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Compile Data Set for Download or QSAR

Found 406 hits Enz. Inhib. hit(s) with Target = 'Sentrin-specific protease 1 (SENP1)' AND taxid = 9606   
Target
(Institution)
LigandTarget
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 1


(Homo sapiens (Human))
BDBM46568
PNG
((2Z)-7-chloranyl-2-[(2E)-1-chloranyl-2-(3-chlorany...)
Show SMILES Oc1ccc(Cl)cc1C=C(Cl)c1nc2cc(Cl)ccc2c(=O)[nH]1
Show InChI InChI=1S/C16H9Cl3N2O2/c17-9-2-4-14(22)8(5-9)6-12(19)15-20-13-7-10(18)1-3-11(13)16(23)21-15/h1-7,22H,(H,20,21,23)
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n/an/a 428n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
sentrin-specific protease 1


(Homo sapiens (Human))
BDBM46568
PNG
((2Z)-7-chloranyl-2-[(2E)-1-chloranyl-2-(3-chlorany...)
Show SMILES Oc1ccc(Cl)cc1C=C(Cl)c1nc2cc(Cl)ccc2c(=O)[nH]1
Show InChI InChI=1S/C16H9Cl3N2O2/c17-9-2-4-14(22)8(5-9)6-12(19)15-20-13-7-10(18)1-3-11(13)16(23)21-15/h1-7,22H,(H,20,21,23)
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n/an/a 654n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
sentrin-specific protease 1


(Homo sapiens (Human))
BDBM94843
PNG
((5R)-5-(1,3-benzodioxol-5-yl)-3-(3-chloranyl-2-oxi...)
Show SMILES Oc1c(Cl)cccc1C1=CC(=O)C[C@@H](C1)c1ccc2OCOc2c1
Show InChI InChI=1S/C19H15ClO4/c20-16-3-1-2-15(19(16)22)13-6-12(7-14(21)8-13)11-4-5-17-18(9-11)24-10-23-17/h1-5,8-9,12,22H,6-7,10H2/t12-/m1/s1
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n/an/a 993n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
sentrin-specific protease 1


(Homo sapiens (Human))
BDBM94870
PNG
((2Z)-2-(1-cyclopentyl-2H-1,2,3,4-tetrazol-5-yliden...)
Show SMILES O=c1[nH]c2cc3ccccc3cc2nc1-c1nnnn1C1CCCC1
Show InChI InChI=1S/C18H16N6O/c25-18-16(17-21-22-23-24(17)13-7-3-4-8-13)19-14-9-11-5-1-2-6-12(11)10-15(14)20-18/h1-2,5-6,9-10,13H,3-4,7-8H2,(H,20,25)
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n/an/a 1.05E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

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


(Homo sapiens (Human))
BDBM50394464
PNG
(CHEMBL2159857)
Show SMILES Clc1ccc(cc1)C(=O)COC(=O)c1ccc(NC(=O)c2cccc(OCc3ccccc3)c2)cc1
Show InChI InChI=1S/C29H22ClNO5/c30-24-13-9-21(10-14-24)27(32)19-36-29(34)22-11-15-25(16-12-22)31-28(33)23-7-4-8-26(17-23)35-18-20-5-2-1-3-6-20/h1-17H,18-19H2,(H,31,33)
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n/an/a 1.08E+3n/an/an/an/an/an/a



Shanghai Jiao-Tong University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged SENP1 catalytic domain expressed in Escherihcia coli BL21(DE3) using His-tagged deltaRanGAP-SUMO2 as substrate i...


