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Compile Data Set for Download or QSAR

Found 59 hits Enz. Inhib. hit(s) with Target = 'Cystathionine gamma-lyase' AND taxid = 9606   
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))
BDBM330311
PNG
(US9725426, 15)
Show SMILES CNCCCN(N)c1nnn[nH]1
Show InChI InChI=1S/C5H13N7/c1-7-3-2-4-12(6)5-8-10-11-9-5/h7H,2-4,6H2,1H3,(H,8,9,10,11)
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n/an/a<1.00E+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 US9725426 (2017)

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


(Homo sapiens (Human))
BDBM330339
PNG
(US9725426, (E)-5-(2-(furan-2-ylmethylene)hydraziny...)
Show SMILES N(\N=C\c1ccco1)c1nnn[nH]1
Show InChI InChI=1S/C6H6N6O/c1-2-5(13-3-1)4-7-8-6-9-11-12-10-6/h1-4H,(H2,8,9,10,11,12)/b7-4+
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n/an/a<1.00E+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 US9725426 (2017)

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


(Homo sapiens (Human))
BDBM330331
PNG
(US9725426, 2-hydrazinylacetic acid)
Show SMILES NNCC(O)=O
Show InChI InChI=1S/C2H6N2O2/c3-4-1-2(5)6/h4H,1,3H2,(H,5,6)
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n/an/a<1.00E+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 US9725426 (2017)

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


(Homo sapiens (Human))
BDBM330324
PNG
(US9725426, 28)
Show SMILES CN(N=C(C)C)c1nnn[nH]1
Show InChI InChI=1S/C5H10N6/c1-4(2)8-11(3)5-6-9-10-7-5/h1-3H3,(H,6,7,9,10)
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n/an/a<1.00E+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 US9725426 (2017)

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


(Homo sapiens (Human))
BDBM330322
PNG
(US9725426, 26)
Show SMILES CN(C)c1ccc(cc1)C(=O)C\C=N\Nc1nnn[nH]1
Show InChI InChI=1S/C12H15N7O/c1-19(2)10-5-3-9(4-6-10)11(20)7-8-13-14-12-15-17-18-16-12/h3-6,8H,7H2,1-2H3,(H2,14,15,16,17,18)/b13-8+
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n/an/a<1.00E+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 US9725426 (2017)

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


(Homo sapiens (Human))
BDBM330321
PNG
(US9725426, 25)
Show SMILES CC\C(C)=N\Nc1nnn[nH]1
Show InChI InChI=1S/C5H10N6/c1-3-4(2)6-7-5-8-10-11-9-5/h3H2,1-2H3,(H2,7,8,9,10,11)/b6-4+
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n/an/a<1.00E+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 US9725426 (2017)

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


(Homo sapiens (Human))
BDBM330320
PNG
(US9725426, 24)
Show SMILES C1CCC(C1)=NNc1nnn[nH]1
Show InChI InChI=1S/C6H10N6/c1-2-4-5(3-1)7-8-6-9-11-12-10-6/h1-4H2,(H2,8,9,10,11,12)
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n/an/a<1.00E+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 US9725426 (2017)

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


(Homo sapiens (Human))
BDBM330319
PNG
(US9725426, 23)
Show SMILES C1CCC(CC1)=NNc1nnn[nH]1
Show InChI InChI=1S/C7H12N6/c1-2-4-6(5-3-1)8-9-7-10-12-13-11-7/h1-5H2,(H2,9,10,11,12,13)
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n/an/a<1.00E+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 US9725426 (2017)

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


(Homo sapiens (Human))
BDBM330318
PNG
(US9725426, 22)
Show SMILES CN(C)c1ccc(cc1)C(\C)=N\Nc1nnn[nH]1
Show InChI InChI=1S/C11H15N7/c1-8(12-13-11-14-16-17-15-11)9-4-6-10(7-5-9)18(2)3/h4-7H,1-3H3,(H2,13,14,15,16,17)/b12-8+
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n/an/a<1.00E+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 US9725426 (2017)

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


(Homo sapiens (Human))
BDBM330317
PNG
(US9725426, 21)
Show SMILES CC(C)=NNc1nnn[nH]1
Show InChI InChI=1S/C4H8N6/c1-3(2)5-6-4-7-9-10-8-4/h1-2H3,(H2,6,7,8,9,10)
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n/an/a<1.00E+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 US9725426 (2017)

