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Compile Data Set for Download or QSAR

Found 48 hits of ic50 data for polymerid = 6261   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
S-nitrosoglutathione reductase (GSNOR)


(Homo sapiens (Human))
BDBM140260
PNG
(US8906933, (S)-4-(3-ethoxy-4-hydroxy-5-nitrophenyl...)
Show SMILES CCOc1cc(cc(c1O)[N+]([O-])=O)[C@@H]1NC(=O)NC(=C1c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H21N3O5/c1-2-32-19-14-17(13-18(23(19)28)27(30)31)22-20(15-9-5-3-6-10-15)21(25-24(29)26-22)16-11-7-4-8-12-16/h3-14,22,28H,2H2,1H3,(H2,25,26,29)/t22-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



N30 Pharmaceuticals, Inc.

US Patent


Assay Description
Receptor binding assays were performed using crude membranes prepared from CHO cells expressing human NK3 receptor. Osanetant (SR142801), a non-pepti...


US Patent US8906933 (2014)

More data for this
Ligand-Target Pair
S-nitrosoglutathione reductase (GSNOR)


(Homo sapiens (Human))
BDBM123711
PNG
(US8741915, 2)
Show SMILES CCOc1cc(cc(c1O)[N+]([O-])=O)[C@@H]1NC(=O)N=C(C1c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H21N3O5/c1-2-32-19-14-17(13-18(23(19)28)27(30)31)22-20(15-9-5-3-6-10-15)21(25-24(29)26-22)16-11-7-4-8-12-16/h3-14,20,22,28H,2H2,1H3,(H,26,29)/t20?,22-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



N30 Pharmaceuticals, Inc.

US Patent


Assay Description
GSNO and Enzyme/NADH Solutions are made up fresh each day. The Solutions are filtered and allowed to warm to room temperature. GSNO Solution: 100 mM ...


US Patent US8741915 (2014)

More data for this
Ligand-Target Pair
S-nitrosoglutathione reductase (GSNOR)


(Homo sapiens (Human))
BDBM47039
PNG
(US8906933, (R)-3-ethoxy-2-hydroxy-5-(6-(1-methyl-1...)
Show SMILES CCOc1cc(cc(C(O)=O)c1O)C1NC(=O)NC(C1c1ccsc1)c1cnn(C)c1
Show InChI InChI=1S/C21H22N4O5S/c1-3-30-15-7-12(6-14(19(15)26)20(27)28)17-16(11-4-5-31-10-11)18(24-21(29)23-17)13-8-22-25(2)9-13/h4-10,16-18,26H,3H2,1-2H3,(H,27,28)(H2,23,24,29)
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n/an/a 13n/an/an/an/an/an/a



N30 Pharmaceuticals, Inc.

US Patent


Assay Description
Receptor binding assays were performed using crude membranes prepared from CHO cells expressing human NK3 receptor. Osanetant (SR142801), a non-pepti...


US Patent US8906933 (2014)

More data for this
Ligand-Target Pair
S-nitrosoglutathione reductase (GSNOR)


(Homo sapiens (Human))
BDBM123704
PNG
(US8741915, 146)
Show SMILES CCOc1cc(cc(C(O)=O)c1O)[C@@H]1NC(=O)N=C(C1c1ccsc1)c1cnn(C)c1
Show InChI InChI=1S/C21H20N4O5S/c1-3-30-15-7-12(6-14(19(15)26)20(27)28)17-16(11-4-5-31-10-11)18(24-21(29)23-17)13-8-22-25(2)9-13/h4-10,16-17,26H,3H2,1-2H3,(H,23,29)(H,27,28)/t16?,17-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



N30 Pharmaceuticals, Inc.

US Patent


Assay Description
GSNO and Enzyme/NADH Solutions are made up fresh each day. The Solutions are filtered and allowed to warm to room temperature. GSNO Solution: 100 mM ...


US Patent US8741915 (2014)

More data for this
Ligand-Target Pair
S-nitrosoglutathione reductase (GSNOR)


(Homo sapiens (Human))
BDBM47037
PNG
(US8906933, (S)-4-(3-ethoxy-4-hydroxy-5-nitrophenyl...)
Show SMILES CCOc1cc(cc(c1O)[N+]([O-])=O)[C@@H]1NC(=O)NC(=C1c1ccsc1)c1cccnc1
Show InChI InChI=1S/C21H18N4O5S/c1-2-30-16-9-14(8-15(20(16)26)25(28)29)19-17(13-5-7-31-11-13)18(23-21(27)24-19)12-4-3-6-22-10-12/h3-11,19,26H,2H2,1H3,(H2,23,24,27)/t19-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



N30 Pharmaceuticals, Inc.

US Patent


Assay Description
Receptor binding assays were performed using crude membranes prepared from CHO cells expressing human NK3 receptor. Osanetant (SR142801), a non-pepti...


US Patent US8906933 (2014)

More data for this
Ligand-Target Pair
S-nitrosoglutathione reductase (GSNOR)


(Homo sapiens (Human))
BDBM123702
PNG
(US8741915, 143 | US8741915, 144)
Show SMILES CCOc1cc(cc(c1O)N(=O)=O)C1=NC(=O)NC(C1c1ccsc1)c1cccnc1
Show InChI InChI=1S/C21H18N4O5S/c1-2-30-16-9-14(8-15(20(16)26)25(28)29)19-17(13-5-7-31-11-13)18(23-21(27)24-19)12-4-3-6-22-10-12/h3-11,17-18,26H,2H2,1H3,(H,23,27)
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n/an/a 16n/an/an/an/an/an/a



N30 Pharmaceuticals, Inc.

US Patent


Assay Description
GSNO and Enzyme/NADH Solutions are made up fresh each day. The Solutions are filtered and allowed to warm to room temperature. GSNO Solution: 100 mM ...