Citation and Details
More data for this
Ligand-Target Pair
sentrin-specific protease 1


(Homo sapiens (Human))
BDBM94847
PNG
((5R)-3-(3-chloranyl-2-oxidanyl-phenyl)-5-(4-fluoro...)
Show SMILES Oc1c(Cl)cccc1C1=CC(=O)C[C@@H](C1)c1ccc(F)cc1
Show InChI InChI=1S/C18H14ClFO2/c19-17-3-1-2-16(18(17)22)13-8-12(9-15(21)10-13)11-4-6-14(20)7-5-11/h1-7,10,12,22H,8-9H2/t12-/m1/s1
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n/an/a 1.14E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
sentrin-specific protease 1


(Homo sapiens (Human))
BDBM94846
PNG
((5R)-3-(3-chloranyl-2-oxidanyl-phenyl)-5-(4-chloro...)
Show SMILES Oc1c(Cl)cccc1C1=CC(=O)C[C@@H](C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H14Cl2O2/c19-14-6-4-11(5-7-14)12-8-13(10-15(21)9-12)16-2-1-3-17(20)18(16)22/h1-7,10,12,22H,8-9H2/t12-/m1/s1
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n/an/a 1.15E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

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


(Homo sapiens (Human))
BDBM50394465
PNG
(CHEMBL2159858)
Show SMILES Clc1ccc(cc1)C(=O)COC(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1
Show InChI InChI=1S/C22H15BrClNO4/c23-17-3-1-2-16(12-17)21(27)25-19-10-6-15(7-11-19)22(28)29-13-20(26)14-4-8-18(24)9-5-14/h1-12H,13H2,(H,25,27)
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n/an/a 1.18E+3n/an/an/an/an/an/a



Shanghai Jiao-Tong University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged SENP1 catalytic domain expressed in Escherihcia coli BL21(DE3) using His-tagged deltaRanGAP-SUMO2 as substrate i...


Citation and Details
More data for this
Ligand-Target Pair
sentrin-specific protease 1


(Homo sapiens (Human))
BDBM75839
PNG
((5Z)-2-anilino-5-(5-bromo-3-ethoxy-2-hydroxy-benzy...)
Show SMILES CCOc1cc(Br)cc(C=C2SC(Nc3ccccc3)=NC2=O)c1O
Show InChI InChI=1S/C18H15BrN2O3S/c1-2-24-14-10-12(19)8-11(16(14)22)9-15-17(23)21-18(25-15)20-13-6-4-3-5-7-13/h3-10,22H,2H2,1H3,(H,20,21,23)
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n/an/a 1.18E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
sentrin-specific protease 1


(Homo sapiens (Human))
BDBM94869
PNG
((2Z)-2-(1-amyl-2H-tetrazol-5-ylidene)benzo[g]quino...)
Show SMILES CCCCCn1nnnc1-c1nc2cc3ccccc3cc2[nH]c1=O
Show InChI InChI=1S/C18H18N6O/c1-2-3-6-9-24-17(21-22-23-24)16-18(25)20-15-11-13-8-5-4-7-12(13)10-14(15)19-16/h4-5,7-8,10-11H,2-3,6,9H2,1H3,(H,20,25)
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n/an/a 1.29E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

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


(Homo sapiens (Human))
BDBM50394468
PNG
(CHEMBL2159859)
Show SMILES Fc1cccc(c1)C(=O)Nc1ccc(cc1)C(=O)OCC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H15ClFNO4/c23-17-8-4-14(5-9-17)20(26)13-29-22(28)15-6-10-19(11-7-15)25-21(27)16-2-1-3-18(24)12-16/h1-12H,13H2,(H,25,27)
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n/an/a 1.74E+3n/an/an/an/an/an/a



Shanghai Jiao-Tong University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged SENP1 catalytic domain expressed in Escherihcia coli BL21(DE3) using His-tagged deltaRanGAP-SUMO2 as substrate i...


