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Compile Data Set for Download or QSAR

Found 166 hits Enz. Inhib. hit(s) with Target = 'Cystathionine gamma-lyase'   
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
Cystathionine gamma-lyase


(Homo sapiens (Human))
BDBM60996
PNG
(5-[(3-carboxy-4-hydroxy-phenyl)-(3-carboxy-4-keto-...)
Show SMILES OC(=O)C1=CC(C=CC1=O)=C(c1ccc(O)c(c1)C(O)=O)c1ccc(O)c(c1)C(O)=O
Show InChI InChI=1S/C22H14O9/c23-16-4-1-10(7-13(16)20(26)27)19(11-2-5-17(24)14(8-11)21(28)29)12-3-6-18(25)15(9-12)22(30)31/h1-9,23-24H,(H,26,27)(H,28,29)(H,30,31)
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600n/an/an/an/an/an/an/an/a



Shanghai Jiao Tong University

Curated by ChEMBL


Assay Description
Competitive inhibition of human CSE using varying levels of L-Cys as substrate and fixed PLP levels


J Med Chem 62: 1677-1683 (2019)

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


(Homo sapiens (Human))
BDBM50548267
PNG
(CHEMBL4761159)
Show SMILES COc1cccc2C(=O)C3=C([C@H](C)O[C@@H](CC(O)=O)C3)C(=O)c12
Show InChI InChI=1S/C17H16O6/c1-8-14-11(6-9(23-8)7-13(18)19)16(20)10-4-3-5-12(22-2)15(10)17(14)21/h3-5,8-9H,6-7H2,1-2H3,(H,18,19)/t8-,9+/m0/s1
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4.90E+3n/an/an/an/an/an/an/an/a



Shanghai Jiao Tong University

Curated by ChEMBL


Assay Description
Competitive inhibition of human CSE using varying levels of L-Cys as substrate and fixed PLP levels


J Med Chem 62: 1677-1683 (2019)

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


(Homo sapiens (Human))
BDBM60996
PNG
(5-[(3-carboxy-4-hydroxy-phenyl)-(3-carboxy-4-keto-...)
Show SMILES OC(=O)C1=CC(C=CC1=O)=C(c1ccc(O)c(c1)C(O)=O)c1ccc(O)c(c1)C(O)=O
Show InChI InChI=1S/C22H14O9/c23-16-4-1-10(7-13(16)20(26)27)19(11-2-5-17(24)14(8-11)21(28)29)12-3-6-18(25)15(9-12)22(30)31/h1-9,23-24H,(H,26,27)(H,28,29)(H,30,31)
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n/an/a 600n/an/an/an/an/an/a



Shanghai Jiao Tong University

Curated by ChEMBL


Assay Description
Inhibition of human CSE using L-Cys as the substrate by tandem well based HTS assay


J Med Chem 62: 1677-1683 (2019)

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


(Homo sapiens (Human))
BDBM50280040
PNG
(CHEMBL1619821)
Show SMILES NCCO\C=C\[C@H](N)C(O)=O
Show InChI InChI=1S/C6H12N2O3/c7-2-4-11-3-1-5(8)6(9)10/h1,3,5H,2,4,7-8H2,(H,9,10)/b3-1+/t5-/m0/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of cystathionine gamma-lyase (unknown origin)


ACS Med Chem Lett 8: 1241-1245 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00313
BindingDB Entry DOI: 10.7270/Q2N300GT
More data for this
Ligand-Target Pair
Cystathionine gamma-lyase


(Homo sapiens (Human))
BDBM50280013
PNG
(CHEMBL4163832)
Show SMILES COc1ccc(NC(=O)CSC(=S)N\N=C\c2ncccc2F)cc1
Show InChI InChI=1S/C16H15FN4O2S2/c1-23-12-6-4-11(5-7-12)20-15(22)10-25-16(24)21-19-9-14-13(17)3-2-8-18-14/h2-9H,10H2,1H3,(H,20,22)(H,21,24)/b19-9+
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n/an/a 1.20E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of cystathionine gamma-lyase (unknown origin) assessed as reduction in cysteine formation from CPM using L-cystathionine pre-incubated for...


