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Patent code US9791447

Compile Data Set for Download or QSAR
Found 30 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sentrin-specific protease 7 (SENP7)


(Homo sapiens (Human))
BDBM103834
PNG
(SPI-09 | US9791447, Compound SPI-09)
Show SMILES Nc1ccc2cc(cc(c2c1\N=N\c1ccc(cc1)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O
Show InChI InChI=1S/C16H13N3O9S3/c17-13-6-1-9-7-12(30(23,24)25)8-14(31(26,27)28)15(9)16(13)19-18-10-2-4-11(5-3-10)29(20,21)22/h1-8H,17H2,(H,20,21,22)(H,23,24,25)(H,26,27,28)/b19-18+
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City of Hope

US Patent


Assay Description
The binding of SPI-01 to the enzyme-substrate complex was investigated. CSP analysis was carried out on the 40 kDa complex of 15N-labeled full length...


US Patent US9791447 (2017)

More data for this
Ligand-Target Pair
Sentrin-specific protease 7 (SENP7)


(Homo sapiens (Human))
BDBM348889
PNG
(NSC58046 | US9791447, Compound SPI-07)
Show SMILES Cc1cc(N)ccc1\N=N\c1cc(c2cccc(c2c1)S([O-])(=O)=O)S(O)(=O)=O
Show InChI InChI=1S/C17H15N3O6S2/c1-10-7-11(18)5-6-15(10)20-19-12-8-14-13(17(9-12)28(24,25)26)3-2-4-16(14)27(21,22)23/h2-9H,18H2,1H3,(H,21,22,23)(H,24,25,26)/p-1/b20-19+
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City of Hope

US Patent


Assay Description
The binding of SPI-01 to the enzyme-substrate complex was investigated. CSP analysis was carried out on the 40 kDa complex of 15N-labeled full length...


US Patent US9791447 (2017)

More data for this
Ligand-Target Pair
Sentrin-specific protease 2 (SENP2)


(Homo sapiens (Human))
BDBM103827
PNG
(SPI-02 | US9791447, Compound SPI-02)
Show SMILES Cc1cc(ccc1\N=N\c1c(N)ccc2cc(ccc12)S(O)(=O)=O)-c1ccc(\N=N\c2c(N)c(cc3cc(ccc23)S(O)(=O)=O)S(O)(=O)=O)c(C)c1
Show InChI InChI=1S/C34H28N6O9S3/c1-18-13-20(4-11-29(18)37-39-33-26-8-6-24(50(41,42)43)15-22(26)3-10-28(33)35)21-5-12-30(19(2)14-21)38-40-34-27-9-7-25(51(44,45)46)16-23(27)17-31(32(34)36)52(47,48)49/h3-17H,35-36H2,1-2H3,(H,41,42,43)(H,44,45,46)(H,47,48,49)/b39-37+,40-38+
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Assay Description
The binding of SPI-01 to the enzyme-substrate complex was investigated. CSP analysis was carried out on the 40 kDa complex of 15N-labeled full length...


US Patent US9791447 (2017)

More data for this
Ligand-Target Pair
Sentrin-specific protease 7 (SENP7)


(Homo sapiens (Human))
BDBM103835
PNG
(SPI-10 | US9791447, Compound SPI-10)
Show SMILES Nc1ccc(\N=N\c2cccc(c2)S([O-])(=O)=O)c2ccccc12
Show InChI InChI=1S/C16H13N3O3S/c17-15-8-9-16(14-7-2-1-6-13(14)15)19-18-11-4-3-5-12(10-11)23(20,21)22/h1-10H,17H2,(H,20,21,22)/p-1/b19-18+
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US Patent


Assay Description
The binding of SPI-01 to the enzyme-substrate complex was investigated. CSP analysis was carried out on the 40 kDa complex of 15N-labeled full length...