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


(Homo sapiens (Human))
BDBM330316
PNG
(US9725426, 20)
Show SMILES Clc1ccc(\C=N\Nc2nnn[nH]2)cc1
Show InChI InChI=1S/C8H7ClN6/c9-7-3-1-6(2-4-7)5-10-11-8-12-14-15-13-8/h1-5H,(H2,11,12,13,14,15)/b10-5+
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n/an/a<1.00E+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 US9725426 (2017)

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


(Homo sapiens (Human))
BDBM330309
PNG
(US9725426, 13)
Show SMILES NCCN(N)c1nnn[nH]1
Show InChI InChI=1S/C3H9N7/c4-1-2-10(5)3-6-8-9-7-3/h1-2,4-5H2,(H,6,7,8,9)
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n/an/a<1.00E+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 US9725426 (2017)

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


(Homo sapiens (Human))
BDBM330308
PNG
(US9725426, 12)
Show SMILES NCCCN(N)c1nnn[nH]1
Show InChI InChI=1S/C4H11N7/c5-2-1-3-11(6)4-7-9-10-8-4/h1-3,5-6H2,(H,7,8,9,10)
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n/an/a<1.00E+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 US9725426 (2017)

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


(Homo sapiens (Human))
BDBM330307
PNG
(US9725426, 11)
Show SMILES CN(N)c1nnn[nH]1
Show InChI InChI=1S/C2H6N6/c1-8(3)2-4-6-7-5-2/h3H2,1H3,(H,4,5,6,7)
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n/an/a<1.00E+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 US9725426 (2017)

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


(Homo sapiens (Human))
BDBM330300
PNG
(US9725426, 4)
Show SMILES CCN(N)c1nnn[nH]1
Show InChI InChI=1S/C3H8N6/c1-2-9(4)3-5-7-8-6-3/h2,4H2,1H3,(H,5,6,7,8)
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n/an/a<1.00E+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 US9725426 (2017)

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


(Homo sapiens (Human))
BDBM330299
PNG
(US9725426, 3)
Show SMILES NN(CC#C)c1nnn[nH]1
Show InChI InChI=1S/C4H6N6/c1-2-3-10(5)4-6-8-9-7-4/h1H,3,5H2,(H,6,7,8,9)
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n/an/a<1.00E+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 US9725426 (2017)

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


(Homo sapiens (Human))
BDBM330297
PNG
(US9725426, 1)
Show SMILES CN(C)CCCN(N)c1nnn[nH]1
Show InChI InChI=1S/C6H15N7/c1-12(2)4-3-5-13(7)6-8-10-11-9-6/h3-5,7H2,1-2H3,(H,8,9,10,11)
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n/an/a 5.50E+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 US9725426 (2017)

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


(Homo sapiens (Human))
BDBM330323
PNG
(US9725426, 27)
Show SMILES CN(C)c1ccc(\C=N\N(C)c2nnn[nH]2)cc1
Show InChI InChI=1S/C11H15N7/c1-17(2)10-6-4-9(5-7-10)8-12-18(3)11-13-15-16-14-11/h4-8H,1-3H3,(H,13,14,15,16)/b12-8+
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n/an/a 5.50E+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 US9725426 (2017)

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


(Homo sapiens (Human))
BDBM330334
PNG
(US9725426, (E)-4-((2-(1H-tetrazol-5-yl)hydrazono)m...)
Show SMILES CCN(CC)c1ccc(\C=N\Nc2nnn[nH]2)cc1
Show InChI InChI=1S/C12H17N7/c1-3-19(4-2)11-7-5-10(6-8-11)9-13-14-12-15-17-18-16-12/h5-9H,3-4H2,1-2H3,(H2,14,15,16,17,18)/b13-9+
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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 US9725426 (2017)

