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Patent code US10227314

Compile Data Set for Download or QSAR
Found 13 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
Cystathionine gamma-lyase


(Homo sapiens (Human))
BDBM367672
PNG
(US10227314, Compound (S)-2-aminopent-4-ynoic acid)
Show SMILES N[C@@H](CC#C)C(O)=O
Show InChI InChI=1S/C5H7NO2/c1-2-3-4(6)5(7)8/h1,4H,3,6H2,(H,7,8)/t4-/m0/s1
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n/an/a<2.50E+4n/an/an/an/an/an/a



SOVA PHARMACEUTICALS, INC.

US Patent


Assay Description
Test compounds (from DMSO stock solutions) were added to (final concentrations) 20 ug/ml enzyme solution (human, mouse or rat recombinant CSE) plus 5...


US Patent US10227314 (2019)

More data for this
Ligand-Target Pair
Cystathionine gamma-lyase


(Homo sapiens (Human))
BDBM367671
PNG
(US10227314, Compound 2-aminopent-4-ynoic acid)
Show SMILES NC(CC#C)C(O)=O
Show InChI InChI=1/C5H7NO2/c1-2-3-4(6)5(7)8/h1,4H,3,6H2,(H,7,8)
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n/an/a<2.50E+4n/an/an/an/an/an/a



SOVA PHARMACEUTICALS, INC.

US Patent


Assay Description
Test compounds (from DMSO stock solutions) were added to (final concentrations) 20 ug/ml enzyme solution (human, mouse or rat recombinant CSE) plus 5...


US Patent US10227314 (2019)

More data for this
Ligand-Target Pair
Cystathionine gamma-lyase


(Homo sapiens (Human))
BDBM367664
PNG
(Synthesis of (S)-3-(1-aminobut-3-ynyl)-1,2,4-oxadi...)
Show SMILES N[C@@H](CC#C)c1noc(=O)[nH]1
Show InChI InChI=1/C6H7N3O2/c1-2-3-4(7)5-8-6(10)11-9-5/h1,4H,3,7H2,(H,8,9,10)/t4-/s2
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n/an/a<2.50E+4n/an/an/an/an/an/a



SOVA PHARMACEUTICALS, INC.

US Patent


Assay Description
Test compounds (from DMSO stock solutions) were added to (final concentrations) 20 ug/ml enzyme solution (human, mouse or rat recombinant CSE) plus 5...


US Patent US10227314 (2019)

More data for this
Ligand-Target Pair
Cystathionine gamma-lyase


(Homo sapiens (Human))
BDBM367663
PNG
(Synthesis of (S)-1-(1H-tetrazol-5-yl-but-3-ynylami...)
Show SMILES N[C@@H](CC#C)[N]1=NN=NC1
Show InChI InChI=1/C5H8N5/c1-2-3-5(6)10-4-7-8-9-10/h1,5H,3-4,6H2/t5-/s2
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n/an/a<2.50E+4n/an/an/an/an/an/a



SOVA PHARMACEUTICALS, INC.

US Patent


Assay Description
Test compounds (from DMSO stock solutions) were added to (final concentrations) 20 ug/ml enzyme solution (human, mouse or rat recombinant CSE) plus 5...


US Patent US10227314 (2019)

More data for this
Ligand-Target Pair
Cystathionine gamma-lyase


(Homo sapiens (Human))
BDBM367665
PNG
(Synthesis of (S)-1-(1H-1,2,4-triazol-5-yl)but-3-yn...)
Show SMILES N[C@@H](CC#C)c1ncn[nH]1
Show InChI InChI=1/C6H8N4/c1-2-3-5(7)6-8-4-9-10-6/h1,4-5H,3,7H2,(H,8,9,10)/t5-/s2
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n/an/a<2.50E+4n/an/an/an/an/an/a



SOVA PHARMACEUTICALS, INC.

US Patent


Assay Description
Test compounds (from DMSO stock solutions) were added to (final concentrations) 20 ug/ml enzyme solution (human, mouse or rat recombinant CSE) plus 5...


US Patent US10227314 (2019)

More data for this
Ligand-Target Pair
Cystathionine gamma-lyase


(Homo sapiens (Human))
BDBM367674
PNG
(US10227314, Compound 2-amino-3-cyanopropanoic acid)
Show SMILES NC(CC#N)C(O)=O
Show InChI InChI=1/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)
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n/an/a<2.50E+4n/an/an/an/an/an/a



SOVA PHARMACEUTICALS, INC.

US Patent


Assay Description
Test compounds (from DMSO stock solutions) were added to (final concentrations) 20 ug/ml enzyme solution (human, mouse or rat recombinant CSE) plus 5...


US Patent US10227314 (2019)

More data for this
Ligand-Target Pair
Cystathionine gamma-lyase


(Homo sapiens (Human))
BDBM367673
PNG
(US10227314, Compound (R)-2-aminopent-4-ynoic acid)
Show SMILES N[C@H](CC#C)C(O)=O
Show InChI InChI=1S/C5H7NO2/c1-2-3-4(6)5(7)8/h1,4H,3,6H2,(H,7,8)/t4-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



SOVA PHARMACEUTICALS, INC.