US Patent US9791447 (2017)

More data for this
Ligand-Target Pair
Sentrin-specific protease 1 (SENP1)


(Homo sapiens (Human))
BDBM103827
PNG
(SPI-02 | US9791447, Compound SPI-02)
Show SMILES Cc1cc(ccc1\N=N\c1c(N)ccc2cc(ccc12)S(O)(=O)=O)-c1ccc(\N=N\c2c(N)c(cc3cc(ccc23)S(O)(=O)=O)S(O)(=O)=O)c(C)c1
Show InChI InChI=1S/C34H28N6O9S3/c1-18-13-20(4-11-29(18)37-39-33-26-8-6-24(50(41,42)43)15-22(26)3-10-28(33)35)21-5-12-30(19(2)14-21)38-40-34-27-9-7-25(51(44,45)46)16-23(27)17-31(32(34)36)52(47,48)49/h3-17H,35-36H2,1-2H3,(H,41,42,43)(H,44,45,46)(H,47,48,49)/b39-37+,40-38+
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Assay Description
The binding of SPI-01 to the enzyme-substrate complex was investigated. CSP analysis was carried out on the 40 kDa complex of 15N-labeled full length...


US Patent US9791447 (2017)

More data for this
Ligand-Target Pair
Sentrin-specific protease 2 (SENP2)


(Homo sapiens (Human))
BDBM103829
PNG
(SPI-04 | US9791447, Compound SPI-04)
Show SMILES Nc1ccc(\N=N\c2ccc(\C=C\c3ccc(cc3S(O)(=O)=O)\N=N\c3ccc(N)c4ccc(cc34)S([O-])(=O)=O)c(c2)S(O)(=O)=O)c2cc(ccc12)S(O)(=O)=O
Show InChI InChI=1S/C34H26N6O12S4/c35-29-11-13-31(27-17-23(53(41,42)43)7-9-25(27)29)39-37-21-5-3-19(33(15-21)55(47,48)49)1-2-20-4-6-22(16-34(20)56(50,51)52)38-40-32-14-12-30(36)26-10-8-24(18-28(26)32)54(44,45)46/h1-18H,35-36H2,(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,50,51,52)/p-1/b2-1+,39-37+,40-38+
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City of Hope

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Assay Description
The binding of SPI-01 to the enzyme-substrate complex was investigated. CSP analysis was carried out on the 40 kDa complex of 15N-labeled full length...


US Patent US9791447 (2017)

More data for this
Ligand-Target Pair
Sentrin-specific protease 1 (SENP1)


(Homo sapiens (Human))
BDBM103829
PNG
(SPI-04 | US9791447, Compound SPI-04)
Show SMILES Nc1ccc(\N=N\c2ccc(\C=C\c3ccc(cc3S(O)(=O)=O)\N=N\c3ccc(N)c4ccc(cc34)S([O-])(=O)=O)c(c2)S(O)(=O)=O)c2cc(ccc12)S(O)(=O)=O
Show InChI InChI=1S/C34H26N6O12S4/c35-29-11-13-31(27-17-23(53(41,42)43)7-9-25(27)29)39-37-21-5-3-19(33(15-21)55(47,48)49)1-2-20-4-6-22(16-34(20)56(50,51)52)38-40-32-14-12-30(36)26-10-8-24(18-28(26)32)54(44,45)46/h1-18H,35-36H2,(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,50,51,52)/p-1/b2-1+,39-37+,40-38+
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Assay Description
The binding of SPI-01 to the enzyme-substrate complex was investigated. CSP analysis was carried out on the 40 kDa complex of 15N-labeled full length...


US Patent US9791447 (2017)

More data for this
Ligand-Target Pair
Sentrin-specific protease 1 (SENP1)


(Homo sapiens (Human))
BDBM103835
PNG
(SPI-10 | US9791447, Compound SPI-10)
Show SMILES Nc1ccc(\N=N\c2cccc(c2)S([O-])(=O)=O)c2ccccc12
Show InChI InChI=1S/C16H13N3O3S/c17-15-8-9-16(14-7-2-1-6-13(14)15)19-18-11-4-3-5-12(10-11)23(20,21)22/h1-10H,17H2,(H,20,21,22)/p-1/b19-18+
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Assay Description
The binding of SPI-01 to the enzyme-substrate complex was investigated. CSP analysis was carried out on the 40 kDa complex of 15N-labeled full length...


US Patent US9791447 (2017)

More data for this
Ligand-Target Pair
Sentrin-specific protease 2 (SENP2)


(Homo sapiens (Human))
BDBM348885
PNG
(NSC8676 | US9791447, Compound SPI-03)
Show SMILES Cc1cc(ccc1-c1ccc(cc1C)\N=N\c1cc(c2ccccc2c1N)S([O-])(=O)=O)\N=N\c1cc(c2ccccc2c1N)S(O)(=O)=O
Show InChI InChI=1S/C34H28N6O6S2/c1-19-15-21(37-39-29-17-31(47(41,42)43)25-7-3-5-9-27(25)33(29)35)11-13-23(19)24-14-12-22(16-20(24)2)38-40-30-18-32(48(44,45)46)26-8-4-6-10-28(26)34(30)36/h3-18H,35-36H2,1-2H3,(H,41,42,43)(H,44,45,46)/p-1/b39-37+,40-38+
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Assay Description
The binding of SPI-01 to the enzyme-substrate complex was investigated. CSP analysis was carried out on the 40 kDa complex of 15N-labeled full length...


