PNG
(US9676777, example 23)
Show SMILES NC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2O
Show InChI InChI=1S/C7H11N3O3/c8-6(11)5-2-1-4-3-9(5)7(12)10(4)13/h4-5,13H,1-3H2,(H2,8,11)/t4?,5-/m0/s1
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PC cid
PC sid
UniChem
US Patent
n/an/a 650n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
beta-Lactamase


(Pseudomonas aeruginosa (PAO1))
BDBM50053173
PNG
((2S,3S,5R)-3-Methyl-4,4,7-trioxo-3-[1,2,3]triazol-...)
Show SMILES C[C@]1(Cn2ccnn2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O
Show InChI InChI=1S/C10H12N4O5S/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)/t7-,8+,10+/m1/s1
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KEGG
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PC sid
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UniChem

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Similars

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


Citation and Details
More data for this
Ligand-Target Pair
beta-Lactamase


(Pseudomonas aeruginosa (PAO1))
BDBM191564
PNG
(US9676777, example 24)
Show SMILES CC(C)(C)[C@@H]1CC[C@@H]2CN1C(=O)N2OCc1ccccc1
Show InChI InChI=1S/C17H24N2O2/c1-17(2,3)15-10-9-14-11-18(15)16(20)19(14)21-12-13-7-5-4-6-8-13/h4-8,14-15H,9-12H2,1-3H3/t14-,15+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>3.00E+4n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%