ACS Med Chem Lett 8: 1241-1245 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00313
BindingDB Entry DOI: 10.7270/Q2N300GT
More data for this
Ligand-Target Pair
Cystathionine gamma-lyase


(Homo sapiens (Human))
BDBM60996
PNG
(5-[(3-carboxy-4-hydroxy-phenyl)-(3-carboxy-4-keto-...)
Show SMILES OC(=O)C1=CC(C=CC1=O)=C(c1ccc(O)c(c1)C(O)=O)c1ccc(O)c(c1)C(O)=O
Show InChI InChI=1S/C22H14O9/c23-16-4-1-10(7-13(16)20(26)27)19(11-2-5-17(24)14(8-11)21(28)29)12-3-6-18(25)15(9-12)22(30)31/h1-9,23-24H,(H,26,27)(H,28,29)(H,30,31)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Shanghai Jiao Tong University

Curated by ChEMBL


Assay Description
Inhibition of human CSE using H-Cys as the substrate by tandem well based HTS assay


J Med Chem 62: 1677-1683 (2019)

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


(Homo sapiens (Human))
BDBM60996
PNG
(5-[(3-carboxy-4-hydroxy-phenyl)-(3-carboxy-4-keto-...)
Show SMILES OC(=O)C1=CC(C=CC1=O)=C(c1ccc(O)c(c1)C(O)=O)c1ccc(O)c(c1)C(O)=O
Show InChI InChI=1S/C22H14O9/c23-16-4-1-10(7-13(16)20(26)27)19(11-2-5-17(24)14(8-11)21(28)29)12-3-6-18(25)15(9-12)22(30)31/h1-9,23-24H,(H,26,27)(H,28,29)(H,30,31)
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n/an/a 1.80E+3n/an/an/an/an/an/a



Shanghai Jiao Tong University

Curated by ChEMBL


Assay Description
Inhibition of human CSE using L-Cys as the substrate in presence of 0.01% Triton X-100 by tandem well based HTS assay


J Med Chem 62: 1677-1683 (2019)

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


(Homo sapiens (Human))
BDBM60996
PNG
(5-[(3-carboxy-4-hydroxy-phenyl)-(3-carboxy-4-keto-...)
Show SMILES OC(=O)C1=CC(C=CC1=O)=C(c1ccc(O)c(c1)C(O)=O)c1ccc(O)c(c1)C(O)=O
Show InChI InChI=1S/C22H14O9/c23-16-4-1-10(7-13(16)20(26)27)19(11-2-5-17(24)14(8-11)21(28)29)12-3-6-18(25)15(9-12)22(30)31/h1-9,23-24H,(H,26,27)(H,28,29)(H,30,31)
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n/an/a 1.80E+3n/an/an/an/an/an/a



Shanghai Jiao Tong University

Curated by ChEMBL


Assay Description
Inhibition of human CSE using L-Cys as the substrate in presence of 0.025% Triton X-100 by tandem well based HTS assay


J Med Chem 62: 1677-1683 (2019)

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


(Homo sapiens (Human))
BDBM50280015
PNG
(CHEMBL4159854)
Show SMILES COc1ccc(NC(=O)CSC(=S)N\N=C\c2cccc(C)n2)cc1
Show InChI InChI=1S/C17H18N4O2S2/c1-12-4-3-5-14(19-12)10-18-21-17(24)25-11-16(22)20-13-6-8-15(23-2)9-7-13/h3-10H,11H2,1-2H3,(H,20,22)(H,21,24)/b18-10+
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n/an/a 1.90E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of cystathionine gamma-lyase (unknown origin) assessed as reduction in cysteine formation from CPM using L-cystathionine pre-incubated for...