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


(Homo sapiens (Human))
BDBM330333
PNG
(US9725426, 4-((2-(1H-tetrazol-5-yl)hydrazinyl)meth...)
Show SMILES CN(C)c1ccc(CNNc2nnn[nH]2)cc1
Show InChI InChI=1S/C10H15N7/c1-17(2)9-5-3-8(4-6-9)7-11-12-10-13-15-16-14-10/h3-6,11H,7H2,1-2H3,(H2,12,13,14,15,16)
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n/an/a 5.50E+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 US9725426 (2017)

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


(Homo sapiens (Human))
BDBM330332
PNG
(US9725426, 2-(2-(propan-2-ylidene)hydrazinyl)aceti...)
Show SMILES CC(C)=NNCC(O)=O
Show InChI InChI=1S/C5H10N2O2/c1-4(2)7-6-3-5(8)9/h6H,3H2,1-2H3,(H,8,9)
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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 US9725426 (2017)

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


(Homo sapiens (Human))
BDBM330337
PNG
(US9725426, (E)-4-((2-(1H-tetrazol-5-yl)hydrazono)m...)
Show SMILES Oc1ccc(\C=N\Nc2nnn[nH]2)cc1
Show InChI InChI=1S/C8H8N6O/c15-7-3-1-6(2-4-7)5-9-10-8-11-13-14-12-8/h1-5,15H,(H2,10,11,12,13,14)/b9-5+
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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 US9725426 (2017)

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


(Homo sapiens (Human))
BDBM330314
PNG
(US9725426, 18)
Show SMILES CN(C)c1ccc(\C=N\Nc2nnn[nH]2)cc1
Show InChI InChI=1S/C10H13N7/c1-17(2)9-5-3-8(4-6-9)7-11-12-10-13-15-16-14-10/h3-7H,1-2H3,(H2,12,13,14,15,16)/b11-7+
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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 US9725426 (2017)

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


(Homo sapiens (Human))
BDBM330313
PNG
(US9725426, 17)
Show SMILES N(\N=C\c1ccccc1)c1nnn[nH]1
Show InChI InChI=1S/C8H8N6/c1-2-4-7(5-3-1)6-9-10-8-11-13-14-12-8/h1-6H,(H2,10,11,12,13,14)/b9-6+
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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 US9725426 (2017)

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


(Homo sapiens (Human))
BDBM330312
PNG
(US9725426, 16)
Show SMILES NN(CCCc1nnn[nH]1)c1nnn[nH]1
Show InChI InChI=1S/C5H10N10/c6-15(5-9-13-14-10-5)3-1-2-4-7-11-12-8-4/h1-3,6H2,(H,7,8,11,12)(H,9,10,13,14)
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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 US9725426 (2017)

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


(Homo sapiens (Human))
BDBM330340
PNG
(US9725426, 5-hydrazinyl-1H-tetrazole)
Show SMILES NNc1nnn[nH]1
Show InChI InChI=1S/CH4N6/c2-3-1-4-6-7-5-1/h2H2,(H2,3,4,5,6,7)
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n/an/a 5.50E+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 US9725426 (2017)

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


(Homo sapiens (Human))
BDBM330310
PNG
(US9725426, 14)
Show SMILES CNCCN(N)c1nnn[nH]1
Show InChI InChI=1S/C4H11N7/c1-6-2-3-11(5)4-7-9-10-8-4/h6H,2-3,5H2,1H3,(H,7,8,9,10)
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n/an/a 5.50E+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 US9725426 (2017)

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


(Homo sapiens (Human))
BDBM330327
PNG
(US9725426, 32)
Show SMILES CN(N)c1noc(=O)[nH]1
Show InChI InChI=1S/C3H6N4O2/c1-7(4)2-5-3(8)9-6-2/h4H2,1H3,(H,5,6,8)
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n/an/a 5.50E+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 US9725426 (2017)

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


(Homo sapiens (Human))
BDBM330303
PNG
(US9725426, 7)
Show SMILES CCCN(N)c1nnn[nH]1
Show InChI InChI=1S/C4H10N6/c1-2-3-10(5)4-6-8-9-7-4/h2-3,5H2,1H3,(H,6,7,8,9)
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n/an/a 5.50E+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 US9725426 (2017)

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


(Homo sapiens (Human))
BDBM330302
PNG
(US9725426, 6)
Show SMILES COCCN(N)c1nnn[nH]1
Show InChI InChI=1S/C4H10N6O/c1-11-3-2-10(5)4-6-8-9-7-4/h2-3,5H2,1H3,(H,6,7,8,9)
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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 US9725426 (2017)