US Patent US9791447 (2017)

More data for this
Ligand-Target Pair
Sentrin-specific protease 2 (SENP2)


(Homo sapiens (Human))
BDBM103835
PNG
(SPI-10 | US9791447, Compound SPI-10)
Show SMILES Nc1ccc(\N=N\c2cccc(c2)S([O-])(=O)=O)c2ccccc12
Show InChI InChI=1S/C16H13N3O3S/c17-15-8-9-16(14-7-2-1-6-13(14)15)19-18-11-4-3-5-12(10-11)23(20,21)22/h1-10H,17H2,(H,20,21,22)/p-1/b19-18+
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Assay Description
The binding of SPI-01 to the enzyme-substrate complex was investigated. CSP analysis was carried out on the 40 kDa complex of 15N-labeled full length...


US Patent US9791447 (2017)

More data for this
Ligand-Target Pair
Sentrin-specific protease 7 (SENP7)


(Homo sapiens (Human))
BDBM103827
PNG
(SPI-02 | US9791447, Compound SPI-02)
Show SMILES Cc1cc(ccc1\N=N\c1c(N)ccc2cc(ccc12)S(O)(=O)=O)-c1ccc(\N=N\c2c(N)c(cc3cc(ccc23)S(O)(=O)=O)S(O)(=O)=O)c(C)c1
Show InChI InChI=1S/C34H28N6O9S3/c1-18-13-20(4-11-29(18)37-39-33-26-8-6-24(50(41,42)43)15-22(26)3-10-28(33)35)21-5-12-30(19(2)14-21)38-40-34-27-9-7-25(51(44,45)46)16-23(27)17-31(32(34)36)52(47,48)49/h3-17H,35-36H2,1-2H3,(H,41,42,43)(H,44,45,46)(H,47,48,49)/b39-37+,40-38+
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Assay Description
The binding of SPI-01 to the enzyme-substrate complex was investigated. CSP analysis was carried out on the 40 kDa complex of 15N-labeled full length...


US Patent US9791447 (2017)

More data for this
Ligand-Target Pair
Sentrin-specific protease 7 (SENP7)


(Homo sapiens (Human))
BDBM103833
PNG
(SPI-08 | US9791447, Compound SPI-08)
Show SMILES Nc1c(cc(c2ccccc12)S([O-])(=O)=O)\N=N\c1ccccc1
Show InChI InChI=1S/C16H13N3O3S/c17-16-13-9-5-4-8-12(13)15(23(20,21)22)10-14(16)19-18-11-6-2-1-3-7-11/h1-10H,17H2,(H,20,21,22)/p-1/b19-18+
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Assay Description
The binding of SPI-01 to the enzyme-substrate complex was investigated. CSP analysis was carried out on the 40 kDa complex of 15N-labeled full length...


US Patent US9791447 (2017)

More data for this
Ligand-Target Pair
Sentrin-specific protease 2 (SENP2)


(Homo sapiens (Human))
BDBM103826
PNG
(SPI-01 | US9791447, Compound SPI-01)
Show SMILES Nc1ccc2ccccc2c1\N=N\c1ccc(\C=C\c2ccc(cc2S(O)(=O)=O)\N=N\c2c(N)ccc3ccccc23)c(c1)S(O)(=O)=O
Show InChI InChI=1S/C34H26N6O6S2/c35-29-17-13-21-5-1-3-7-27(21)33(29)39-37-25-15-11-23(31(19-25)47(41,42)43)9-10-24-12-16-26(20-32(24)48(44,45)46)38-40-34-28-8-4-2-6-22(28)14-18-30(34)36/h1-20H,35-36H2,(H,41,42,43)(H,44,45,46)/b10-9+,39-37+,40-38+
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Assay Description
The binding of SPI-01 to the enzyme-substrate complex was investigated. CSP analysis was carried out on the 40 kDa complex of 15N-labeled full length...