ACS Med Chem Lett 8: 1241-1245 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00313
BindingDB Entry DOI: 10.7270/Q2N300GT
More data for this
Ligand-Target Pair
Cystathionine gamma-lyase


(Homo sapiens (Human))
BDBM50280014
PNG
(CHEMBL4160453)
Show SMILES Cc1ccc(NC(=O)CSC(=S)N\N=C\c2ncccc2F)cc1
Show InChI InChI=1S/C16H15FN4OS2/c1-11-4-6-12(7-5-11)20-15(22)10-24-16(23)21-19-9-14-13(17)3-2-8-18-14/h2-9H,10H2,1H3,(H,20,22)(H,21,23)/b19-9+
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n/an/a 2.00E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of cystathionine gamma-lyase (unknown origin) assessed as reduction in cysteine formation from CPM using L-cystathionine pre-incubated for...


ACS Med Chem Lett 8: 1241-1245 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00313
BindingDB Entry DOI: 10.7270/Q2N300GT
More data for this
Ligand-Target Pair
Cystathionine gamma-lyase


(Homo sapiens (Human))
BDBM50280022
PNG
(CHEMBL4171052)
Show SMILES CC(C)(C)c1ccc(NC(=O)CSC(=S)N\N=C\c2ncccc2F)cc1
Show InChI InChI=1S/C19H21FN4OS2/c1-19(2,3)13-6-8-14(9-7-13)23-17(25)12-27-18(26)24-22-11-16-15(20)5-4-10-21-16/h4-11H,12H2,1-3H3,(H,23,25)(H,24,26)/b22-11+
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n/an/a 2.00E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of cystathionine gamma-lyase (unknown origin) assessed as reduction in cysteine formation from CPM using L-cystathionine pre-incubated for...


ACS Med Chem Lett 8: 1241-1245 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00313
BindingDB Entry DOI: 10.7270/Q2N300GT
More data for this
Ligand-Target Pair
Cystathionine gamma-lyase


(Homo sapiens (Human))
BDBM50279931
PNG
(CHEMBL4166278)
Show SMILES COc1ccc(NC(=O)CSC(=S)N\N=C\c2ccccn2)cc1
Show InChI InChI=1S/C16H16N4O2S2/c1-22-14-7-5-12(6-8-14)19-15(21)11-24-16(23)20-18-10-13-4-2-3-9-17-13/h2-10H,11H2,1H3,(H,19,21)(H,20,23)/b18-10+
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n/an/a 2.00E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of cystathionine gamma-lyase (unknown origin) assessed as reduction in cysteine formation from CPM using L-cystathionine pre-incubated for...


ACS Med Chem Lett 8: 1241-1245 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00313
BindingDB Entry DOI: 10.7270/Q2N300GT
More data for this
Ligand-Target Pair
Cystathionine gamma-lyase


(Homo sapiens (Human))
BDBM50280026
PNG
(CHEMBL4162824)
Show SMILES Cc1ccc(NC(=O)CSC(=S)N\N=C\c2ccccn2)cc1
Show InChI InChI=1S/C16H16N4OS2/c1-12-5-7-13(8-6-12)19-15(21)11-23-16(22)20-18-10-14-4-2-3-9-17-14/h2-10H,11H2,1H3,(H,19,21)(H,20,22)/b18-10+
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n/an/a 2.00E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of cystathionine gamma-lyase (unknown origin) assessed as reduction in cysteine formation from CPM using L-cystathionine pre-incubated for...


ACS Med Chem Lett 8: 1241-1245 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00313
BindingDB Entry DOI: 10.7270/Q2N300GT
More data for this
Ligand-Target Pair
Cystathionine gamma-lyase


(Homo sapiens (Human))
BDBM50279935
PNG
(CHEMBL4168463)
Show SMILES COc1ccc(NC(=O)CSC(=S)N\N=C\c2cscn2)cc1
Show InChI InChI=1S/C14H14N4O2S3/c1-20-12-4-2-10(3-5-12)17-13(19)8-23-14(21)18-16-6-11-7-22-9-15-11/h2-7,9H,8H2,1H3,(H,17,19)(H,18,21)/b16-6+
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n/an/a 2.10E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of cystathionine gamma-lyase (unknown origin) assessed as reduction in cysteine formation from CPM using L-cystathionine pre-incubated for...