US Patent US8741915 (2014)

More data for this
Ligand-Target Pair
S-nitrosoglutathione reductase (GSNOR)


(Homo sapiens (Human))
BDBM140262
PNG
(US8906933, (S)-4-(3-ethoxy-4-hydroxy-5-nitrophenyl...)
Show SMILES CCOc1cc(cc(c1O)[N+]([O-])=O)[C@@H]1NC(=O)NC(=C1c1ccsc1)c1ccccc1
Show InChI InChI=1S/C22H19N3O5S/c1-2-30-17-11-15(10-16(21(17)26)25(28)29)20-18(14-8-9-31-12-14)19(23-22(27)24-20)13-6-4-3-5-7-13/h3-12,20,26H,2H2,1H3,(H2,23,24,27)/t20-/m0/s1
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n/an/a 18n/an/an/an/an/an/a



N30 Pharmaceuticals, Inc.

US Patent


Assay Description
Receptor binding assays were performed using crude membranes prepared from CHO cells expressing human NK3 receptor. Osanetant (SR142801), a non-pepti...


US Patent US8906933 (2014)

More data for this
Ligand-Target Pair
S-nitrosoglutathione reductase (GSNOR)


(Homo sapiens (Human))
BDBM123712
PNG
(US8741915, 6)
Show SMILES CCOc1cc(cc(c1O)[N+]([O-])=O)[C@@H]1NC(=O)N=C(C1c1ccsc1)c1ccccc1
Show InChI InChI=1S/C22H19N3O5S/c1-2-30-17-11-15(10-16(21(17)26)25(28)29)20-18(14-8-9-31-12-14)19(23-22(27)24-20)13-6-4-3-5-7-13/h3-12,18,20,26H,2H2,1H3,(H,24,27)/t18?,20-/m0/s1
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n/an/a 18n/an/an/an/an/an/a



N30 Pharmaceuticals, Inc.

US Patent


Assay Description
GSNO and Enzyme/NADH Solutions are made up fresh each day. The Solutions are filtered and allowed to warm to room temperature. GSNO Solution: 100 mM ...


US Patent US8741915 (2014)

More data for this
Ligand-Target Pair
S-nitrosoglutathione reductase (GSNOR)


(Homo sapiens (Human))
BDBM123694
PNG
(US8741915, 5)
Show SMILES CCOc1cc(cc(c1O)N(=O)=O)C1NC(=O)N=C(C1c1ccsc1)c1ccccc1
Show InChI InChI=1S/C22H19N3O5S/c1-2-30-17-11-15(10-16(21(17)26)25(28)29)20-18(14-8-9-31-12-14)19(23-22(27)24-20)13-6-4-3-5-7-13/h3-12,18,20,26H,2H2,1H3,(H,24,27)
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n/an/a 19n/an/an/an/an/an/a



N30 Pharmaceuticals, Inc.

US Patent


Assay Description
GSNO and Enzyme/NADH Solutions are made up fresh each day. The Solutions are filtered and allowed to warm to room temperature. GSNO Solution: 100 mM ...


US Patent US8741915 (2014)

More data for this
Ligand-Target Pair
S-nitrosoglutathione reductase (GSNOR)


(Homo sapiens (Human))
BDBM46437
PNG
(US8906933, 4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-6-...)
Show SMILES CCOc1cc(cc(c1O)[N+]([O-])=O)C1NC(=O)NC(=C1c1ccsc1)c1ccccc1
Show InChI InChI=1S/C22H19N3O5S/c1-2-30-17-11-15(10-16(21(17)26)25(28)29)20-18(14-8-9-31-12-14)19(23-22(27)24-20)13-6-4-3-5-7-13/h3-12,20,26H,2H2,1H3,(H2,23,24,27)
PDB

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n/an/a 19n/an/an/an/an/an/a



N30 Pharmaceuticals, Inc.

US Patent


Assay Description
Receptor binding assays were performed using crude membranes prepared from CHO cells expressing human NK3 receptor. Osanetant (SR142801), a non-pepti...


US Patent US8906933 (2014)

More data for this
Ligand-Target Pair
S-nitrosoglutathione reductase (GSNOR)


(Homo sapiens (Human))
BDBM123710
PNG
(US8741915, 169)
Show SMILES Cn1cc(cn1)C1=NC(=O)N[C@H](C1c1ccsc1)c1ccc(C(O)=O)c(O)c1
Show InChI InChI=1S/C19H16N4O4S/c1-23-8-12(7-20-23)17-15(11-4-5-28-9-11)16(21-19(27)22-17)10-2-3-13(18(25)26)14(24)6-10/h2-9,15-16,24H,1H3,(H,21,27)(H,25,26)/t15?,16-/m0/s1
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n/an/a 23n/an/an/an/an/an/a



N30 Pharmaceuticals, Inc.

US Patent


Assay Description
GSNO and Enzyme/NADH Solutions are made up fresh each day. The Solutions are filtered and allowed to warm to room temperature. GSNO Solution: 100 mM ...


US Patent US8741915 (2014)

More data for this
Ligand-Target Pair
S-nitrosoglutathione reductase (GSNOR)


(Homo sapiens (Human))
BDBM47045
PNG
(US8906933, (R)-2-hydroxy-4-(6-(1-methyl-1H-pyrazol...)
Show SMILES Cn1cc(cn1)C1NC(=O)NC(C1c1ccsc1)c1ccc(C(O)=O)c(O)c1
Show InChI InChI=1S/C19H18N4O4S/c1-23-8-12(7-20-23)17-15(11-4-5-28-9-11)16(21-19(27)22-17)10-2-3-13(18(25)26)14(24)6-10/h2-9,15-17,24H,1H3,(H,25,26)(H2,21,22,27)
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n/an/a 23n/an/an/an/an/an/a



N30 Pharmaceuticals, Inc.

US Patent


Assay Description
Receptor binding assays were performed using crude membranes prepared from CHO cells expressing human NK3 receptor. Osanetant (SR142801), a non-pepti...