US Patent US9791447 (2017)

More data for this
Ligand-Target Pair
Sentrin-specific protease 7 (SENP7)


(Homo sapiens (Human))
BDBM103829
PNG
(SPI-04 | US9791447, Compound SPI-04)
Show SMILES Nc1ccc(\N=N\c2ccc(\C=C\c3ccc(cc3S(O)(=O)=O)\N=N\c3ccc(N)c4ccc(cc34)S([O-])(=O)=O)c(c2)S(O)(=O)=O)c2cc(ccc12)S(O)(=O)=O
Show InChI InChI=1S/C34H26N6O12S4/c35-29-11-13-31(27-17-23(53(41,42)43)7-9-25(27)29)39-37-21-5-3-19(33(15-21)55(47,48)49)1-2-20-4-6-22(16-34(20)56(50,51)52)38-40-32-14-12-30(36)26-10-8-24(18-28(26)32)54(44,45)46/h1-18H,35-36H2,(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,50,51,52)/p-1/b2-1+,39-37+,40-38+
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Assay Description
The binding of SPI-01 to the enzyme-substrate complex was investigated. CSP analysis was carried out on the 40 kDa complex of 15N-labeled full length...


US Patent US9791447 (2017)

More data for this
Ligand-Target Pair
Sentrin-specific protease 7 (SENP7)


(Homo sapiens (Human))
BDBM103826
PNG
(SPI-01 | US9791447, Compound SPI-01)
Show SMILES Nc1ccc2ccccc2c1\N=N\c1ccc(\C=C\c2ccc(cc2S(O)(=O)=O)\N=N\c2c(N)ccc3ccccc23)c(c1)S(O)(=O)=O
Show InChI InChI=1S/C34H26N6O6S2/c35-29-17-13-21-5-1-3-7-27(21)33(29)39-37-25-15-11-23(31(19-25)47(41,42)43)9-10-24-12-16-26(20-32(24)48(44,45)46)38-40-34-28-8-4-2-6-22(28)14-18-30(34)36/h1-20H,35-36H2,(H,41,42,43)(H,44,45,46)/b10-9+,39-37+,40-38+
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Assay Description
The binding of SPI-01 to the enzyme-substrate complex was investigated. CSP analysis was carried out on the 40 kDa complex of 15N-labeled full length...


US Patent US9791447 (2017)

More data for this
Ligand-Target Pair
Sentrin-specific protease 2 (SENP2)


(Homo sapiens (Human))
BDBM348888
PNG
(NSC70551 | US9791447, Compound SPI-06)
Show SMILES Cc1ccccc1\N=N\c1cc(c2ccccc2c1N)S([O-])(=O)=O
Show InChI InChI=1S/C17H15N3O3S/c1-11-6-2-5-9-14(11)19-20-15-10-16(24(21,22)23)12-7-3-4-8-13(12)17(15)18/h2-10H,18H2,1H3,(H,21,22,23)/p-1/b20-19+
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US Patent


Assay Description
The binding of SPI-01 to the enzyme-substrate complex was investigated. CSP analysis was carried out on the 40 kDa complex of 15N-labeled full length...


US Patent US9791447 (2017)

More data for this
Ligand-Target Pair
Sentrin-specific protease 1 (SENP1)


(Homo sapiens (Human))
BDBM348885
PNG
(NSC8676 | US9791447, Compound SPI-03)
Show SMILES Cc1cc(ccc1-c1ccc(cc1C)\N=N\c1cc(c2ccccc2c1N)S([O-])(=O)=O)\N=N\c1cc(c2ccccc2c1N)S(O)(=O)=O
Show InChI InChI=1S/C34H28N6O6S2/c1-19-15-21(37-39-29-17-31(47(41,42)43)25-7-3-5-9-27(25)33(29)35)11-13-23(19)24-14-12-22(16-20(24)2)38-40-30-18-32(48(44,45)46)26-8-4-6-10-28(26)34(30)36/h3-18H,35-36H2,1-2H3,(H,41,42,43)(H,44,45,46)/p-1/b39-37+,40-38+
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US Patent


Assay Description
The binding of SPI-01 to the enzyme-substrate complex was investigated. CSP analysis was carried out on the 40 kDa complex of 15N-labeled full length...