ACS Med Chem Lett 8: 1241-1245 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00313
BindingDB Entry DOI: 10.7270/Q2N300GT
More data for this
Ligand-Target Pair
Cystathionine gamma-lyase


(Homo sapiens (Human))
BDBM50280019
PNG
(CHEMBL4167775)
Show SMILES Cc1ccc(NC(=O)CSC(=S)N\N=C\c2ncccc2C)cc1
Show InChI InChI=1S/C17H18N4OS2/c1-12-5-7-14(8-6-12)20-16(22)11-24-17(23)21-19-10-15-13(2)4-3-9-18-15/h3-10H,11H2,1-2H3,(H,20,22)(H,21,23)/b19-10+
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n/an/a 2.50E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of cystathionine gamma-lyase (unknown origin) assessed as reduction in cysteine formation from CPM using L-cystathionine pre-incubated for...


ACS Med Chem Lett 8: 1241-1245 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00313
BindingDB Entry DOI: 10.7270/Q2N300GT
More data for this
Ligand-Target Pair
Cystathionine gamma-lyase


(Homo sapiens (Human))
BDBM60996
PNG
(5-[(3-carboxy-4-hydroxy-phenyl)-(3-carboxy-4-keto-...)
Show SMILES OC(=O)C1=CC(C=CC1=O)=C(c1ccc(O)c(c1)C(O)=O)c1ccc(O)c(c1)C(O)=O
Show InChI InChI=1S/C22H14O9/c23-16-4-1-10(7-13(16)20(26)27)19(11-2-5-17(24)14(8-11)21(28)29)12-3-6-18(25)15(9-12)22(30)31/h1-9,23-24H,(H,26,27)(H,28,29)(H,30,31)
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n/an/a 2.60E+3n/an/an/an/an/an/a



Shanghai Jiao Tong University

Curated by ChEMBL


Assay Description
Inhibition of human CSE by methylene blue method


J Med Chem 62: 1677-1683 (2019)

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


(Homo sapiens (Human))
BDBM50279998
PNG
(CHEMBL4166122)
Show SMILES COc1ccc(NC(=O)CSC(=S)N\N=C\c2nn(C)cc2Cl)cc1
Show InChI InChI=1S/C15H16ClN5O2S2/c1-21-8-12(16)13(20-21)7-17-19-15(24)25-9-14(22)18-10-3-5-11(23-2)6-4-10/h3-8H,9H2,1-2H3,(H,18,22)(H,19,24)/b17-7+
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n/an/a 2.70E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of cystathionine gamma-lyase (unknown origin) assessed as reduction in cysteine formation from CPM using L-cystathionine pre-incubated for...


ACS Med Chem Lett 8: 1241-1245 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00313
BindingDB Entry DOI: 10.7270/Q2N300GT
More data for this
Ligand-Target Pair
Cystathionine gamma-lyase


(Homo sapiens (Human))
BDBM50279979
PNG
(CHEMBL4176894)
Show SMILES CC(C)(C)c1ccc(NC(=O)CSC(=S)N\N=C\c2ccccn2)cc1
Show InChI InChI=1S/C19H22N4OS2/c1-19(2,3)14-7-9-15(10-8-14)22-17(24)13-26-18(25)23-21-12-16-6-4-5-11-20-16/h4-12H,13H2,1-3H3,(H,22,24)(H,23,25)/b21-12+
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n/an/a 3.00E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of cystathionine gamma-lyase (unknown origin) assessed as reduction in cysteine formation from CPM using L-cystathionine pre-incubated for...


ACS Med Chem Lett 8: 1241-1245 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00313
BindingDB Entry DOI: 10.7270/Q2N300GT
More data for this
Ligand-Target Pair
Cystathionine gamma-lyase


(Homo sapiens (Human))
BDBM50279999
PNG
(CHEMBL4169541)
Show SMILES Cc1ccc(NC(=O)CSC(=S)N\N=C\c2nn(C)cc2Cl)cc1
Show InChI InChI=1S/C15H16ClN5OS2/c1-10-3-5-11(6-4-10)18-14(22)9-24-15(23)19-17-7-13-12(16)8-21(2)20-13/h3-8H,9H2,1-2H3,(H,18,22)(H,19,23)/b17-7+
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n/an/a 3.00E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of cystathionine gamma-lyase (unknown origin) assessed as reduction in cysteine formation from CPM using L-cystathionine pre-incubated for...


