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Patent code US10800753

Compile Data Set for Download or QSAR
Found 7 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
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Gamma-amino-N-butyrate transaminase


(Homo sapiens (Human))
BDBM466532
PNG
(US10800753, Compound 17)
Show SMILES COC(=O)[C@@H]1C[C@H](N)CS1
Show InChI InChI=1S/C6H11NO2S/c1-9-6(8)5-2-4(7)3-10-5/h4-5H,2-3,7H2,1H3/t4-,5-/m0/s1
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US Patent
1.82E+5n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Inhibition constants were determined by monitoring GABA-AT activity in the presence of 0-50 mM concentrations of synthesized analogues using a couple...


US Patent US10800753 (2020)

More data for this
Ligand-Target Pair
Gamma-amino-N-butyrate transaminase


(Homo sapiens (Human))
BDBM323800
PNG
((2R,4S)-4-Aminotetrahydrothiophene-2-carboxylic ac...)
Show SMILES N[C@@H]1CS[C@H](C1)C(O)=O
Show InChI InChI=1S/C5H9NO2S/c6-3-1-4(5(7)8)9-2-3/h3-4H,1-2,6H2,(H,7,8)/t3-,4+/m0/s1
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US Patent
2.23E+6n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Inhibition constants were determined by monitoring GABA-AT activity in the presence of 0-50 mM concentrations of synthesized analogues using a couple...


US Patent US10800753 (2020)

More data for this
Ligand-Target Pair
Gamma-amino-N-butyrate transaminase


(Homo sapiens (Human))
BDBM50357219
PNG
(CHEMBL1361446 | US10800753, Compound (S)-vigabatri...)
Show SMILES N[C@H](CCC(O)=O)C=C
Show InChI InChI=1S/C6H11NO2/c1-2-5(7)3-4-6(8)9/h2,5H,1,3-4,7H2,(H,8,9)/t5-/m0/s1
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Similars

US Patent
3.20E+6n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Inhibition constants were determined by monitoring GABA-AT activity in the presence of 0-50 mM concentrations of synthesized analogues using a couple...


US Patent US10800753 (2020)

More data for this
Ligand-Target Pair
Gamma-amino-N-butyrate transaminase


(Homo sapiens (Human))
BDBM466536
PNG
(US10800753, Compound 19)
Show SMILES N[C@H]1CC(C(O)=O)S(=O)(=O)C1
Show InChI InChI=1S/C5H9NO4S/c6-3-1-4(5(7)8)11(9,10)2-3/h3-4H,1-2,6H2,(H,7,8)/t3-,4?/m0/s1
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US Patent
3.20E+6n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Inhibition constants were determined by monitoring GABA-AT activity in the presence of 0-50 mM concentrations of synthesized analogues using a couple...


US Patent US10800753 (2020)

More data for this
Ligand-Target Pair
Gamma-amino-N-butyrate transaminase


(Homo sapiens (Human))
BDBM466538
PNG
(US10800753, Compound 21)
Show SMILES N[C@H]1CS[C@@H](C1)C(O)=O
Show InChI InChI=1S/C5H9NO2S/c6-3-1-4(5(7)8)9-2-3/h3-4H,1-2,6H2,(H,7,8)/t3-,4+/m1/s1
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US Patent
3.30E+6n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Inhibition constants were determined by monitoring GABA-AT activity in the presence of 0-50 mM concentrations of synthesized analogues using a couple...


US Patent US10800753 (2020)

More data for this
Ligand-Target Pair
Gamma-amino-N-butyrate transaminase


(Homo sapiens (Human))
BDBM466537
PNG
(US10800753, Compound 20)
Show SMILES N[C@H]1CS[C@H](C1)C(O)=O
Show InChI InChI=1S/C5H9NO2S/c6-3-1-4(5(7)8)9-2-3/h3-4H,1-2,6H2,(H,7,8)/t3-,4-/m1/s1
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US Patent
3.40E+6n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Inhibition constants were determined by monitoring GABA-AT activity in the presence of 0-50 mM concentrations of synthesized analogues using a couple...


US Patent US10800753 (2020)

More data for this
Ligand-Target Pair
Gamma-amino-N-butyrate transaminase


(Homo sapiens (Human))
BDBM466539
PNG
(US10800753, Compound 22)
Show SMILES N[C@@H]1CC(C(O)=O)S(=O)(=O)C1
Show InChI InChI=1S/C5H9NO4S/c6-3-1-4(5(7)8)11(9,10)2-3/h3-4H,1-2,6H2,(H,7,8)/t3-,4?/m1/s1
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US Patent
7.50E+6n/an/an/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
Inhibition constants were determined by monitoring GABA-AT activity in the presence of 0-50 mM concentrations of synthesized analogues using a couple...


US Patent US10800753 (2020)

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