Citation and Details
More data for this
Ligand-Target Pair
sentrin-specific protease 1


(Homo sapiens (Human))
BDBM94810
PNG
(6-chloranyl-2-oxidanylidene-N-(1,3-thiazol-2-yl)ch...)
Show SMILES Clc1ccc2oc(=O)c(cc2c1)C(=O)Nc1nccs1
Show InChI InChI=1S/C13H7ClN2O3S/c14-8-1-2-10-7(5-8)6-9(12(18)19-10)11(17)16-13-15-3-4-20-13/h1-6H,(H,15,16,17)
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n/an/a 1.84E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

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


(Homo sapiens (Human))
BDBM50394466
PNG
(CHEMBL2159862)
Show SMILES [O-][N+](=O)c1cccc(c1)C(=O)Nc1ccc(cc1)C(=O)OCC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H15ClN2O6/c23-17-8-4-14(5-9-17)20(26)13-31-22(28)15-6-10-18(11-7-15)24-21(27)16-2-1-3-19(12-16)25(29)30/h1-12H,13H2,(H,24,27)
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n/an/a 1.86E+3n/an/an/an/an/an/a



Shanghai Jiao-Tong University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged SENP1 catalytic domain expressed in Escherihcia coli BL21(DE3) using His-tagged deltaRanGAP-SUMO2 as substrate i...


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


(Homo sapiens (Human))
BDBM103828
PNG
(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)/b39-37+,40-38+
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n/an/a 1.86E+3n/an/an/an/a7.4n/a



Beckman Research Institute of the City of Hope



Assay Description
Assays were performedby incubating SENPs with various concentrations of the inhibitor (0−60 μM) at RT for 10 min in assay buffer (50 mM Tr...


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


(Homo sapiens (Human))
BDBM103826
PNG
(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 1.88E+3n/an/an/an/a7.4n/a



Beckman Research Institute of the City of Hope



Assay Description
Assays were performedby incubating SENPs with various concentrations of the inhibitor (0−60 μM) at RT for 10 min in assay buffer (50 mM Tr...


Citation and Details
More data for this
Ligand-Target Pair
sentrin-specific protease 1


(Homo sapiens (Human))
BDBM94872
PNG
((2E)-2-[1-(2,6-dimethylphenyl)-2H-1,2,3,4-tetrazol...)
Show SMILES Cc1cccc(C)c1-n1nnnc1-c1nc2cc3ccccc3cc2[nH]c1=O
Show InChI InChI=1S/C21H16N6O/c1-12-6-5-7-13(2)19(12)27-20(24-25-26-27)18-21(28)23-17-11-15-9-4-3-8-14(15)10-16(17)22-18/h3-11H,1-2H3,(H,23,28)
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n/an/a 1.93E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
sentrin-specific protease 1


(Homo sapiens (Human))
BDBM94843
PNG
((5R)-5-(1,3-benzodioxol-5-yl)-3-(3-chloranyl-2-oxi...)
Show SMILES Oc1c(Cl)cccc1C1=CC(=O)C[C@@H](C1)c1ccc2OCOc2c1
Show InChI InChI=1S/C19H15ClO4/c20-16-3-1-2-15(19(16)22)13-6-12(7-14(21)8-13)11-4-5-17-18(9-11)24-10-23-17/h1-5,8-9,12,22H,6-7,10H2/t12-/m1/s1
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n/an/a 1.93E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

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


(Homo sapiens (Human))
BDBM103827
PNG
(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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n/an/a 2.08E+3n/an/an/an/a7.4n/a



Beckman Research Institute of the City of Hope



Assay Description
Assays were performedby incubating SENPs with various concentrations of the inhibitor (0−60 μM) at RT for 10 min in assay buffer (50 mM Tr...