ACS Med Chem Lett 8: 1241-1245 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00313
BindingDB Entry DOI: 10.7270/Q2N300GT
More data for this
Ligand-Target Pair
Cystathionine gamma-lyase


(Homo sapiens (Human))
BDBM60996
PNG
(5-[(3-carboxy-4-hydroxy-phenyl)-(3-carboxy-4-keto-...)
Show SMILES OC(=O)C1=CC(C=CC1=O)=C(c1ccc(O)c(c1)C(O)=O)c1ccc(O)c(c1)C(O)=O
Show InChI InChI=1S/C22H14O9/c23-16-4-1-10(7-13(16)20(26)27)19(11-2-5-17(24)14(8-11)21(28)29)12-3-6-18(25)15(9-12)22(30)31/h1-9,23-24H,(H,26,27)(H,28,29)(H,30,31)
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n/an/a 3.30E+3n/an/an/an/an/an/a



Shanghai Jiao Tong University

Curated by ChEMBL


Assay Description
Inhibition of human CSE using H-Cys as the substrate by LC/MS/MS-based assay


J Med Chem 62: 1677-1683 (2019)

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


(Homo sapiens (Human))
BDBM50280025
PNG
(CHEMBL4170080)
Show SMILES Cc1ccc(NC(=O)CSC(=S)N\N=C\c2cccc(C)n2)cc1
Show InChI InChI=1S/C17H18N4OS2/c1-12-6-8-14(9-7-12)20-16(22)11-24-17(23)21-18-10-15-5-3-4-13(2)19-15/h3-10H,11H2,1-2H3,(H,20,22)(H,21,23)/b18-10+
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n/an/a 3.50E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of cystathionine gamma-lyase (unknown origin) assessed as reduction in cysteine formation from CPM using L-cystathionine pre-incubated for...


ACS Med Chem Lett 8: 1241-1245 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00313
BindingDB Entry DOI: 10.7270/Q2N300GT
More data for this
Ligand-Target Pair
Cystathionine gamma-lyase


(Homo sapiens (Human))
BDBM50280023
PNG
(CHEMBL4177072)
Show SMILES CSC(=S)N\N=C\c1ncccc1F
Show InChI InChI=1S/C8H8FN3S2/c1-14-8(13)12-11-5-7-6(9)3-2-4-10-7/h2-5H,1H3,(H,12,13)/b11-5+
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n/an/a 5.00E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of cystathionine gamma-lyase (unknown origin) assessed as reduction in cysteine formation from CPM using L-cystathionine pre-incubated for...


ACS Med Chem Lett 8: 1241-1245 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00313
BindingDB Entry DOI: 10.7270/Q2N300GT
More data for this
Ligand-Target Pair
Cystathionine gamma-lyase


(Homo sapiens (Human))
BDBM50279975
PNG
(CHEMBL4170257)
Show SMILES CSC(=S)N\N=C\c1cccc(C)n1
Show InChI InChI=1S/C9H11N3S2/c1-7-4-3-5-8(11-7)6-10-12-9(13)14-2/h3-6H,1-2H3,(H,12,13)/b10-6+
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n/an/a 5.00E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of cystathionine gamma-lyase (unknown origin) assessed as reduction in cysteine formation from CPM using L-cystathionine pre-incubated for...


ACS Med Chem Lett 8: 1241-1245 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00313
BindingDB Entry DOI: 10.7270/Q2N300GT
More data for this
Ligand-Target Pair
Cystathionine gamma-lyase


(Homo sapiens (Human))
BDBM50280027
PNG
(CHEMBL4176749)
Show SMILES Cn1cc(Cl)c(\C=N\NC(=S)SCC(=O)Nc2ccc(cc2)C(C)(C)C)n1
Show InChI InChI=1S/C18H22ClN5OS2/c1-18(2,3)12-5-7-13(8-6-12)21-16(25)11-27-17(26)22-20-9-15-14(19)10-24(4)23-15/h5-10H,11H2,1-4H3,(H,21,25)(H,22,26)/b20-9+
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n/an/a 6.00E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of cystathionine gamma-lyase (unknown origin) assessed as reduction in cysteine formation from CPM using L-cystathionine pre-incubated for...