US Patent US8906933 (2014)

More data for this
Ligand-Target Pair
S-nitrosoglutathione reductase (GSNOR)


(Homo sapiens (Human))
BDBM47036
PNG
(US8906933, 4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-6-...)
Show SMILES CCOc1cc(cc(c1O)[N+]([O-])=O)C1NC(=O)NC(=C1c1ccsc1)c1cccnc1
Show InChI InChI=1S/C21H18N4O5S/c1-2-30-16-9-14(8-15(20(16)26)25(28)29)19-17(13-5-7-31-11-13)18(23-21(27)24-19)12-4-3-6-22-10-12/h3-11,19,26H,2H2,1H3,(H2,23,24,27)
PDB

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n/an/a 24n/an/an/an/an/an/a



N30 Pharmaceuticals, Inc.

US Patent


Assay Description
Receptor binding assays were performed using crude membranes prepared from CHO cells expressing human NK3 receptor. Osanetant (SR142801), a non-pepti...


US Patent US8906933 (2014)

More data for this
Ligand-Target Pair
S-nitrosoglutathione reductase (GSNOR)


(Homo sapiens (Human))
BDBM123696
PNG
(US8741915, 116)
Show SMILES CCOc1cc(cc(c1O)N(=O)=O)C1NC(=O)N=C(C1c1ccsc1)c1cccnc1
Show InChI InChI=1S/C21H18N4O5S/c1-2-30-16-9-14(8-15(20(16)26)25(28)29)19-17(13-5-7-31-11-13)18(23-21(27)24-19)12-4-3-6-22-10-12/h3-11,17,19,26H,2H2,1H3,(H,24,27)
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n/an/a 24n/an/an/an/an/an/a



N30 Pharmaceuticals, Inc.

US Patent


Assay Description
GSNO and Enzyme/NADH Solutions are made up fresh each day. The Solutions are filtered and allowed to warm to room temperature. GSNO Solution: 100 mM ...


US Patent US8741915 (2014)

More data for this
Ligand-Target Pair
S-nitrosoglutathione reductase (GSNOR)


(Homo sapiens (Human))
BDBM123701
PNG
(US8741915, 142)
Show SMILES CCOc1cc(cc(C(O)=O)c1O)C1NC(=O)N=C(C1c1ccsc1)c1cnn(C)c1
Show InChI InChI=1S/C21H20N4O5S/c1-3-30-15-7-12(6-14(19(15)26)20(27)28)17-16(11-4-5-31-10-11)18(24-21(29)23-17)13-8-22-25(2)9-13/h4-10,16-17,26H,3H2,1-2H3,(H,23,29)(H,27,28)
PDB

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n/an/a 27n/an/an/an/an/an/a



N30 Pharmaceuticals, Inc.

US Patent


Assay Description
GSNO and Enzyme/NADH Solutions are made up fresh each day. The Solutions are filtered and allowed to warm to room temperature. GSNO Solution: 100 mM ...


US Patent US8741915 (2014)

More data for this
Ligand-Target Pair
S-nitrosoglutathione reductase (GSNOR)


(Homo sapiens (Human))
BDBM47039
PNG
(US8906933, (R)-3-ethoxy-2-hydroxy-5-(6-(1-methyl-1...)
Show SMILES CCOc1cc(cc(C(O)=O)c1O)C1NC(=O)NC(C1c1ccsc1)c1cnn(C)c1
Show InChI InChI=1S/C21H22N4O5S/c1-3-30-15-7-12(6-14(19(15)26)20(27)28)17-16(11-4-5-31-10-11)18(24-21(29)23-17)13-8-22-25(2)9-13/h4-10,16-18,26H,3H2,1-2H3,(H,27,28)(H2,23,24,29)
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n/an/a 27n/an/an/an/an/an/a



N30 Pharmaceuticals, Inc.

US Patent


Assay Description
Receptor binding assays were performed using crude membranes prepared from CHO cells expressing human NK3 receptor. Osanetant (SR142801), a non-pepti...


US Patent US8906933 (2014)

More data for this
Ligand-Target Pair
S-nitrosoglutathione reductase (GSNOR)


(Homo sapiens (Human))
BDBM140264
PNG
(US8906933, (S)-4-(3-ethoxy-4-hydroxy-5-nitrophenyl...)
Show SMILES CCOc1cc(cc(c1O)[N+]([O-])=O)[C@@H]1NC(=O)NC(=C1c1ccccc1)c1cccnc1
Show InChI InChI=1S/C23H20N4O5/c1-2-32-18-12-16(11-17(22(18)28)27(30)31)21-19(14-7-4-3-5-8-14)20(25-23(29)26-21)15-9-6-10-24-13-15/h3-13,21,28H,2H2,1H3,(H2,25,26,29)/t21-/m0/s1
PDB

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n/an/a 28n/an/an/an/an/an/a



N30 Pharmaceuticals, Inc.

US Patent


Assay Description
Receptor binding assays were performed using crude membranes prepared from CHO cells expressing human NK3 receptor. Osanetant (SR142801), a non-pepti...


US Patent US8906933 (2014)

More data for this
Ligand-Target Pair
S-nitrosoglutathione reductase (GSNOR)


(Homo sapiens (Human))
BDBM123714
PNG
(US8741915, 67)
Show SMILES CCOc1cc(cc(c1O)[N+]([O-])=O)[C@@H]1NC(=O)N=C(C1c1ccccc1)c1cccnc1
Show InChI InChI=1S/C23H20N4O5/c1-2-32-18-12-16(11-17(22(18)28)27(30)31)21-19(14-7-4-3-5-8-14)20(25-23(29)26-21)15-9-6-10-24-13-15/h3-13,19,21,28H,2H2,1H3,(H,26,29)/t19?,21-/m0/s1
PDB

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n/an/a 28n/an/an/an/an/an/a



N30 Pharmaceuticals, Inc.

US Patent


Assay Description
GSNO and Enzyme/NADH Solutions are made up fresh each day. The Solutions are filtered and allowed to warm to room temperature. GSNO Solution: 100 mM ...