US Patent US9791447 (2017)

More data for this
Ligand-Target Pair
Sentrin-specific protease 1 (SENP1)


(Homo sapiens (Human))
BDBM348888
PNG
(NSC70551 | US9791447, Compound SPI-06)
Show SMILES Cc1ccccc1\N=N\c1cc(c2ccccc2c1N)S([O-])(=O)=O
Show InChI InChI=1S/C17H15N3O3S/c1-11-6-2-5-9-14(11)19-20-15-10-16(24(21,22)23)12-7-3-4-8-13(12)17(15)18/h2-10H,18H2,1H3,(H,21,22,23)/p-1/b20-19+
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US Patent


Assay Description
The binding of SPI-01 to the enzyme-substrate complex was investigated. CSP analysis was carried out on the 40 kDa complex of 15N-labeled full length...


US Patent US9791447 (2017)

More data for this
Ligand-Target Pair
Sentrin-specific protease 7 (SENP7)


(Homo sapiens (Human))
BDBM103830
PNG
(SPI-05 | US9791447, Compound SPI-05)
Show SMILES Nc1ccc(\N=N\c2ccc(\C=C\c3ccc(cc3S(O)(=O)=O)\N=N\c3ccc(N)c4ccccc34)c(c2)S(O)(=O)=O)c2ccccc12
Show InChI InChI=1S/C34H26N6O6S2/c35-29-15-17-31(27-7-3-1-5-25(27)29)39-37-23-13-11-21(33(19-23)47(41,42)43)9-10-22-12-14-24(20-34(22)48(44,45)46)38-40-32-18-16-30(36)26-6-2-4-8-28(26)32/h1-20H,35-36H2,(H,41,42,43)(H,44,45,46)/b10-9+,39-37+,40-38+
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n/an/a 4.60E+3n/an/an/an/an/an/a



City of Hope

US Patent


Assay Description
The binding of SPI-01 to the enzyme-substrate complex was investigated. CSP analysis was carried out on the 40 kDa complex of 15N-labeled full length...


US Patent US9791447 (2017)

More data for this
Ligand-Target Pair
Sentrin-specific protease 7 (SENP7)


(Homo sapiens (Human))
BDBM348888
PNG
(NSC70551 | US9791447, Compound SPI-06)
Show SMILES Cc1ccccc1\N=N\c1cc(c2ccccc2c1N)S([O-])(=O)=O
Show InChI InChI=1S/C17H15N3O3S/c1-11-6-2-5-9-14(11)19-20-15-10-16(24(21,22)23)12-7-3-4-8-13(12)17(15)18/h2-10H,18H2,1H3,(H,21,22,23)/p-1/b20-19+
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n/an/a 4.70E+3n/an/an/an/an/an/a



City of Hope

US Patent


Assay Description
The binding of SPI-01 to the enzyme-substrate complex was investigated. CSP analysis was carried out on the 40 kDa complex of 15N-labeled full length...


US Patent US9791447 (2017)

More data for this
Ligand-Target Pair
Sentrin-specific protease 7 (SENP7)


(Homo sapiens (Human))
BDBM348885
PNG
(NSC8676 | US9791447, Compound SPI-03)
Show SMILES Cc1cc(ccc1-c1ccc(cc1C)\N=N\c1cc(c2ccccc2c1N)S([O-])(=O)=O)\N=N\c1cc(c2ccccc2c1N)S(O)(=O)=O
Show InChI InChI=1S/C34H28N6O6S2/c1-19-15-21(37-39-29-17-31(47(41,42)43)25-7-3-5-9-27(25)33(29)35)11-13-23(19)24-14-12-22(16-20(24)2)38-40-30-18-32(48(44,45)46)26-8-4-6-10-28(26)34(30)36/h3-18H,35-36H2,1-2H3,(H,41,42,43)(H,44,45,46)/p-1/b39-37+,40-38+
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n/an/a 4.80E+3n/an/an/an/an/an/a



City of Hope

US Patent


Assay Description
The binding of SPI-01 to the enzyme-substrate complex was investigated. CSP analysis was carried out on the 40 kDa complex of 15N-labeled full length...