ACS Med Chem Lett 8: 1241-1245 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00313
BindingDB Entry DOI: 10.7270/Q2N300GT
More data for this
Ligand-Target Pair
Cystathionine gamma-lyase


(Homo sapiens (Human))
BDBM50280012
PNG
(CHEMBL4174491)
Show SMILES Fc1cccnc1\C=N\NC(=S)SCC(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C16H12F4N4OS2/c17-12-2-1-7-21-13(12)8-22-24-15(26)27-9-14(25)23-11-5-3-10(4-6-11)16(18,19)20/h1-8H,9H2,(H,23,25)(H,24,26)/b22-8+
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n/an/a 6.00E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of cystathionine gamma-lyase (unknown origin) assessed as reduction in cysteine formation from CPM using L-cystathionine pre-incubated for...


ACS Med Chem Lett 8: 1241-1245 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00313
BindingDB Entry DOI: 10.7270/Q2N300GT
More data for this
Ligand-Target Pair
Cystathionine gamma-lyase


(Homo sapiens (Human))
BDBM50279974
PNG
(CHEMBL4159631)
Show SMILES CSC(=S)N\N=C\c1nn(C)cc1Cl
Show InChI InChI=1S/C7H9ClN4S2/c1-12-4-5(8)6(11-12)3-9-10-7(13)14-2/h3-4H,1-2H3,(H,10,13)/b9-3+
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n/an/a 6.00E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of cystathionine gamma-lyase (unknown origin) assessed as reduction in cysteine formation from CPM using L-cystathionine pre-incubated for...


ACS Med Chem Lett 8: 1241-1245 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00313
BindingDB Entry DOI: 10.7270/Q2N300GT
More data for this
Ligand-Target Pair
Cystathionine gamma-lyase


(Homo sapiens (Human))
BDBM50279943
PNG
(CHEMBL4160479)
Show SMILES CSC(=S)N\N=C\c1ccccn1
Show InChI InChI=1S/C8H9N3S2/c1-13-8(12)11-10-6-7-4-2-3-5-9-7/h2-6H,1H3,(H,11,12)/b10-6+
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n/an/a 6.00E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of cystathionine gamma-lyase (unknown origin) assessed as reduction in cysteine formation from CPM using L-cystathionine pre-incubated for...


ACS Med Chem Lett 8: 1241-1245 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00313
BindingDB Entry DOI: 10.7270/Q2N300GT
More data for this
Ligand-Target Pair
Cystathionine gamma-lyase


(Homo sapiens (Human))
BDBM50279940
PNG
(CHEMBL4159463)
Show SMILES Cc1cccc(\C=N\NC(=S)SCC(=O)Nc2ccc(cc2)C(C)(C)C)n1
Show InChI InChI=1S/C20H24N4OS2/c1-14-6-5-7-17(22-14)12-21-24-19(26)27-13-18(25)23-16-10-8-15(9-11-16)20(2,3)4/h5-12H,13H2,1-4H3,(H,23,25)(H,24,26)/b21-12+
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n/an/a 6.00E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of cystathionine gamma-lyase (unknown origin) assessed as reduction in cysteine formation from CPM using L-cystathionine pre-incubated for...


ACS Med Chem Lett 8: 1241-1245 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00313
BindingDB Entry DOI: 10.7270/Q2N300GT
More data for this
Ligand-Target Pair
Cystathionine gamma-lyase


(Homo sapiens (Human))
BDBM50279933
PNG
(CHEMBL4169868)
Show SMILES CSC(=S)N\N=C\c1ncccc1C
Show InChI InChI=1S/C9H11N3S2/c1-7-4-3-5-10-8(7)6-11-12-9(13)14-2/h3-6H,1-2H3,(H,12,13)/b11-6+
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n/an/a 6.00E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of cystathionine gamma-lyase (unknown origin) assessed as reduction in cysteine formation from CPM using L-cystathionine pre-incubated for...


