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Patent code US9394254

Compile Data Set for Download or QSAR
Found 5 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
Fructose-1,6-bisphosphate aldolase (FBA)


(Mycobacterium tuberculosis (strain H37Rv))
BDBM237136
PNG
(US9394254, 5 (HCA))
Show SMILES OC(=O)c1ccc2cccc(O)c2n1
Show InChI InChI=1S/C10H7NO3/c12-8-3-1-2-6-4-5-7(10(13)14)11-9(6)8/h1-5,12H,(H,13,14)
UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
PDB
UniChem
US Patent
n/an/a 1.40E+4n/an/an/an/an/an/a



The University of Denver and Regis University

US Patent


Assay Description
Enzymatic activity is measured by contacting the enzyme with a suitable substrate, such as fructose 1,6-bisphosphate, and measuring formation of a pr...


Citation and Details
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphate aldolase (FBA)


(Mycobacterium tuberculosis (strain H37Rv))
BDBM237136
PNG
(US9394254, 5 (HCA))
Show SMILES OC(=O)c1ccc2cccc(O)c2n1
Show InChI InChI=1S/C10H7NO3/c12-8-3-1-2-6-4-5-7(10(13)14)11-9(6)8/h1-5,12H,(H,13,14)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
US Patent
n/an/a 1.70E+4 6.94E+3n/an/an/an/an/a



The University of Denver and Regis University

US Patent


Assay Description
Enzymatic activity is measured by contacting the enzyme with a suitable substrate, such as fructose 1,6-bisphosphate, and measuring formation of a pr...


Citation and Details
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphate aldolase (FBA)


(Mycobacterium tuberculosis (strain H37Rv))
BDBM32144
PNG
(8-quinolinamine | 8-quinolylamine | AS-232 | US939...)
Show SMILES Nc1cccc2cccnc12
Show InChI InChI=1S/C9H8N2/c10-8-5-1-3-7-4-2-6-11-9(7)8/h1-6H,10H2
UniProtKB/SwissProt

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PC sid
PDB
UniChem

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US Patent
n/an/a 7.90E+4n/an/an/an/an/an/a



The University of Denver and Regis University

US Patent


Assay Description
Enzymatic activity is measured by contacting the enzyme with a suitable substrate, such as fructose 1,6-bisphosphate, and measuring formation of a pr...


Citation and Details
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphate aldolase (FBA)


(Mycobacterium tuberculosis (strain H37Rv))
BDBM32203
PNG
(8-quinolinol | CHEMBL310555 | US9394254, 6 | cid_1...)
Show SMILES Oc1cccc2cccnc12
Show InChI InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H
UniProtKB/SwissProt

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CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

US Patent
n/an/a 3.00E+5n/an/an/an/an/an/a



The University of Denver and Regis University

US Patent


Assay Description
Enzymatic activity is measured by contacting the enzyme with a suitable substrate, such as fructose 1,6-bisphosphate, and measuring formation of a pr...


Citation and Details
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphate aldolase (FBA)


(Mycobacterium tuberculosis (strain H37Rv))
BDBM237137
PNG
(US9394254, 34)
Show SMILES CS(=O)(=O)Nc1ccc2cccc(O)c2n1
Show InChI InChI=1S/C10H10N2O3S/c1-16(14,15)12-9-6-5-7-3-2-4-8(13)10(7)11-9/h2-6,13H,1H3,(H,11,12)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5.70E+5n/an/an/an/an/an/a



The University of Denver and Regis University

US Patent


Assay Description
Enzymatic activity is measured by contacting the enzyme with a suitable substrate, such as fructose 1,6-bisphosphate, and measuring formation of a pr...


Citation and Details
More data for this
Ligand-Target Pair
Found 1 hit of Isothermal Titration Calorimetry Data.
Cell (A)Syringe (B)Cell
Links
Syringe
Links
Cell + Syr
Links
ΔG°
kJ/mole
-TΔS°
kJ/mole
ΔH°
kJ/mole
log KpHTemp
°C
Fructose-1,6-bisphosphate aldolase (FBA)

(Mycobacterium tuberculosis (strain H37Rv))
BDBM237136
JPEG
(US9394254, 5 (HCA))
GoogleScholar
PC cid
PC sid
PDB
n/an/a-28.7n/an/an/a



The University of Denver and Regis University

US Patent




US Patent US9394254 (2016)

* indicates data uncertainty>20%