US Patent US9791447 (2017)

More data for this
Ligand-Target Pair
Sentrin-specific protease 1 (SENP1)


(Homo sapiens (Human))
BDBM103826
PNG
(SPI-01 | US9791447, Compound SPI-01)
Show SMILES Nc1ccc2ccccc2c1\N=N\c1ccc(\C=C\c2ccc(cc2S(O)(=O)=O)\N=N\c2c(N)ccc3ccccc23)c(c1)S(O)(=O)=O
Show InChI InChI=1S/C34H26N6O6S2/c35-29-17-13-21-5-1-3-7-27(21)33(29)39-37-25-15-11-23(31(19-25)47(41,42)43)9-10-24-12-16-26(20-32(24)48(44,45)46)38-40-34-28-8-4-2-6-22(28)14-18-30(34)36/h1-20H,35-36H2,(H,41,42,43)(H,44,45,46)/b10-9+,39-37+,40-38+
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n/an/a 5.90E+3n/an/an/an/an/an/a



City of Hope

US Patent


Assay Description
The binding of SPI-01 to the enzyme-substrate complex was investigated. CSP analysis was carried out on the 40 kDa complex of 15N-labeled full length...


US Patent US9791447 (2017)

More data for this
Ligand-Target Pair
Sentrin-specific protease 2 (SENP2)


(Homo sapiens (Human))
BDBM103834
PNG
(SPI-09 | US9791447, Compound SPI-09)
Show SMILES Nc1ccc2cc(cc(c2c1\N=N\c1ccc(cc1)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O
Show InChI InChI=1S/C16H13N3O9S3/c17-13-6-1-9-7-12(30(23,24)25)8-14(31(26,27)28)15(9)16(13)19-18-10-2-4-11(5-3-10)29(20,21)22/h1-8H,17H2,(H,20,21,22)(H,23,24,25)(H,26,27,28)/b19-18+
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n/an/a 6.80E+3n/an/an/an/an/an/a



City of Hope

US Patent


Assay Description
The binding of SPI-01 to the enzyme-substrate complex was investigated. CSP analysis was carried out on the 40 kDa complex of 15N-labeled full length...


US Patent US9791447 (2017)

More data for this
Ligand-Target Pair
Sentrin-specific protease 2 (SENP2)


(Homo sapiens (Human))
BDBM103830
PNG
(SPI-05 | US9791447, Compound SPI-05)
Show SMILES Nc1ccc(\N=N\c2ccc(\C=C\c3ccc(cc3S(O)(=O)=O)\N=N\c3ccc(N)c4ccccc34)c(c2)S(O)(=O)=O)c2ccccc12
Show InChI InChI=1S/C34H26N6O6S2/c35-29-15-17-31(27-7-3-1-5-25(27)29)39-37-23-13-11-21(33(19-23)47(41,42)43)9-10-22-12-14-24(20-34(22)48(44,45)46)38-40-32-18-16-30(36)26-6-2-4-8-28(26)32/h1-20H,35-36H2,(H,41,42,43)(H,44,45,46)/b10-9+,39-37+,40-38+
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n/an/a 8.50E+3n/an/an/an/an/an/a



City of Hope

US Patent


Assay Description
The binding of SPI-01 to the enzyme-substrate complex was investigated. CSP analysis was carried out on the 40 kDa complex of 15N-labeled full length...


US Patent US9791447 (2017)

More data for this
Ligand-Target Pair
Sentrin-specific protease 1 (SENP1)


(Homo sapiens (Human))
BDBM103830
PNG
(SPI-05 | US9791447, Compound SPI-05)
Show SMILES Nc1ccc(\N=N\c2ccc(\C=C\c3ccc(cc3S(O)(=O)=O)\N=N\c3ccc(N)c4ccccc34)c(c2)S(O)(=O)=O)c2ccccc12
Show InChI InChI=1S/C34H26N6O6S2/c35-29-15-17-31(27-7-3-1-5-25(27)29)39-37-23-13-11-21(33(19-23)47(41,42)43)9-10-22-12-14-24(20-34(22)48(44,45)46)38-40-32-18-16-30(36)26-6-2-4-8-28(26)32/h1-20H,35-36H2,(H,41,42,43)(H,44,45,46)/b10-9+,39-37+,40-38+
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n/an/a 1.33E+4n/an/an/an/an/an/a



City of Hope

US Patent


Assay Description
The binding of SPI-01 to the enzyme-substrate complex was investigated. CSP analysis was carried out on the 40 kDa complex of 15N-labeled full length...