ACS Med Chem Lett 8: 1241-1245 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00313
BindingDB Entry DOI: 10.7270/Q2N300GT
More data for this
Ligand-Target Pair
Cystathionine gamma-lyase


(Homo sapiens (Human))
BDBM50279932
PNG
(CHEMBL3318351)
Show SMILES CSC1=NNC(S1)c1ccccn1
Show InChI InChI=1S/C8H9N3S2/c1-12-8-11-10-7(13-8)6-4-2-3-5-9-6/h2-5,7,10H,1H3
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n/an/a 6.00E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of cystathionine gamma-lyase (unknown origin) assessed as reduction in cysteine formation from CPM using L-cystathionine pre-incubated for...


ACS Med Chem Lett 8: 1241-1245 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00313
BindingDB Entry DOI: 10.7270/Q2N300GT
More data for this
Ligand-Target Pair
Cystathionine gamma-lyase


(Homo sapiens (Human))
BDBM64987
PNG
(5-nitro-8-quinolinol | 5-nitroquinolin-8-ol | 8-HY...)
Show SMILES Oc1ccc([N+]([O-])=O)c2cccnc12
Show InChI InChI=1S/C9H6N2O3/c12-8-4-3-7(11(13)14)6-2-1-5-10-9(6)8/h1-5,12H
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n/an/a 6.00E+3n/an/an/an/an/an/a



Shanghai Jiao Tong University

Curated by ChEMBL


Assay Description
Inhibition of human CSE using H-Cys as the substrate by LC/MS/MS-based assay


J Med Chem 62: 1677-1683 (2019)

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


(Homo sapiens (Human))
BDBM50279978
PNG
(CHEMBL4173530)
Show SMILES O=C(CSC(=S)N\N=C\c1ccccn1)Nc1ccccc1
Show InChI InChI=1S/C15H14N4OS2/c20-14(18-12-6-2-1-3-7-12)11-22-15(21)19-17-10-13-8-4-5-9-16-13/h1-10H,11H2,(H,18,20)(H,19,21)/b17-10+
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n/an/a 6.00E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of cystathionine gamma-lyase (unknown origin) assessed as reduction in cysteine formation from CPM using L-cystathionine pre-incubated for...


ACS Med Chem Lett 8: 1241-1245 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00313
BindingDB Entry DOI: 10.7270/Q2N300GT
More data for this
Ligand-Target Pair
Cystathionine gamma-lyase


(Homo sapiens (Human))
BDBM50548267
PNG
(CHEMBL4761159)
Show SMILES COc1cccc2C(=O)C3=C([C@H](C)O[C@@H](CC(O)=O)C3)C(=O)c12
Show InChI InChI=1S/C17H16O6/c1-8-14-11(6-9(23-8)7-13(18)19)16(20)10-4-3-5-12(22-2)15(10)17(14)21/h3-5,8-9H,6-7H2,1-2H3,(H,18,19)/t8-,9+/m0/s1
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n/an/a 6.20E+3n/an/an/an/an/an/a



Shanghai Jiao Tong University

Curated by ChEMBL


Assay Description
Non-covalent reversible inhibition of human CSE


J Med Chem 62: 1677-1683 (2019)

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


(Homo sapiens (Human))
BDBM50548267
PNG
(CHEMBL4761159)
Show SMILES COc1cccc2C(=O)C3=C([C@H](C)O[C@@H](CC(O)=O)C3)C(=O)c12
Show InChI InChI=1S/C17H16O6/c1-8-14-11(6-9(23-8)7-13(18)19)16(20)10-4-3-5-12(22-2)15(10)17(14)21/h3-5,8-9H,6-7H2,1-2H3,(H,18,19)/t8-,9+/m0/s1
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n/an/a 6.20E+3n/an/an/an/an/an/a