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


(Homo sapiens (Human))
BDBM330326
PNG
(US9725426, 31)
Show SMILES CCN(N)c1ncn[nH]1
Show InChI InChI=1S/C4H9N5/c1-2-9(5)4-6-3-7-8-4/h3H,2,5H2,1H3,(H,6,7,8)
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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 US9725426 (2017)

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


(Homo sapiens (Human))
BDBM330301
PNG
(US9725426, 5)
Show SMILES COCCCN(N)c1nnn[nH]1
Show InChI InChI=1S/C5H12N6O/c1-12-4-2-3-11(6)5-7-9-10-8-5/h2-4,6H2,1H3,(H,7,8,9,10)
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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 US9725426 (2017)

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


(Homo sapiens (Human))
BDBM330336
PNG
(US9725426, (E)-5-(2-(benzo[d][1,3]dioxol-5-ylmethy...)
Show SMILES C1Oc2ccc(\C=N\Nc3nnn[nH]3)cc2O1
Show InChI InChI=1S/C9H8N6O2/c1-2-7-8(17-5-16-7)3-6(1)4-10-11-9-12-14-15-13-9/h1-4H,5H2,(H2,11,12,13,14,15)/b10-4+
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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 US9725426 (2017)

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


(Homo sapiens (Human))
BDBM330315
PNG
(US9725426, 19)
Show SMILES Clc1ccc(\C=N\Nc2nnn[nH]2)c(Cl)c1
Show InChI InChI=1S/C8H6Cl2N6/c9-6-2-1-5(7(10)3-6)4-11-12-8-13-15-16-14-8/h1-4H,(H2,12,13,14,15,16)/b11-4+
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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 US9725426 (2017)

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


(Homo sapiens (Human))
BDBM330304
PNG
(US9725426, 8)
Show SMILES NN(Cc1ccccc1)c1nnn[nH]1
Show InChI InChI=1S/C8H10N6/c9-14(8-10-12-13-11-8)6-7-4-2-1-3-5-7/h1-5H,6,9H2,(H,10,11,12,13)
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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 US9725426 (2017)

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


(Homo sapiens (Human))
BDBM330305
PNG
(US9725426, 9)
Show SMILES CC(C)N(N)c1nnn[nH]1
Show InChI InChI=1S/C4H10N6/c1-3(2)10(5)4-6-8-9-7-4/h3H,5H2,1-2H3,(H,6,7,8,9)
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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 US9725426 (2017)

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


(Homo sapiens (Human))
BDBM330298
PNG
(US9725426, 2)
Show SMILES CN(C)CCN(N)c1nnn[nH]1
Show InChI InChI=1S/C5H13N7/c1-11(2)3-4-12(6)5-7-9-10-8-5/h3-4,6H2,1-2H3,(H,7,8,9,10)
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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 US9725426 (2017)

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


(Homo sapiens (Human))
BDBM330338
PNG
(US9725426, (E)-5-(2-(4-nitrobenzylidene)hydrazinyl...)
Show SMILES [O-][N+](=O)c1ccc(\C=N\Nc2nnn[nH]2)cc1
Show InChI InChI=1S/C8H7N7O2/c16-15(17)7-3-1-6(2-4-7)5-9-10-8-11-13-14-12-8/h1-5H,(H2,10,11,12,13,14)/b9-5+
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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 US9725426 (2017)

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


(Homo sapiens (Human))
BDBM330328
PNG
(US9725426, 33)
Show SMILES CCN(N)C(=O)c1nnn[nH]1
Show InChI InChI=1S/C4H8N6O/c1-2-10(5)4(11)3-6-8-9-7-3/h2,5H2,1H3,(H,6,7,8,9)
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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 US9725426 (2017)

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


(Homo sapiens (Human))
BDBM330329
PNG
(US9725426, 34)
Show SMILES CCN(N)C(=O)Nc1nnn[nH]1
Show InChI InChI=1S/C4H9N7O/c1-2-11(5)4(12)6-3-7-9-10-8-3/h2,5H2,1H3,(H2,6,7,8,9,10,12)
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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 US9725426 (2017)

