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Compile Data Set for Download or QSAR

Found 1412 hits of ic50 for UniProtKB: Q96LD8   
Target/Host
(Institution)
LigandTarget/Host
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
Sentrin-specific protease 8


(Homo sapiens (Human))
BDBM64030
PNG
(3-Amino-6,6-dimethyl-2-phenyl-2,8-dihydro-6H-pyran...)
Show SMILES CC1(C)Cc2c(CO1)nn(-c1ccccc1)c(=N)c2C#N
Show InChI InChI=1S/C16H16N4O/c1-16(2)8-12-13(9-17)15(18)20(19-14(12)10-21-16)11-6-4-3-5-7-11/h3-7,18H,8,10H2,1-2H3
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n/an/a 17.3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2P849HJ
More data for this
Ligand-Target Pair
Sentrin-specific protease 8


(Homo sapiens (Human))
BDBM64030
PNG
(3-Amino-6,6-dimethyl-2-phenyl-2,8-dihydro-6H-pyran...)
Show SMILES CC1(C)Cc2c(CO1)nn(-c1ccccc1)c(=N)c2C#N
Show InChI InChI=1S/C16H16N4O/c1-16(2)8-12-13(9-17)15(18)20(19-14(12)10-21-16)11-6-4-3-5-7-11/h3-7,18H,8,10H2,1-2H3
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n/an/a 17.3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2JM2870
More data for this
Ligand-Target Pair
Sentrin-specific protease 8


(Homo sapiens (Human))
BDBM50322995
PNG
(CHEMBL1210769 | cid_349435 | isoquinoline-1,3(2H,4...)
Show SMILES O=C1Cc2ccccc2C(=O)N1
Show InChI InChI=1S/C9H7NO2/c11-8-5-6-3-1-2-4-7(6)9(12)10-8/h1-4H,5H2,(H,10,11,12)
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n/an/a 40.8n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2JM2870
More data for this
Ligand-Target Pair
Sentrin-specific protease 8


(Homo sapiens (Human))
BDBM50322995
PNG
(CHEMBL1210769 | cid_349435 | isoquinoline-1,3(2H,4...)
Show SMILES O=C1Cc2ccccc2C(=O)N1
Show InChI InChI=1S/C9H7NO2/c11-8-5-6-3-1-2-4-7(6)9(12)10-8/h1-4H,5H2,(H,10,11,12)
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n/an/a 40.8n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2P849HJ
More data for this
Ligand-Target Pair
Sentrin-specific protease 8


(Homo sapiens (Human))
BDBM38837
PNG
(2-(2-phenylethyl)-4H-isoquinoline-1,3-dione | 2-ph...)
Show SMILES O=C1Cc2ccccc2C(=O)N1CCc1ccccc1
Show InChI InChI=1S/C17H15NO2/c19-16-12-14-8-4-5-9-15(14)17(20)18(16)11-10-13-6-2-1-3-7-13/h1-9H,10-12H2
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n/an/a 148n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2JM2870
More data for this
Ligand-Target Pair
Sentrin-specific protease 8


(Homo sapiens (Human))
BDBM38837
PNG
(2-(2-phenylethyl)-4H-isoquinoline-1,3-dione | 2-ph...)
Show SMILES O=C1Cc2ccccc2C(=O)N1CCc1ccccc1
Show InChI InChI=1S/C17H15NO2/c19-16-12-14-8-4-5-9-15(14)17(20)18(16)11-10-13-6-2-1-3-7-13/h1-9H,10-12H2
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n/an/a 148n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2P849HJ
More data for this
Ligand-Target Pair
Sentrin-specific protease 8


(Homo sapiens (Human))
BDBM70782
PNG
((NZ)-N-[4-keto-3-(p-toluidino)-1-naphthylidene]thi...)
Show SMILES Cc1ccc(NC2=CC(=NS(=O)(=O)c3cccs3)c3ccccc3C2=O)cc1 |w:9.9,t:6|
Show InChI InChI=1S/C21H16N2O3S2/c1-14-8-10-15(11-9-14)22-19-13-18(16-5-2-3-6-17(16)21(19)24)23-28(25,26)20-7-4-12-27-20/h2-13,22H,1H3
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n/an/a 244n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MS3R7H
More data for this
Ligand-Target Pair
Sentrin-specific protease 8


(Homo sapiens (Human))
BDBM64790
PNG
(3a,8b-Dihydroxy-2-methyl-4-oxo-4,8b-dihydro-3aH-in...)
Show SMILES CCOC(=O)C1=C(C)OC2(O)c3ccccc3C(=O)C12O |c:5|
Show InChI InChI=1S/C15H14O6/c1-3-20-13(17)11-8(2)21-15(19)10-7-5-4-6-9(10)12(16)14(11,15)18/h4-7,18-19H,3H2,1-2H3
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n/an/a 284n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2JM2870
More data for this
Ligand-Target Pair
Sentrin-specific protease 8


(Homo sapiens (Human))
BDBM64790
PNG
(3a,8b-Dihydroxy-2-methyl-4-oxo-4,8b-dihydro-3aH-in...)
Show SMILES CCOC(=O)C1=C(C)OC2(O)c3ccccc3C(=O)C12O |c:5|
Show InChI InChI=1S/C15H14O6/c1-3-20-13(17)11-8(2)21-15(19)10-7-5-4-6-9(10)12(16)14(11,15)18/h4-7,18-19H,3H2,1-2H3
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n/an/a 284n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2P849HJ
More data for this
Ligand-Target Pair
Sentrin-specific protease 8