US Patent US8741915 (2014)

More data for this
Ligand-Target Pair
S-nitrosoglutathione reductase (GSNOR)


(Homo sapiens (Human))
BDBM46287
PNG
(US8906933, 4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-5,...)
Show SMILES CCOc1cc(cc(c1O)[N+]([O-])=O)C1NC(=O)NC(=C1c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H21N3O5/c1-2-32-19-14-17(13-18(23(19)28)27(30)31)22-20(15-9-5-3-6-10-15)21(25-24(29)26-22)16-11-7-4-8-12-16/h3-14,22,28H,2H2,1H3,(H2,25,26,29)
PDB

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n/an/a 29n/an/an/an/an/an/a



N30 Pharmaceuticals, Inc.

US Patent


Assay Description
Receptor binding assays were performed using crude membranes prepared from CHO cells expressing human NK3 receptor. Osanetant (SR142801), a non-pepti...


US Patent US8906933 (2014)

More data for this
Ligand-Target Pair
S-nitrosoglutathione reductase (GSNOR)


(Homo sapiens (Human))
BDBM123693
PNG
(US8741915, 1)
Show SMILES CCOc1cc(cc(c1O)N(=O)=O)C1NC(=O)N=C(C1c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H21N3O5/c1-2-32-19-14-17(13-18(23(19)28)27(30)31)22-20(15-9-5-3-6-10-15)21(25-24(29)26-22)16-11-7-4-8-12-16/h3-14,20,22,28H,2H2,1H3,(H,26,29)
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n/an/a 29n/an/an/an/an/an/a



N30 Pharmaceuticals, Inc.

US Patent


Assay Description
GSNO and Enzyme/NADH Solutions are made up fresh each day. The Solutions are filtered and allowed to warm to room temperature. GSNO Solution: 100 mM ...


US Patent US8741915 (2014)

More data for this
Ligand-Target Pair
S-nitrosoglutathione reductase (GSNOR)


(Homo sapiens (Human))
BDBM47043
PNG
(US8906933, (S)-4-(3-ethoxy-4-hydroxy-5-nitrophenyl...)
Show SMILES CCOc1cc(cc(c1O)[N+]([O-])=O)[C@@H]1NC(=O)NC(c2ccn(C)n2)=C1c1ccsc1
Show InChI InChI=1S/C20H19N5O5S/c1-3-30-15-9-12(8-14(19(15)26)25(28)29)17-16(11-5-7-31-10-11)18(22-20(27)21-17)13-4-6-24(2)23-13/h4-10,17,26H,3H2,1-2H3,(H2,21,22,27)/t17-/m0/s1
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n/an/a 35n/an/an/an/an/an/a



N30 Pharmaceuticals, Inc.

US Patent


Assay Description
Receptor binding assays were performed using crude membranes prepared from CHO cells expressing human NK3 receptor. Osanetant (SR142801), a non-pepti...


US Patent US8906933 (2014)

More data for this
Ligand-Target Pair
S-nitrosoglutathione reductase (GSNOR)


(Homo sapiens (Human))
BDBM123706
PNG
(US8741915, 148)
Show SMILES CCOc1cc(cc(c1O)N(=O)=O)C1=NC(=O)NC(C1c1ccsc1)c1ccn(C)n1
Show InChI InChI=1S/C20H19N5O5S/c1-3-30-15-9-12(8-14(19(15)26)25(28)29)17-16(11-5-7-31-10-11)18(22-20(27)21-17)13-4-6-24(2)23-13/h4-10,16,18,26H,3H2,1-2H3,(H,22,27)
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n/an/a 35n/an/an/an/an/an/a



N30 Pharmaceuticals, Inc.

US Patent


Assay Description
GSNO and Enzyme/NADH Solutions are made up fresh each day. The Solutions are filtered and allowed to warm to room temperature. GSNO Solution: 100 mM ...


US Patent US8741915 (2014)

More data for this
Ligand-Target Pair
S-nitrosoglutathione reductase (GSNOR)


(Homo sapiens (Human))
BDBM47045
PNG
(US8906933, (R)-2-hydroxy-4-(6-(1-methyl-1H-pyrazol...)
Show SMILES Cn1cc(cn1)C1NC(=O)NC(C1c1ccsc1)c1ccc(C(O)=O)c(O)c1
Show InChI InChI=1S/C19H18N4O4S/c1-23-8-12(7-20-23)17-15(11-4-5-28-9-11)16(21-19(27)22-17)10-2-3-13(18(25)26)14(24)6-10/h2-9,15-17,24H,1H3,(H,25,26)(H2,21,22,27)
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n/an/a 39n/an/an/an/an/an/a



N30 Pharmaceuticals, Inc.

US Patent


Assay Description
Receptor binding assays were performed using crude membranes prepared from CHO cells expressing human NK3 receptor. Osanetant (SR142801), a non-pepti...


US Patent US8906933 (2014)

More data for this
Ligand-Target Pair
S-nitrosoglutathione reductase (GSNOR)


(Homo sapiens (Human))
BDBM123708
PNG
(US8741915, 159)
Show SMILES Cn1ccc(n1)C1=NC(=O)NC(C1c1ccsc1)c1ccc(C(O)=O)c(O)c1
Show InChI InChI=1S/C19H16N4O4S/c1-23-6-4-13(22-23)17-15(11-5-7-28-9-11)16(20-19(27)21-17)10-2-3-12(18(25)26)14(24)8-10/h2-9,15-16,24H,1H3,(H,20,27)(H,25,26)
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n/an/a 39n/an/an/an/an/an/a



N30 Pharmaceuticals, Inc.

US Patent


Assay Description
GSNO and Enzyme/NADH Solutions are made up fresh each day. The Solutions are filtered and allowed to warm to room temperature. GSNO Solution: 100 mM ...


US Patent US8741915 (2014)

More data for this
Ligand-Target Pair
S-nitrosoglutathione reductase (GSNOR)


(Homo sapiens (Human))
BDBM47042
PNG
(US8906933, 4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-6-...)
Show SMILES CCOc1cc(cc(c1O)[N+]([O-])=O)C1NC(=O)NC(c2ccn(C)n2)=C1c1ccsc1
Show InChI InChI=1S/C20H19N5O5S/c1-3-30-15-9-12(8-14(19(15)26)25(28)29)17-16(11-5-7-31-10-11)18(22-20(27)21-17)13-4-6-24(2)23-13/h4-10,17,26H,3H2,1-2H3,(H2,21,22,27)
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n/an/a 40n/an/an/an/an/an/a



N30 Pharmaceuticals, Inc.