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


(Homo sapiens (Human))
BDBM330335
PNG
(US9725426, (E)-1-((2-(1H-tetrazol-5-yl)hydrazono)m...)
Show SMILES Oc1ccc2ccccc2c1\C=N\Nc1nnn[nH]1
Show InChI InChI=1S/C12H10N6O/c19-11-6-5-8-3-1-2-4-9(8)10(11)7-13-14-12-15-17-18-16-12/h1-7,19H,(H2,14,15,16,17,18)/b13-7+
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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 US9725426 (2017)

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


(Homo sapiens (Human))
BDBM330325
PNG
(US9725426, 29)
Show SMILES CN(N)c1nnn(C)n1
Show InChI InChI=1S/C3H8N6/c1-8(4)3-5-7-9(2)6-3/h4H2,1-2H3
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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 US9725426 (2017)

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


(Homo sapiens (Human))
BDBM330330
PNG
(US9725426, 35)
Show SMILES CCN(N)C(=O)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C9H13N3O3S/c1-2-12(10)9(13)11-16(14,15)8-6-4-3-5-7-8/h3-7H,2,10H2,1H3,(H,11,13)
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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 US9725426 (2017)

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


(Homo sapiens (Human))
BDBM330306
PNG
(US9725426, 10)
Show SMILES CC(C)CN(N)c1nnn[nH]1
Show InChI InChI=1S/C5H12N6/c1-4(2)3-11(6)5-7-9-10-8-5/h4H,3,6H2,1-2H3,(H,7,8,9,10)
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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 US9725426 (2017)

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


(Homo sapiens (Human))
BDBM112640
PNG
((2R)-3′,4′-Dihydroxy-7-methoxyflavan (...)
Show SMILES COc1ccc2CC[C@@H](Oc2c1)c1ccc(O)c(O)c1
Show InChI InChI=1S/C16H16O4/c1-19-12-5-2-10-4-7-15(20-16(10)9-12)11-3-6-13(17)14(18)8-11/h2-3,5-6,8-9,15,17-18H,4,7H2,1H3/t15-/m1/s1
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n/an/a>2.00E+5n/an/an/an/a7.037



Shanghai Center for Systems Biomedicine, School of Pharmacy, and State Key Laboratory of Microbial Metabolism & School of Life Sciences and Biotechnology



Assay Description
500 nM hCSE in optimal buffer (50 mM Hepes, pH 7.0; final concentration) was incubated with compound for 45 min in the 192-tandem-well plate before a...


ACS Chem Biol 9: 897-903 (2014)


Article DOI: 10.1021/cb500009r
BindingDB Entry DOI: 10.7270/Q2S75F0F
More data for this
Ligand-Target Pair
Cystathionine gamma-lyase


(Homo sapiens (Human))
BDBM112639
PNG
(1-(2-hydroxy-4-meth-oxyphenyl)-3-(4-hydroxy-3-meth...)
Show SMILES COc1ccc(CCCc2ccc(O)c(OC)c2)c(O)c1
Show InChI InChI=1S/C17H20O4/c1-20-14-8-7-13(16(19)11-14)5-3-4-12-6-9-15(18)17(10-12)21-2/h6-11,18-19H,3-5H2,1-2H3
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n/an/a>2.00E+5n/an/an/an/a7.037



Shanghai Center for Systems Biomedicine, School of Pharmacy, and State Key Laboratory of Microbial Metabolism & School of Life Sciences and Biotechnology



Assay Description
500 nM hCSE in optimal buffer (50 mM Hepes, pH 7.0; final concentration) was incubated with compound for 45 min in the 192-tandem-well plate before a...


ACS Chem Biol 9: 897-903 (2014)


Article DOI: 10.1021/cb500009r
BindingDB Entry DOI: 10.7270/Q2S75F0F
More data for this
Ligand-Target Pair
Cystathionine gamma-lyase


(Homo sapiens (Human))
BDBM112638
PNG
(Broussonin F (11))
Show SMILES COc1cc(CCCc2ccc(OC)c(O)c2OC)ccc1O
Show InChI InChI=1S/C18H22O5/c1-21-15-10-8-13(18(23-3)17(15)20)6-4-5-12-7-9-14(19)16(11-12)22-2/h7-11,19-20H,4-6H2,1-3H3
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n/an/a>2.00E+5n/an/an/an/a7.037



Shanghai Center for Systems Biomedicine, School of Pharmacy, and State Key Laboratory of Microbial Metabolism & School of Life Sciences and Biotechnology



Assay Description
500 nM hCSE in optimal buffer (50 mM Hepes, pH 7.0; final concentration) was incubated with compound for 45 min in the 192-tandem-well plate before a...