Citation and Details
More data for this
Ligand-Target Pair
sentrin-specific protease 1


(Homo sapiens (Human))
BDBM94870
PNG
((2Z)-2-(1-cyclopentyl-2H-1,2,3,4-tetrazol-5-yliden...)
Show SMILES O=c1[nH]c2cc3ccccc3cc2nc1-c1nnnn1C1CCCC1
Show InChI InChI=1S/C18H16N6O/c25-18-16(17-21-22-23-24(17)13-7-3-4-8-13)19-14-9-11-5-1-2-6-12(11)10-15(14)20-18/h1-2,5-6,9-10,13H,3-4,7-8H2,(H,20,25)
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n/an/a 2.21E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
sentrin-specific protease 1


(Homo sapiens (Human))
BDBM49568
PNG
(4-chloro-2-[2-(2-quinolinyl)vinyl]phenyl acetate |...)
Show SMILES CC(=O)Oc1ccc(Cl)cc1\C=C\c1ccc2ccccc2n1
Show InChI InChI=1S/C19H14ClNO2/c1-13(22)23-19-11-8-16(20)12-15(19)7-10-17-9-6-14-4-2-3-5-18(14)21-17/h2-12H,1H3/b10-7+
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n/an/a 2.22E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

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


(Homo sapiens (Human))
BDBM103829
PNG
(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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n/an/a 2.32E+3n/an/an/an/a7.4n/a



Beckman Research Institute of the City of Hope



Assay Description
Assays were performedby incubating SENPs with various concentrations of the inhibitor (0−60 μM) at RT for 10 min in assay buffer (50 mM Tr...


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


(Homo sapiens (Human))
BDBM50394467
PNG
(CHEMBL2159861)
Show SMILES COc1cccc(c1)C(=O)Nc1ccc(cc1)C(=O)OCC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H18ClNO5/c1-29-20-4-2-3-17(13-20)22(27)25-19-11-7-16(8-12-19)23(28)30-14-21(26)15-5-9-18(24)10-6-15/h2-13H,14H2,1H3,(H,25,27)
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n/an/a 2.39E+3n/an/an/an/an/an/a



Shanghai Jiao-Tong University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged SENP1 catalytic domain expressed in Escherihcia coli BL21(DE3) using His-tagged deltaRanGAP-SUMO2 as substrate i...


Citation and Details
More data for this
Ligand-Target Pair
sentrin-specific protease 1


(Homo sapiens (Human))
BDBM65599
PNG
(MLS001215303 | N-[(5Z)-5-(3-ethoxy-4-hydroxy-benzy...)
Show SMILES CCOc1cc(\C=C2/SC(=S)N(NS(=O)(=O)c3ccccc3)C2=O)ccc1O
Show InChI InChI=1S/C18H16N2O5S3/c1-2-25-15-10-12(8-9-14(15)21)11-16-17(22)20(18(26)27-16)19-28(23,24)13-6-4-3-5-7-13/h3-11,19,21H,2H2,1H3/b16-11-
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n/an/a 2.41E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
sentrin-specific protease 1


(Homo sapiens (Human))
BDBM94827
PNG
(2-Imino-6-nitro-2H-chromene-3-carboxylic acid benz...)
Show SMILES [O-][N+](=O)c1ccc2oc(=N)c(cc2c1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C17H13N3O4/c18-16-14(17(21)19-10-11-4-2-1-3-5-11)9-12-8-13(20(22)23)6-7-15(12)24-16/h1-9,18H,10H2,(H,19,21)
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n/an/a 2.45E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
sentrin-specific protease 1


(Homo sapiens (Human))
BDBM88965
PNG
(1-[(5Z)-4-keto-5-vanillylidene-2-thiazolin-2-yl]ni...)
Show SMILES CCOC(=O)C1CCCN(C1)C1=NC(=O)\C(S1)=C\c1ccc(O)c(OC)c1
Show InChI InChI=1S/C19H22N2O5S/c1-3-26-18(24)13-5-4-8-21(11-13)19-20-17(23)16(27-19)10-12-6-7-14(22)15(9-12)25-2/h6-7,9-10,13,22H,3-5,8,11H2,1-2H3/b16-10-
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n/an/a 2.49E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
sentrin-specific protease 1