US Patent


Assay Description
Test compounds (from DMSO stock solutions) were added to (final concentrations) 20 ug/ml enzyme solution (human, mouse or rat recombinant CSE) plus 5...


US Patent US10227314 (2019)

More data for this
Ligand-Target Pair
Cystathionine gamma-lyase


(Homo sapiens (Human))
BDBM367666
PNG
(Synthesis of (S)-1-(3-(trifluoromethyl)-1H-1,2,4-t...)
Show SMILES N[C@@H](CC#C)c1nc(n[nH]1)C(F)(F)F
Show InChI InChI=1/C7H7F3N4/c1-2-3-4(11)5-12-6(14-13-5)7(8,9)10/h1,4H,3,11H2,(H,12,13,14)/t4-/s2
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n/an/a>1.00E+5n/an/an/an/an/an/a



SOVA PHARMACEUTICALS, INC.

US Patent


Assay Description
Test compounds (from DMSO stock solutions) were added to (final concentrations) 20 ug/ml enzyme solution (human, mouse or rat recombinant CSE) plus 5...


US Patent US10227314 (2019)

More data for this
Ligand-Target Pair
Cystathionine gamma-lyase


(Homo sapiens (Human))
BDBM367667
PNG
(Synthesis of (S)-5-(1-aminobut-3-ynyl)-1H-1,2,4-tr...)
Show SMILES N[C@@H](CC#C)c1nc(N)n[nH]1
Show InChI InChI=1/C6H9N5/c1-2-3-4(7)5-9-6(8)11-10-5/h1,4H,3,7H2,(H3,8,9,10,11)/t4-/s2
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n/an/a>1.00E+5n/an/an/an/an/an/a



SOVA PHARMACEUTICALS, INC.

US Patent


Assay Description
Test compounds (from DMSO stock solutions) were added to (final concentrations) 20 ug/ml enzyme solution (human, mouse or rat recombinant CSE) plus 5...


US Patent US10227314 (2019)

More data for this
Ligand-Target Pair
Cystathionine gamma-lyase


(Homo sapiens (Human))
BDBM367662
PNG
(Synthesis of 3-amino-3-(1H-tetrazol-5-yl)propionit...)
Show SMILES NC(CC#N)[N]1=NN=NC1
Show InChI InChI=1/C4H7N6/c5-2-1-4(6)10-3-7-8-9-10/h4H,1,3,6H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



SOVA PHARMACEUTICALS, INC.

US Patent


Assay Description
Test compounds (from DMSO stock solutions) were added to (final concentrations) 20 ug/ml enzyme solution (human, mouse or rat recombinant CSE) plus 5...


US Patent US10227314 (2019)

More data for this
Ligand-Target Pair
Cystathionine gamma-lyase


(Homo sapiens (Human))
BDBM367669
PNG
(Synthesis of (S)-2-amino-N-(phenylsulfonyl)pent-4-...)
Show SMILES N[C@@H](CC#C)C(=O)NS(=O)(=O)c1ccccc1
Show InChI InChI=1/C11H12N2O3S/c1-2-6-10(12)11(14)13-17(15,16)9-7-4-3-5-8-9/h1,3-5,7-8,10H,6,12H2,(H,13,14)/t10-/s2
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n/an/a 1.25E+5n/an/an/an/an/an/a



SOVA PHARMACEUTICALS, INC.

US Patent


Assay Description
Test compounds (from DMSO stock solutions) were added to (final concentrations) 20 ug/ml enzyme solution (human, mouse or rat recombinant CSE) plus 5...


US Patent US10227314 (2019)

More data for this
Ligand-Target Pair
Cystathionine gamma-lyase


(Homo sapiens (Human))
BDBM367670
PNG
(Synthesis of (S)-2-amino-N-(methylsulfonyl)pent-4-...)
Show SMILES CS(=O)(=O)NC(=O)[C@@H](N)CC#C
Show InChI InChI=1/C6H10N2O3S/c1-3-4-5(7)6(9)8-12(2,10)11/h1,5H,4,7H2,2H3,(H,8,9)/t5-/s2
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n/an/a 1.25E+5n/an/an/an/an/an/a



SOVA PHARMACEUTICALS, INC.

US Patent


Assay Description
Test compounds (from DMSO stock solutions) were added to (final concentrations) 20 ug/ml enzyme solution (human, mouse or rat recombinant CSE) plus 5...


US Patent US10227314 (2019)

More data for this
Ligand-Target Pair
Cystathionine gamma-lyase


(Homo sapiens (Human))
BDBM367668
PNG
(Synthesis of (S)-2-amino-N-(2H-tetrazol-5-yl)pent-...)
Show SMILES N[C@@H](CC#C)C(=O)Nc1nn[nH]n1
Show InChI InChI=1/C6H8N6O/c1-2-3-4(7)5(13)8-6-9-11-12-10-6/h1,4H,3,7H2,(H2,8,9,10,11,12,13)/t4-/s2
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n/an/a 1.25E+5n/an/an/an/an/an/a



SOVA PHARMACEUTICALS, INC.

US Patent


Assay Description
Test compounds (from DMSO stock solutions) were added to (final concentrations) 20 ug/ml enzyme solution (human, mouse or rat recombinant CSE) plus 5...


US Patent US10227314 (2019)

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