US Patent


Assay Description
Receptor binding assays were performed using crude membranes prepared from CHO cells expressing human NK3 receptor. Osanetant (SR142801), a non-pepti...


US Patent US8906933 (2014)

More data for this
Ligand-Target Pair
S-nitrosoglutathione reductase (GSNOR)


(Homo sapiens (Human))
BDBM123697
PNG
(US8741915, 119)
Show SMILES CCOc1cc(cc(c1O)N(=O)=O)C1NC(=O)N=C(C1c1ccsc1)c1ccn(C)n1
Show InChI InChI=1S/C20H19N5O5S/c1-3-30-15-9-12(8-14(19(15)26)25(28)29)17-16(11-5-7-31-10-11)18(22-20(27)21-17)13-4-6-24(2)23-13/h4-10,16-17,26H,3H2,1-2H3,(H,21,27)
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n/an/a 40n/an/an/an/an/an/a



N30 Pharmaceuticals, Inc.

US Patent


Assay Description
GSNO and Enzyme/NADH Solutions are made up fresh each day. The Solutions are filtered and allowed to warm to room temperature. GSNO Solution: 100 mM ...


US Patent US8741915 (2014)

More data for this
Ligand-Target Pair
S-nitrosoglutathione reductase (GSNOR)


(Homo sapiens (Human))
BDBM123695
PNG
(US8741915, 65)
Show SMILES CCOc1cc(cc(c1O)N(=O)=O)C1NC(=O)N=C(C1c1ccccc1)c1cccnc1
Show InChI InChI=1S/C23H20N4O5/c1-2-32-18-12-16(11-17(22(18)28)27(30)31)21-19(14-7-4-3-5-8-14)20(25-23(29)26-21)15-9-6-10-24-13-15/h3-13,19,21,28H,2H2,1H3,(H,26,29)
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n/an/a 43n/an/an/an/an/an/a



N30 Pharmaceuticals, Inc.

US Patent


Assay Description
GSNO and Enzyme/NADH Solutions are made up fresh each day. The Solutions are filtered and allowed to warm to room temperature. GSNO Solution: 100 mM ...


US Patent US8741915 (2014)

More data for this
Ligand-Target Pair
S-nitrosoglutathione reductase (GSNOR)


(Homo sapiens (Human))
BDBM46438
PNG
(US8906933, 4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-5-...)
Show SMILES CCOc1cc(cc(c1O)[N+]([O-])=O)C1NC(=O)NC(=C1c1ccccc1)c1cccnc1
Show InChI InChI=1S/C23H20N4O5/c1-2-32-18-12-16(11-17(22(18)28)27(30)31)21-19(14-7-4-3-5-8-14)20(25-23(29)26-21)15-9-6-10-24-13-15/h3-13,21,28H,2H2,1H3,(H2,25,26,29)
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n/an/a 43n/an/an/an/an/an/a



N30 Pharmaceuticals, Inc.

US Patent


Assay Description
Receptor binding assays were performed using crude membranes prepared from CHO cells expressing human NK3 receptor. Osanetant (SR142801), a non-pepti...


US Patent US8906933 (2014)

More data for this
Ligand-Target Pair
S-nitrosoglutathione reductase (GSNOR)


(Homo sapiens (Human))
BDBM46727
PNG
(US8906933, (S)-3-ethoxy-2-hydroxy-5-(2-oxo-6-(pyri...)
Show SMILES CCOc1cc(cc(C(O)=O)c1O)[C@@H]1NC(=O)NC(C1c1ccsc1)c1cccnc1
Show InChI InChI=1S/C22H21N3O5S/c1-2-30-16-9-14(8-15(20(16)26)21(27)28)19-17(13-5-7-31-11-13)18(24-22(29)25-19)12-4-3-6-23-10-12/h3-11,17-19,26H,2H2,1H3,(H,27,28)(H2,24,25,29)/t17?,18?,19-/m0/s1
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n/an/a 67n/an/an/an/an/an/a



N30 Pharmaceuticals, Inc.

US Patent


Assay Description
Receptor binding assays were performed using crude membranes prepared from CHO cells expressing human NK3 receptor. Osanetant (SR142801), a non-pepti...


US Patent US8906933 (2014)

More data for this
Ligand-Target Pair
S-nitrosoglutathione reductase (GSNOR)


(Homo sapiens (Human))
BDBM123699
PNG
(US8741915, 125)
Show SMILES CCOc1cc(cc(C(O)=O)c1O)[C@@H]1NC(=O)N=C(C1c1ccsc1)c1cccnc1
Show InChI InChI=1S/C22H19N3O5S/c1-2-30-16-9-14(8-15(20(16)26)21(27)28)19-17(13-5-7-31-11-13)18(24-22(29)25-19)12-4-3-6-23-10-12/h3-11,17,19,26H,2H2,1H3,(H,25,29)(H,27,28)/t17?,19-/m0/s1
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n/an/a 67n/an/an/an/an/an/a



N30 Pharmaceuticals, Inc.

US Patent


Assay Description
GSNO and Enzyme/NADH Solutions are made up fresh each day. The Solutions are filtered and allowed to warm to room temperature. GSNO Solution: 100 mM ...


US Patent US8741915 (2014)

More data for this
Ligand-Target Pair
S-nitrosoglutathione reductase (GSNOR)


(Homo sapiens (Human))
BDBM46726
PNG
(US8906933, 3-ethoxy-2-hydroxy-5-(2-oxo-6-(pyridin-...)
Show SMILES CCOc1cc(cc(C(O)=O)c1O)C1NC(=O)NC(C1c1ccsc1)c1cccnc1
Show InChI InChI=1S/C22H21N3O5S/c1-2-30-16-9-14(8-15(20(16)26)21(27)28)19-17(13-5-7-31-11-13)18(24-22(29)25-19)12-4-3-6-23-10-12/h3-11,17-19,26H,2H2,1H3,(H,27,28)(H2,24,25,29)
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n/an/a 150n/an/an/an/an/an/a



N30 Pharmaceuticals, Inc.