(Homo sapiens (Human))
BDBM50184295
PNG
((Z)-5-(5-bromo-2-hydroxybenzylidene)-2-thioxothiaz...)
Show SMILES Oc1ccc(Br)cc1C=C1SC(S)=NC1=O
Show InChI InChI=1S/C10H6BrNO2S2/c11-6-1-2-7(13)5(3-6)4-8-9(14)12-10(15)16-8/h1-4,13H,(H,12,14,15)
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n/an/a 2.57E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
sentrin-specific protease 1


(Homo sapiens (Human))
BDBM57349
PNG
((3-Amino-6-isopropyl-thieno[2,3-b]quinolin-2-yl)-(...)
Show SMILES CC(C)c1ccc2nc3sc(C(=O)N4CCc5ccccc5C4)c(N)c3cc2c1
Show InChI InChI=1S/C24H23N3OS/c1-14(2)16-7-8-20-18(11-16)12-19-21(25)22(29-23(19)26-20)24(28)27-10-9-15-5-3-4-6-17(15)13-27/h3-8,11-12,14H,9-10,13,25H2,1-2H3
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n/an/a 2.58E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
sentrin-specific protease 1


(Homo sapiens (Human))
BDBM94847
PNG
((5R)-3-(3-chloranyl-2-oxidanyl-phenyl)-5-(4-fluoro...)
Show SMILES Oc1c(Cl)cccc1C1=CC(=O)C[C@@H](C1)c1ccc(F)cc1
Show InChI InChI=1S/C18H14ClFO2/c19-17-3-1-2-16(18(17)22)13-8-12(9-15(21)10-13)11-4-6-14(20)7-5-11/h1-7,10,12,22H,8-9H2/t12-/m1/s1
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n/an/a 2.61E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
sentrin-specific protease 1


(Homo sapiens (Human))
BDBM94846
PNG
((5R)-3-(3-chloranyl-2-oxidanyl-phenyl)-5-(4-chloro...)
Show SMILES Oc1c(Cl)cccc1C1=CC(=O)C[C@@H](C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H14Cl2O2/c19-14-6-4-11(5-7-14)12-8-13(10-15(21)9-12)16-2-1-3-17(20)18(16)22/h1-7,10,12,22H,8-9H2/t12-/m1/s1
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n/an/a 2.66E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
sentrin-specific protease 1


(Homo sapiens (Human))
BDBM32316
PNG
(MLS000704595 | SMR000231990 | cid_5774988 | ethyl ...)
Show SMILES CCOC(=O)c1c2-c3ccccc3C(=O)c3c(Cl)ccc([nH]c1=O)c23
Show InChI InChI=1S/C19H12ClNO4/c1-2-25-19(24)16-13-9-5-3-4-6-10(9)17(22)14-11(20)7-8-12(15(13)14)21-18(16)23/h3-8H,2H2,1H3,(H,21,23)
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n/an/a 2.75E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
sentrin-specific protease 1


(Homo sapiens (Human))
BDBM94831
PNG
(4-[(Z)-(3-bromanyl-5-methoxy-4-oxidanylidene-cyclo...)
Show SMILES COc1cc(C=C2CCCc3c2nc2ccccc2c3C(O)=O)cc(Br)c1O
Show InChI InChI=1S/C22H18BrNO4/c1-28-18-11-12(10-16(23)21(18)25)9-13-5-4-7-15-19(22(26)27)14-6-2-3-8-17(14)24-20(13)15/h2-3,6,8-11,25H,4-5,7H2,1H3,(H,26,27)
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n/an/a 2.85E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
sentrin-specific protease 1


(Homo sapiens (Human))
BDBM94861
PNG
(MLS002707326 | N-(3-chloranyl-9-hydroxyimino-7-nit...)
Show SMILES [O-][N+](=O)c1ccc2c(c1)[c-](N=[OH+])c1cc(NC(=O)C(F)(F)F)c(Cl)cc21
Show InChI InChI=1S/C15H6ClF3N3O4/c16-11-4-8-7-2-1-6(22(25)26)3-9(7)13(21-24)10(8)5-12(11)20-14(23)15(17,18)19/h1-5H,(H,20,23)/q-1/p+1
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n/an/a 2.89E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
sentrin-specific protease 1