Shanghai Jiao Tong University

Curated by ChEMBL


Assay Description
Inhibition of human CSE using L-Cys as the substrate by tandem well based HTS assay


J Med Chem 62: 1677-1683 (2019)

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


(Homo sapiens (Human))
BDBM50279937
PNG
(CHEMBL1985550)
Show SMILES NC1=CC(=N)c2ccc(=O)[nH]c2C1=O
Show InChI InChI=1S/C9H7N3O2/c10-5-3-6(11)9(14)8-4(5)1-2-7(13)12-8/h1-3,10H,11H2,(H,12,13)
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n/an/a 6.30E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of cystathionine gamma-lyase (unknown origin)


ACS Med Chem Lett 8: 1241-1245 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00313
BindingDB Entry DOI: 10.7270/Q2N300GT
More data for this
Ligand-Target Pair
Cystathionine gamma-lyase


(Homo sapiens (Human))
BDBM50280028
PNG
(CHEMBL4162997)
Show SMILES CSC(=S)N\N=C\c1cscn1
Show InChI InChI=1S/C6H7N3S3/c1-11-6(10)9-8-2-5-3-12-4-7-5/h2-4H,1H3,(H,9,10)/b8-2+
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n/an/a 7.00E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of cystathionine gamma-lyase (unknown origin) assessed as reduction in cysteine formation from CPM using L-cystathionine pre-incubated for...


ACS Med Chem Lett 8: 1241-1245 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00313
BindingDB Entry DOI: 10.7270/Q2N300GT
More data for this
Ligand-Target Pair
Cystathionine gamma-lyase


(Homo sapiens (Human))
BDBM50548267
PNG
(CHEMBL4761159)
Show SMILES COc1cccc2C(=O)C3=C([C@H](C)O[C@@H](CC(O)=O)C3)C(=O)c12
Show InChI InChI=1S/C17H16O6/c1-8-14-11(6-9(23-8)7-13(18)19)16(20)10-4-3-5-12(22-2)15(10)17(14)21/h3-5,8-9H,6-7H2,1-2H3,(H,18,19)/t8-,9+/m0/s1
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n/an/a 7.40E+3n/an/an/an/an/an/a



Shanghai Jiao Tong University

Curated by ChEMBL


Assay Description
Inhibition of human CSE using H-Cys as the substrate by tandem well based HTS assay


J Med Chem 62: 1677-1683 (2019)

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


(Homo sapiens (Human))
BDBM64987
PNG
(5-nitro-8-quinolinol | 5-nitroquinolin-8-ol | 8-HY...)
Show SMILES Oc1ccc([N+]([O-])=O)c2cccnc12
Show InChI InChI=1S/C9H6N2O3/c12-8-4-3-7(11(13)14)6-2-1-5-10-9(6)8/h1-5,12H
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n/an/a 8.00E+3n/an/an/an/an/an/a



Shanghai Jiao Tong University

Curated by ChEMBL


Assay Description
Inhibition of human CSE using L-Cys as the substrate by tandem well based HTS assay


J Med Chem 62: 1677-1683 (2019)

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)


BindingDB Entry DOI: 10.7270/Q2765HG7
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)


BindingDB Entry DOI: 10.7270/Q2765HG7
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)


BindingDB Entry DOI: 10.7270/Q2765HG7
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)


BindingDB Entry DOI: 10.7270/Q2765HG7
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)


BindingDB Entry DOI: 10.7270/Q2765HG7
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)


BindingDB Entry DOI: 10.7270/Q2765HG7
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)


BindingDB Entry DOI: 10.7270/Q2765HG7
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)


BindingDB Entry DOI: 10.7270/Q2765HG7
More data for this
Ligand-Target Pair
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)


BindingDB Entry DOI: 10.7270/Q2765HG7
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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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)


BindingDB Entry DOI: 10.7270/Q2765HG7
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)


BindingDB Entry DOI: 10.7270/Q2765HG7
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)
PDB
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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)


BindingDB Entry DOI: 10.7270/Q2765HG7
More data for this
Ligand-Target Pair
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