ACS Chem Biol 9: 897-903 (2014)


Article DOI: 10.1021/cb500009r
BindingDB Entry DOI: 10.7270/Q2S75F0F
More data for this
Ligand-Target Pair
Cystathionine gamma-lyase


(Homo sapiens (Human))
BDBM112637
PNG
(Griffithane B (10))
Show SMILES COc1cc(CCCc2ccc(O)cc2OC)ccc1O
Show InChI InChI=1S/C17H20O4/c1-20-16-11-14(18)8-7-13(16)5-3-4-12-6-9-15(19)17(10-12)21-2/h6-11,18-19H,3-5H2,1-2H3
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n/an/a>2.00E+5n/an/an/an/a7.037



Shanghai Center for Systems Biomedicine, School of Pharmacy, and State Key Laboratory of Microbial Metabolism & School of Life Sciences and Biotechnology



Assay Description
500 nM hCSE in optimal buffer (50 mM Hepes, pH 7.0; final concentration) was incubated with compound for 45 min in the 192-tandem-well plate before a...


ACS Chem Biol 9: 897-903 (2014)


Article DOI: 10.1021/cb500009r
BindingDB Entry DOI: 10.7270/Q2S75F0F
More data for this
Ligand-Target Pair
Cystathionine gamma-lyase


(Homo sapiens (Human))
BDBM112635
PNG
((−)-Euonyquinone C (8) | (+)-Euonyquinone C ...)
Show SMILES COc1cc(CC=C(c2cc(O)c(OC)cc2O)c2c(OC)cc3OC(CCc3c2O)c2ccc(O)c(O)c2)ccc1O
Show InChI InChI=1S/C33H32O10/c1-40-29-12-17(5-9-23(29)35)4-7-19(21-14-26(38)30(41-2)15-24(21)36)32-31(42-3)16-28-20(33(32)39)8-11-27(43-28)18-6-10-22(34)25(37)13-18/h5-7,9-10,12-16,27,34-39H,4,8,11H2,1-3H3
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Shanghai Center for Systems Biomedicine, School of Pharmacy, and State Key Laboratory of Microbial Metabolism & School of Life Sciences and Biotechnology



Assay Description
500 nM hCSE in optimal buffer (50 mM Hepes, pH 7.0; final concentration) was incubated with compound for 45 min in the 192-tandem-well plate before a...


ACS Chem Biol 9: 897-903 (2014)


Article DOI: 10.1021/cb500009r
BindingDB Entry DOI: 10.7270/Q2S75F0F
More data for this
Ligand-Target Pair
Cystathionine gamma-lyase


(Homo sapiens (Human))
BDBM112641
PNG
((2R)-3′,4′-Dihydroxy-5,7-methoxyflavan...)
Show SMILES COc1cc(OC)c2CC[C@@H](Oc2c1)c1ccc(O)c(O)c1
Show InChI InChI=1S/C17H18O5/c1-20-11-8-16(21-2)12-4-6-15(22-17(12)9-11)10-3-5-13(18)14(19)7-10/h3,5,7-9,15,18-19H,4,6H2,1-2H3/t15-/m1/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.00E+5n/an/an/an/a7.037



Shanghai Center for Systems Biomedicine, School of Pharmacy, and State Key Laboratory of Microbial Metabolism & School of Life Sciences and Biotechnology



Assay Description
500 nM hCSE in optimal buffer (50 mM Hepes, pH 7.0; final concentration) was incubated with compound for 45 min in the 192-tandem-well plate before a...


ACS Chem Biol 9: 897-903 (2014)


Article DOI: 10.1021/cb500009r
BindingDB Entry DOI: 10.7270/Q2S75F0F
More data for this
Ligand-Target Pair
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