(Homo sapiens (Human))
BDBM94830
PNG
(4-[(Z)-(3-chloranyl-5-methoxy-4-oxidanylidene-cycl...)
Show SMILES COc1cc(C=C2CCCc3c2nc2ccccc2c3C(O)=O)cc(Cl)c1O
Show InChI InChI=1S/C22H18ClNO4/c1-28-18-11-12(10-16(23)21(18)25)9-13-5-4-7-15-19(22(26)27)14-6-2-3-8-17(14)24-20(13)15/h2-3,6,8-11,25H,4-5,7H2,1H3,(H,26,27)
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n/an/a 2.96E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
sentrin-specific protease 1


(Homo sapiens (Human))
BDBM88965
PNG
(1-[(5Z)-4-keto-5-vanillylidene-2-thiazolin-2-yl]ni...)
Show SMILES CCOC(=O)C1CCCN(C1)C1=NC(=O)\C(S1)=C\c1ccc(O)c(OC)c1
Show InChI InChI=1S/C19H22N2O5S/c1-3-26-18(24)13-5-4-8-21(11-13)19-20-17(23)16(27-19)10-12-6-7-14(22)15(9-12)25-2/h6-7,9-10,13,22H,3-5,8,11H2,1-2H3/b16-10-
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n/an/a 2.97E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
sentrin-specific protease 1


(Homo sapiens (Human))
BDBM94856
PNG
(2-amino-7-nitro-9-fluorenone oxime | 2-amino-7-nit...)
Show SMILES Nc1ccc2c(c1)[c-](N=[OH+])c1cc(ccc21)[N+]([O-])=O
Show InChI InChI=1S/C13H8N3O3/c14-7-1-3-9-10-4-2-8(16(18)19)6-12(10)13(15-17)11(9)5-7/h1-6H,14H2/q-1/p+1
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n/an/a 3.12E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
sentrin-specific protease 1


(Homo sapiens (Human))
BDBM49568
PNG
(4-chloro-2-[2-(2-quinolinyl)vinyl]phenyl acetate |...)
Show SMILES CC(=O)Oc1ccc(Cl)cc1\C=C\c1ccc2ccccc2n1
Show InChI InChI=1S/C19H14ClNO2/c1-13(22)23-19-11-8-16(20)12-15(19)7-10-17-9-6-14-4-2-3-5-18(14)21-17/h2-12H,1H3/b10-7+
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n/an/a 3.28E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
sentrin-specific protease 1


(Homo sapiens (Human))
BDBM94803
PNG
(6-Bromo-2-oxo-2H-chromene-3-carbothioic acid amide...)
Show SMILES NC(=S)c1cc2cc(Br)ccc2oc1=O
Show InChI InChI=1S/C10H6BrNO2S/c11-6-1-2-8-5(3-6)4-7(9(12)15)10(13)14-8/h1-4H,(H2,12,15)
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n/an/a 3.31E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
sentrin-specific protease 1


(Homo sapiens (Human))
BDBM94810
PNG
(6-chloranyl-2-oxidanylidene-N-(1,3-thiazol-2-yl)ch...)
Show SMILES Clc1ccc2oc(=O)c(cc2c1)C(=O)Nc1nccs1
Show InChI InChI=1S/C13H7ClN2O3S/c14-8-1-2-10-7(5-8)6-9(12(18)19-10)11(17)16-13-15-3-4-20-13/h1-6H,(H,15,16,17)
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n/an/a 3.49E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

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


(Homo sapiens (Human))
BDBM50394469
PNG
(CHEMBL2159860)
Show SMILES Clc1ccc(cc1)C(=O)COC(=O)c1ccc(NC(=O)c2ccccc2)cc1
Show InChI InChI=1S/C22H16ClNO4/c23-18-10-6-15(7-11-18)20(25)14-28-22(27)17-8-12-19(13-9-17)24-21(26)16-4-2-1-3-5-16/h1-13H,14H2,(H,24,26)
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PubMed
n/an/a 3.54E+3n/an/an/an/an/an/a



Shanghai Jiao-Tong University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged SENP1 catalytic domain expressed in Escherihcia coli BL21(DE3) using His-tagged deltaRanGAP-SUMO2 as substrate i...