US Patent


Assay Description
Receptor binding assays were performed using crude membranes prepared from CHO cells expressing human NK3 receptor. Osanetant (SR142801), a non-pepti...


US Patent US8906933 (2014)

More data for this
Ligand-Target Pair
S-nitrosoglutathione reductase (GSNOR)


(Homo sapiens (Human))
BDBM123700
PNG
(US8741915, 126)
Show SMILES CCOc1cc(cc(C(O)=O)c1O)C1NC(=O)N=C(C1c1ccsc1)c1cccnc1
Show InChI InChI=1S/C22H19N3O5S/c1-2-30-16-9-14(8-15(20(16)26)21(27)28)19-17(13-5-7-31-11-13)18(24-22(29)25-19)12-4-3-6-23-10-12/h3-11,17,19,26H,2H2,1H3,(H,25,29)(H,27,28)
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n/an/a 150n/an/an/an/an/an/a



N30 Pharmaceuticals, Inc.

US Patent


Assay Description
GSNO and Enzyme/NADH Solutions are made up fresh each day. The Solutions are filtered and allowed to warm to room temperature. GSNO Solution: 100 mM ...


US Patent US8741915 (2014)

More data for this
Ligand-Target Pair
S-nitrosoglutathione reductase (GSNOR)


(Homo sapiens (Human))
BDBM47039
PNG
(US8906933, (R)-3-ethoxy-2-hydroxy-5-(6-(1-methyl-1...)
Show SMILES CCOc1cc(cc(C(O)=O)c1O)C1NC(=O)NC(C1c1ccsc1)c1cnn(C)c1
Show InChI InChI=1S/C21H22N4O5S/c1-3-30-15-7-12(6-14(19(15)26)20(27)28)17-16(11-4-5-31-10-11)18(24-21(29)23-17)13-8-22-25(2)9-13/h4-10,16-18,26H,3H2,1-2H3,(H,27,28)(H2,23,24,29)
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n/an/a 580n/an/an/an/an/an/a



N30 Pharmaceuticals, Inc.

US Patent


Assay Description
Receptor binding assays were performed using crude membranes prepared from CHO cells expressing human NK3 receptor. Osanetant (SR142801), a non-pepti...


US Patent US8906933 (2014)

More data for this
Ligand-Target Pair
S-nitrosoglutathione reductase (GSNOR)


(Homo sapiens (Human))
BDBM123705
PNG
(US8741915, 147)
Show SMILES CCOc1cc(cc(C(O)=O)c1O)[C@H]1NC(=O)N=C(C1c1ccsc1)c1cnn(C)c1
Show InChI InChI=1S/C21H20N4O5S/c1-3-30-15-7-12(6-14(19(15)26)20(27)28)17-16(11-4-5-31-10-11)18(24-21(29)23-17)13-8-22-25(2)9-13/h4-10,16-17,26H,3H2,1-2H3,(H,23,29)(H,27,28)/t16?,17-/m1/s1
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n/an/a 580n/an/an/an/an/an/a



N30 Pharmaceuticals, Inc.

US Patent


Assay Description
GSNO and Enzyme/NADH Solutions are made up fresh each day. The Solutions are filtered and allowed to warm to room temperature. GSNO Solution: 100 mM ...


US Patent US8741915 (2014)

More data for this
Ligand-Target Pair
S-nitrosoglutathione reductase (GSNOR)


(Homo sapiens (Human))
BDBM123713
PNG
(US8741915, 7)
Show SMILES CCOc1cc(cc(c1O)[N+]([O-])=O)[C@H]1NC(=O)N=C(C1c1ccsc1)c1ccccc1
Show InChI InChI=1S/C22H19N3O5S/c1-2-30-17-11-15(10-16(21(17)26)25(28)29)20-18(14-8-9-31-12-14)19(23-22(27)24-20)13-6-4-3-5-7-13/h3-12,18,20,26H,2H2,1H3,(H,24,27)/t18?,20-/m1/s1
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n/an/a 1.82E+3n/an/an/an/an/an/a



N30 Pharmaceuticals, Inc.

US Patent


Assay Description
GSNO and Enzyme/NADH Solutions are made up fresh each day. The Solutions are filtered and allowed to warm to room temperature. GSNO Solution: 100 mM ...


US Patent US8741915 (2014)

More data for this
Ligand-Target Pair
S-nitrosoglutathione reductase (GSNOR)


(Homo sapiens (Human))
BDBM140263
PNG
(US8906933, (R)-4-(3-ethoxy-4-hydroxy-5-nitrophenyl...)
Show SMILES CCOc1cc(cc(c1O)[N+]([O-])=O)[C@H]1NC(=O)NC(=C1c1ccsc1)c1ccccc1
Show InChI InChI=1S/C22H19N3O5S/c1-2-30-17-11-15(10-16(21(17)26)25(28)29)20-18(14-8-9-31-12-14)19(23-22(27)24-20)13-6-4-3-5-7-13/h3-12,20,26H,2H2,1H3,(H2,23,24,27)/t20-/m1/s1
PDB

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n/an/a 1.82E+3n/an/an/an/an/an/a



N30 Pharmaceuticals, Inc.

US Patent


Assay Description
Receptor binding assays were performed using crude membranes prepared from CHO cells expressing human NK3 receptor. Osanetant (SR142801), a non-pepti...