US Patent US9791447 (2017)

More data for this
Ligand-Target Pair
Sentrin-specific protease 2 (SENP2)


(Homo sapiens (Human))
BDBM103833
PNG
(SPI-08 | US9791447, Compound SPI-08)
Show SMILES Nc1c(cc(c2ccccc12)S([O-])(=O)=O)\N=N\c1ccccc1
Show InChI InChI=1S/C16H13N3O3S/c17-16-13-9-5-4-8-12(13)15(23(20,21)22)10-14(16)19-18-11-6-2-1-3-7-11/h1-10H,17H2,(H,20,21,22)/p-1/b19-18+
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n/an/a 1.72E+4n/an/an/an/an/an/a



City of Hope

US Patent


Assay Description
The binding of SPI-01 to the enzyme-substrate complex was investigated. CSP analysis was carried out on the 40 kDa complex of 15N-labeled full length...


US Patent US9791447 (2017)

More data for this
Ligand-Target Pair
Sentrin-specific protease 1 (SENP1)


(Homo sapiens (Human))
BDBM103833
PNG
(SPI-08 | US9791447, Compound SPI-08)
Show SMILES Nc1c(cc(c2ccccc12)S([O-])(=O)=O)\N=N\c1ccccc1
Show InChI InChI=1S/C16H13N3O3S/c17-16-13-9-5-4-8-12(13)15(23(20,21)22)10-14(16)19-18-11-6-2-1-3-7-11/h1-10H,17H2,(H,20,21,22)/p-1/b19-18+
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n/an/a 2.22E+4n/an/an/an/an/an/a



City of Hope

US Patent


Assay Description
The binding of SPI-01 to the enzyme-substrate complex was investigated. CSP analysis was carried out on the 40 kDa complex of 15N-labeled full length...


US Patent US9791447 (2017)

More data for this
Ligand-Target Pair
Sentrin-specific protease 1 (SENP1)


(Homo sapiens (Human))
BDBM103834
PNG
(SPI-09 | US9791447, Compound SPI-09)
Show SMILES Nc1ccc2cc(cc(c2c1\N=N\c1ccc(cc1)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O
Show InChI InChI=1S/C16H13N3O9S3/c17-13-6-1-9-7-12(30(23,24)25)8-14(31(26,27)28)15(9)16(13)19-18-10-2-4-11(5-3-10)29(20,21)22/h1-8H,17H2,(H,20,21,22)(H,23,24,25)(H,26,27,28)/b19-18+
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n/an/a>6.00E+4n/an/an/an/an/an/a



City of Hope

US Patent


Assay Description
The binding of SPI-01 to the enzyme-substrate complex was investigated. CSP analysis was carried out on the 40 kDa complex of 15N-labeled full length...


US Patent US9791447 (2017)

More data for this
Ligand-Target Pair
Sentrin-specific protease 2 (SENP2)


(Homo sapiens (Human))
BDBM348889
PNG
(NSC58046 | US9791447, Compound SPI-07)
Show SMILES Cc1cc(N)ccc1\N=N\c1cc(c2cccc(c2c1)S([O-])(=O)=O)S(O)(=O)=O
Show InChI InChI=1S/C17H15N3O6S2/c1-10-7-11(18)5-6-15(10)20-19-12-8-14-13(17(9-12)28(24,25)26)3-2-4-16(14)27(21,22)23/h2-9H,18H2,1H3,(H,21,22,23)(H,24,25,26)/p-1/b20-19+
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City of Hope

US Patent


Assay Description
The binding of SPI-01 to the enzyme-substrate complex was investigated. CSP analysis was carried out on the 40 kDa complex of 15N-labeled full length...


US Patent US9791447 (2017)

More data for this
Ligand-Target Pair
Sentrin-specific protease 1 (SENP1)


(Homo sapiens (Human))
BDBM348889
PNG
(NSC58046 | US9791447, Compound SPI-07)
Show SMILES Cc1cc(N)ccc1\N=N\c1cc(c2cccc(c2c1)S([O-])(=O)=O)S(O)(=O)=O
Show InChI InChI=1S/C17H15N3O6S2/c1-10-7-11(18)5-6-15(10)20-19-12-8-14-13(17(9-12)28(24,25)26)3-2-4-16(14)27(21,22)23/h2-9H,18H2,1H3,(H,21,22,23)(H,24,25,26)/p-1/b20-19+
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City of Hope

US Patent


Assay Description
The binding of SPI-01 to the enzyme-substrate complex was investigated. CSP analysis was carried out on the 40 kDa complex of 15N-labeled full length...


US Patent US9791447 (2017)

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