Citation and Details
More data for this
Ligand-Target Pair
sentrin-specific protease 1


(Homo sapiens (Human))
BDBM94808
PNG
((5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl) 2,4-bis...)
Show SMILES Cc1sc(nc1OC(=O)c1ccc(F)cc1F)-c1ccccn1
Show InChI InChI=1S/C16H10F2N2O2S/c1-9-14(20-15(23-9)13-4-2-3-7-19-13)22-16(21)11-6-5-10(17)8-12(11)18/h2-8H,1H3
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n/an/a 3.57E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

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


(Homo sapiens (Human))
BDBM81515
PNG
(VEA-499)
Show SMILES C[C@H](O)C(NC(=O)[C@H](CCC(N)=O)NC(=O)Cc1ccc(O)c(c1)N(=O)=O)C(=O)NCC(=O)NCC(=O)COC(=O)c1c2ccccc2cc2ccccc12
Show InChI InChI=1S/C37H38N6O12/c1-20(44)34(42-35(50)27(11-13-30(38)47)41-31(48)15-21-10-12-29(46)28(14-21)43(53)54)36(51)40-18-32(49)39-17-24(45)19-55-37(52)33-25-8-4-2-6-22(25)16-23-7-3-5-9-26(23)33/h2-10,12,14,16,20,27,34,44,46H,11,13,15,17-19H2,1H3,(H2,38,47)(H,39,49)(H,40,51)(H,41,48)(H,42,50)/t20-,27-,34?/m0/s1
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PubMed
n/an/a 3.60E+3n/an/an/an/a8.037



Stanford University



Assay Description
The fluorogenic substrate library screen was performed with hSENP1 in low salt tris buffer at final concentration of 2uM. Fluorophore release (AFC) ...


Citation and Details
More data for this
Ligand-Target Pair
sentrin-specific protease 1


(Homo sapiens (Human))
BDBM94829
PNG
(2-[(5E)-2,4-bis(oxidanylidene)-5-(2-oxidanylidene-...)
Show SMILES OC(=O)CN1C(=O)S\C(C1=O)=C1\C(=O)Nc2ccccc12
Show InChI InChI=1S/C13H8N2O5S/c16-8(17)5-15-12(19)10(21-13(15)20)9-6-3-1-2-4-7(6)14-11(9)18/h1-4H,5H2,(H,14,18)(H,16,17)/b10-9+
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n/an/a 3.70E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
sentrin-specific protease 1


(Homo sapiens (Human))
BDBM65599
PNG
(MLS001215303 | N-[(5Z)-5-(3-ethoxy-4-hydroxy-benzy...)
Show SMILES CCOc1cc(\C=C2/SC(=S)N(NS(=O)(=O)c3ccccc3)C2=O)ccc1O
Show InChI InChI=1S/C18H16N2O5S3/c1-2-25-15-10-12(8-9-14(15)21)11-16-17(22)20(18(26)27-16)19-28(23,24)13-6-4-3-5-7-13/h3-11,19,21H,2H2,1H3/b16-11-
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n/an/a 3.73E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
sentrin-specific protease 1


(Homo sapiens (Human))
BDBM94831
PNG
(4-[(Z)-(3-bromanyl-5-methoxy-4-oxidanylidene-cyclo...)
Show SMILES COc1cc(C=C2CCCc3c2nc2ccccc2c3C(O)=O)cc(Br)c1O
Show InChI InChI=1S/C22H18BrNO4/c1-28-18-11-12(10-16(23)21(18)25)9-13-5-4-7-15-19(22(26)27)14-6-2-3-8-17(14)24-20(13)15/h2-3,6,8-11,25H,4-5,7H2,1H3,(H,26,27)
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n/an/a 3.84E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
sentrin-specific protease 1