US Patent US8906933 (2014)

More data for this
Ligand-Target Pair
S-nitrosoglutathione reductase (GSNOR)


(Homo sapiens (Human))
BDBM47038
PNG
(US8906933, (R)-4-(3-ethoxy-4-hydroxy-5-nitrophenyl...)
Show SMILES CCOc1cc(cc(c1O)[N+]([O-])=O)[C@H]1NC(=O)NC(=C1c1ccsc1)c1cccnc1
Show InChI InChI=1S/C21H18N4O5S/c1-2-30-16-9-14(8-15(20(16)26)25(28)29)19-17(13-5-7-31-11-13)18(23-21(27)24-19)12-4-3-6-22-10-12/h3-11,19,26H,2H2,1H3,(H2,23,24,27)/t19-/m1/s1
PDB

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n/an/a 1.90E+3n/an/an/an/an/an/a



N30 Pharmaceuticals, Inc.

US Patent


Assay Description
Receptor binding assays were performed using crude membranes prepared from CHO cells expressing human NK3 receptor. Osanetant (SR142801), a non-pepti...


US Patent US8906933 (2014)

More data for this
Ligand-Target Pair
S-nitrosoglutathione reductase (GSNOR)


(Homo sapiens (Human))
BDBM123702
PNG
(US8741915, 143 | US8741915, 144)
Show SMILES CCOc1cc(cc(c1O)N(=O)=O)C1=NC(=O)NC(C1c1ccsc1)c1cccnc1
Show InChI InChI=1S/C21H18N4O5S/c1-2-30-16-9-14(8-15(20(16)26)25(28)29)19-17(13-5-7-31-11-13)18(23-21(27)24-19)12-4-3-6-22-10-12/h3-11,17-18,26H,2H2,1H3,(H,23,27)
PDB

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n/an/a 1.90E+3n/an/an/an/an/an/a



N30 Pharmaceuticals, Inc.

US Patent


Assay Description
GSNO and Enzyme/NADH Solutions are made up fresh each day. The Solutions are filtered and allowed to warm to room temperature. GSNO Solution: 100 mM ...


US Patent US8741915 (2014)

More data for this
Ligand-Target Pair
S-nitrosoglutathione reductase (GSNOR)


(Homo sapiens (Human))
BDBM123698
PNG
(US8741915, 124)
Show SMILES CCOc1cc(cc(C(O)=O)c1O)[C@H]1NC(=O)N=C(C1c1ccsc1)c1cccnc1
Show InChI InChI=1S/C22H19N3O5S/c1-2-30-16-9-14(8-15(20(16)26)21(27)28)19-17(13-5-7-31-11-13)18(24-22(29)25-19)12-4-3-6-23-10-12/h3-11,17,19,26H,2H2,1H3,(H,25,29)(H,27,28)/t17?,19-/m1/s1
PDB

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n/an/a 3.17E+3n/an/an/an/an/an/a



N30 Pharmaceuticals, Inc.

US Patent


Assay Description
GSNO and Enzyme/NADH Solutions are made up fresh each day. The Solutions are filtered and allowed to warm to room temperature. GSNO Solution: 100 mM ...


US Patent US8741915 (2014)

More data for this
Ligand-Target Pair
S-nitrosoglutathione reductase (GSNOR)


(Homo sapiens (Human))
BDBM46739
PNG
(US8906933, (R)-3-ethoxy-2-hydroxy-5-(2-oxo-6-(pyri...)
Show SMILES CCOc1cc(cc(C(O)=O)c1O)[C@H]1NC(=O)NC(C1c1ccsc1)c1cccnc1
Show InChI InChI=1S/C22H21N3O5S/c1-2-30-16-9-14(8-15(20(16)26)21(27)28)19-17(13-5-7-31-11-13)18(24-22(29)25-19)12-4-3-6-23-10-12/h3-11,17-19,26H,2H2,1H3,(H,27,28)(H2,24,25,29)/t17?,18?,19-/m1/s1
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n/an/a 3.17E+3n/an/an/an/an/an/a



N30 Pharmaceuticals, Inc.

US Patent


Assay Description
Receptor binding assays were performed using crude membranes prepared from CHO cells expressing human NK3 receptor. Osanetant (SR142801), a non-pepti...


US Patent US8906933 (2014)

More data for this
Ligand-Target Pair
S-nitrosoglutathione reductase (GSNOR)


(Homo sapiens (Human))
BDBM47045
PNG
(US8906933, (R)-2-hydroxy-4-(6-(1-methyl-1H-pyrazol...)
Show SMILES Cn1cc(cn1)C1NC(=O)NC(C1c1ccsc1)c1ccc(C(O)=O)c(O)c1
Show InChI InChI=1S/C19H18N4O4S/c1-23-8-12(7-20-23)17-15(11-4-5-28-9-11)16(21-19(27)22-17)10-2-3-13(18(25)26)14(24)6-10/h2-9,15-17,24H,1H3,(H,25,26)(H2,21,22,27)
PDB

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n/an/a 4.25E+3n/an/an/an/an/an/a



N30 Pharmaceuticals, Inc.

US Patent


Assay Description
Receptor binding assays were performed using crude membranes prepared from CHO cells expressing human NK3 receptor. Osanetant (SR142801), a non-pepti...


US Patent US8906933 (2014)

More data for this
Ligand-Target Pair
S-nitrosoglutathione reductase (GSNOR)


(Homo sapiens (Human))
BDBM123709
PNG
(US8741915, 168)
Show SMILES Cn1cc(cn1)C1=NC(=O)N[C@@H](C1c1ccsc1)c1ccc(C(O)=O)c(O)c1
Show InChI InChI=1S/C19H16N4O4S/c1-23-8-12(7-20-23)17-15(11-4-5-28-9-11)16(21-19(27)22-17)10-2-3-13(18(25)26)14(24)6-10/h2-9,15-16,24H,1H3,(H,21,27)(H,25,26)/t15?,16-/m1/s1
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n/an/a 4.25E+3n/an/an/an/an/an/a



N30 Pharmaceuticals, Inc.

US Patent


Assay Description
GSNO and Enzyme/NADH Solutions are made up fresh each day. The Solutions are filtered and allowed to warm to room temperature. GSNO Solution: 100 mM ...


US Patent US8741915 (2014)

More data for this
Ligand-Target Pair
S-nitrosoglutathione reductase (GSNOR)


(Homo sapiens (Human))
BDBM140265
PNG
(US8906933, (R)-4-(3-ethoxy-4-hydroxy-5-nitrophenyl...)
Show SMILES CCOc1cc(cc(c1O)[N+]([O-])=O)[C@H]1NC(=O)NC(=C1c1ccccc1)c1cccnc1
Show InChI InChI=1S/C23H20N4O5/c1-2-32-18-12-16(11-17(22(18)28)27(30)31)21-19(14-7-4-3-5-8-14)20(25-23(29)26-21)15-9-6-10-24-13-15/h3-13,21,28H,2H2,1H3,(H2,25,26,29)/t21-/m1/s1
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n/an/a 6.02E+3n/an/an/an/an/an/a



N30 Pharmaceuticals, Inc.

US Patent


Assay Description
Receptor binding assays were performed using crude membranes prepared from CHO cells expressing human NK3 receptor. Osanetant (SR142801), a non-pepti...


US Patent US8906933 (2014)

More data for this
Ligand-Target Pair
S-nitrosoglutathione reductase (GSNOR)


(Homo sapiens (Human))
BDBM123715
PNG
(US8741915, 66)
Show SMILES CCOc1cc(cc(c1O)[N+]([O-])=O)[C@H]1NC(=O)N=C(C1c1ccccc1)c1cccnc1
Show InChI InChI=1S/C23H20N4O5/c1-2-32-18-12-16(11-17(22(18)28)27(30)31)21-19(14-7-4-3-5-8-14)20(25-23(29)26-21)15-9-6-10-24-13-15/h3-13,19,21,28H,2H2,1H3,(H,26,29)/t19?,21-/m1/s1
PDB

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n/an/a 6.02E+3n/an/an/an/an/an/a



N30 Pharmaceuticals, Inc.

US Patent


Assay Description
GSNO and Enzyme/NADH Solutions are made up fresh each day. The Solutions are filtered and allowed to warm to room temperature. GSNO Solution: 100 mM ...


US Patent US8741915 (2014)

More data for this
Ligand-Target Pair
S-nitrosoglutathione reductase (GSNOR)


(Homo sapiens (Human))
BDBM123716
PNG
(US8741915, 3)
Show SMILES CCOc1cc(cc(c1O)[N+]([O-])=O)[C@H]1NC(=O)N=C(C1c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H21N3O5/c1-2-32-19-14-17(13-18(23(19)28)27(30)31)22-20(15-9-5-3-6-10-15)21(25-24(29)26-22)16-11-7-4-8-12-16/h3-14,20,22,28H,2H2,1H3,(H,26,29)/t20?,22-/m1/s1
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n/an/a 1.97E+4n/an/an/an/an/an/a



N30 Pharmaceuticals, Inc.

US Patent


Assay Description
GSNO and Enzyme/NADH Solutions are made up fresh each day. The Solutions are filtered and allowed to warm to room temperature. GSNO Solution: 100 mM ...


US Patent US8741915 (2014)

More data for this
Ligand-Target Pair
S-nitrosoglutathione reductase (GSNOR)


(Homo sapiens (Human))
BDBM140261
PNG
(US8906933, (R)-4-(3-ethoxy-4-hydroxy-5-nitrophenyl...)
Show SMILES CCOc1cc(cc(c1O)[N+]([O-])=O)[C@H]1NC(=O)NC(=C1c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H21N3O5/c1-2-32-19-14-17(13-18(23(19)28)27(30)31)22-20(15-9-5-3-6-10-15)21(25-24(29)26-22)16-11-7-4-8-12-16/h3-14,22,28H,2H2,1H3,(H2,25,26,29)/t22-/m1/s1
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n/an/a 1.97E+4n/an/an/an/an/an/a



N30 Pharmaceuticals, Inc.

US Patent


Assay Description
Receptor binding assays were performed using crude membranes prepared from CHO cells expressing human NK3 receptor. Osanetant (SR142801), a non-pepti...


US Patent US8906933 (2014)

More data for this
Ligand-Target Pair
S-nitrosoglutathione reductase (GSNOR)


(Homo sapiens (Human))
BDBM47044
PNG
(US8906933, (R)-4-(3-ethoxy-4-hydroxy-5-nitrophenyl...)
Show SMILES CCOc1cc(cc(c1O)[N+]([O-])=O)[C@H]1NC(=O)NC(c2ccn(C)n2)=C1c1ccsc1
Show InChI InChI=1S/C20H19N5O5S/c1-3-30-15-9-12(8-14(19(15)26)25(28)29)17-16(11-5-7-31-10-11)18(22-20(27)21-17)13-4-6-24(2)23-13/h4-10,17,26H,3H2,1-2H3,(H2,21,22,27)/t17-/m1/s1
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n/an/a 3.10E+4n/an/an/an/an/an/a



N30 Pharmaceuticals, Inc.

US Patent


Assay Description
Receptor binding assays were performed using crude membranes prepared from CHO cells expressing human NK3 receptor. Osanetant (SR142801), a non-pepti...


US Patent US8906933 (2014)

More data for this
Ligand-Target Pair
S-nitrosoglutathione reductase (GSNOR)


(Homo sapiens (Human))
BDBM123707
PNG
(US8741915, 149)
Show SMILES CCOc1cc(cc(c1O)N(=O)=O)[C@H]1NC(=O)N=C(C1c1ccsc1)c1ccn(C)n1
Show InChI InChI=1S/C20H19N5O5S/c1-3-30-15-9-12(8-14(19(15)26)25(28)29)17-16(11-5-7-31-10-11)18(22-20(27)21-17)13-4-6-24(2)23-13/h4-10,16-17,26H,3H2,1-2H3,(H,21,27)/t16?,17-/m1/s1
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n/an/a 3.10E+4n/an/an/an/an/an/a



N30 Pharmaceuticals, Inc.

US Patent


Assay Description
GSNO and Enzyme/NADH Solutions are made up fresh each day. The Solutions are filtered and allowed to warm to room temperature. GSNO Solution: 100 mM ...


US Patent US8741915 (2014)

More data for this
Ligand-Target Pair