(Homo sapiens (Human))
BDBM83709
PNG
((2,4-dinitrophenyl)-methyl-(8-quinolylmethyleneami...)
Show SMILES CN(\N=C\c1cccc2cccnc12)c1ccc(cc1[N+]([O-])=O)[N+]([O-])=O
Show InChI InChI=1S/C17H13N5O4/c1-20(15-8-7-14(21(23)24)10-16(15)22(25)26)19-11-13-5-2-4-12-6-3-9-18-17(12)13/h2-11H,1H3/b19-11+
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n/an/a 4.08E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
sentrin-specific protease 1


(Homo sapiens (Human))
BDBM94779
PNG
(2-(2-allyloxyethyl)-4,7-diphenyl-3a,4,7,7a-tetrahy...)
Show SMILES C=CCOCCN1C(=O)C2C(C(C=CC2c2ccccc2)c2ccccc2)C1=O
Show InChI InChI=1S/C25H25NO3/c1-2-16-29-17-15-26-24(27)22-20(18-9-5-3-6-10-18)13-14-21(23(22)25(26)28)19-11-7-4-8-12-19/h2-14,20-23H,1,15-17H2
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n/an/a 4.30E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
sentrin-specific protease 1


(Homo sapiens (Human))
BDBM94820
PNG
((5Z)-5-[(2-hydroxy-1-naphthalenyl)methylidene]imid...)
Show SMILES Oc1ccc2ccccc2c1\C=C1/NC(=O)NC1=O
Show InChI InChI=1S/C14H10N2O3/c17-12-6-5-8-3-1-2-4-9(8)10(12)7-11-13(18)16-14(19)15-11/h1-7,17H,(H2,15,16,18,19)/b11-7-
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n/an/a 4.34E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
sentrin-specific protease 1


(Homo sapiens (Human))
BDBM94845
PNG
((5R)-3-(3-chloranyl-2-oxidanyl-phenyl)-5-(3,4-dime...)
Show SMILES COc1ccc(cc1OC)[C@H]1CC(=O)C=C(C1)c1cccc(Cl)c1O
Show InChI InChI=1S/C20H19ClO4/c1-24-18-7-6-12(11-19(18)25-2)13-8-14(10-15(22)9-13)16-4-3-5-17(21)20(16)23/h3-7,10-11,13,23H,8-9H2,1-2H3/t13-/m1/s1
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n/an/a 4.36E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
sentrin-specific protease 1


(Homo sapiens (Human))
BDBM94814
PNG
(4-(4-Chloro-benzoyl)-2-(4-methoxy-phenyl)-hexahydr...)
Show SMILES COc1ccc(cc1)-n1c(O)c2C3CCCN3C(C(=O)c3ccc(Cl)cc3)c2c1O
Show InChI InChI=1S/C23H21ClN2O4/c1-30-16-10-8-15(9-11-16)26-22(28)18-17-3-2-12-25(17)20(19(18)23(26)29)21(27)13-4-6-14(24)7-5-13/h4-11,17,20,28-29H,2-3,12H2,1H3
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n/an/a 4.36E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
sentrin-specific protease 1


(Homo sapiens (Human))
BDBM94811
PNG
(5-(3-chlorobenzyl)-3,5-dihydro-4H-pyridazino[4,5-b...)
Show SMILES Clc1cccc(Cn2c3ccccc3c3cn[nH]c(=O)c23)c1
Show InChI InChI=1S/C17H12ClN3O/c18-12-5-3-4-11(8-12)10-21-15-7-2-1-6-13(15)14-9-19-20-17(22)16(14)21/h1-9H,10H2,(H,20,22)
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n/an/a 4.44E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
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