(Homo sapiens (Human))
BDBM34218
PNG
(3-[(E)-5'-(2-Cyano-ethylsulfanyl)-5,4'-dim...)
Show SMILES CC1=C(SCCC#N)S\C(S1)=C1/SC(C)=C(SCCC#N)S1 |c:1,t:15|
Show InChI InChI=1S/C14H14N2S6/c1-9-11(17-7-3-5-15)21-13(19-9)14-20-10(2)12(22-14)18-8-4-6-16/h3-4,7-8H2,1-2H3/b14-13+
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n/an/a 299n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2JM2870
More data for this
Ligand-Target Pair
Sentrin-specific protease 8


(Homo sapiens (Human))
BDBM34218
PNG
(3-[(E)-5'-(2-Cyano-ethylsulfanyl)-5,4'-dim...)
Show SMILES CC1=C(SCCC#N)S\C(S1)=C1/SC(C)=C(SCCC#N)S1 |c:1,t:15|
Show InChI InChI=1S/C14H14N2S6/c1-9-11(17-7-3-5-15)21-13(19-9)14-20-10(2)12(22-14)18-8-4-6-16/h3-4,7-8H2,1-2H3/b14-13+
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n/an/a 299n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2P849HJ
More data for this
Ligand-Target Pair
Sentrin-specific protease 8


(Homo sapiens (Human))
BDBM76524
PNG
(4-[(4-methyl-5-phenyl-1,3-thiazol-2-yl)amino]benzo...)
Show SMILES Cc1nc(Nc2ccc(cc2)C(O)=O)sc1-c1ccccc1
Show InChI InChI=1S/C17H14N2O2S/c1-11-15(12-5-3-2-4-6-12)22-17(18-11)19-14-9-7-13(8-10-14)16(20)21/h2-10H,1H3,(H,18,19)(H,20,21)
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n/an/a 325n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2C827R9
More data for this
Ligand-Target Pair
Sentrin-specific protease 8


(Homo sapiens (Human))
BDBM93583
PNG
(MLS000701606 | N-[(Z)-[(3E)-3-(carbomethoxyhydrazo...)
Show SMILES COC(=O)NN=C1CC(=NNC(=O)OC)c2ccccc12 |w:5.4,9.9|
Show InChI InChI=1S/C13H14N4O4/c1-20-12(18)16-14-10-7-11(15-17-13(19)21-2)9-6-4-3-5-8(9)10/h3-6H,7H2,1-2H3,(H,16,18)(H,17,19)
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n/an/a 365n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2JM2870
More data for this
Ligand-Target Pair
Sentrin-specific protease 8


(Homo sapiens (Human))
BDBM93583
PNG
(MLS000701606 | N-[(Z)-[(3E)-3-(carbomethoxyhydrazo...)
Show SMILES COC(=O)NN=C1CC(=NNC(=O)OC)c2ccccc12 |w:5.4,9.9|
Show InChI InChI=1S/C13H14N4O4/c1-20-12(18)16-14-10-7-11(15-17-13(19)21-2)9-6-4-3-5-8(9)10/h3-6H,7H2,1-2H3,(H,16,18)(H,17,19)
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Burnham Center for Chemical Genomics

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PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2P849HJ
More data for this
Ligand-Target Pair
Sentrin-specific protease 8


(Homo sapiens (Human))
BDBM61232
PNG
((2-bromanyl-4,5-dimethoxy-phenyl)-(6,7-dimethoxyis...)
Show SMILES COc1cc(Br)c(cc1OC)C(=O)c1nccc2cc(OC)c(OC)cc12
Show InChI InChI=1S/C20H18BrNO5/c1-24-15-7-11-5-6-22-19(12(11)8-16(15)25-2)20(23)13-9-17(26-3)18(27-4)10-14(13)21/h5-10H,1-4H3
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Burnham Center for Chemical Genomics

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PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2JM2870
More data for this
Ligand-Target Pair
Sentrin-specific protease 8


(Homo sapiens (Human))
BDBM61232
PNG
((2-bromanyl-4,5-dimethoxy-phenyl)-(6,7-dimethoxyis...)
Show SMILES COc1cc(Br)c(cc1OC)C(=O)c1nccc2cc(OC)c(OC)cc12
Show InChI InChI=1S/C20H18BrNO5/c1-24-15-7-11-5-6-22-19(12(11)8-16(15)25-2)20(23)13-9-17(26-3)18(27-4)10-14(13)21/h5-10H,1-4H3
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Burnham Center for Chemical Genomics

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PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2P849HJ
More data for this
Ligand-Target Pair
Sentrin-specific protease 8


(Homo sapiens (Human))
BDBM83904
PNG
(4-tert-Butyl-benzoic acid N'-(2,6-di-piperidin...)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)NNc1cc(nc(n1)N1CCCCC1)N1CCCCC1
Show InChI InChI=1S/C25H36N6O/c1-25(2,3)20-12-10-19(11-13-20)23(32)29-28-21-18-22(30-14-6-4-7-15-30)27-24(26-21)31-16-8-5-9-17-31/h10-13,18H,4-9,14-17H2,1-3H3,(H,29,32)(H,26,27,28)
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Burnham Center for Chemical Genomics

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PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2P849HJ
More data for this
Ligand-Target Pair
Sentrin-specific protease 8


(Homo sapiens (Human))
BDBM83904
PNG
(4-tert-Butyl-benzoic acid N'-(2,6-di-piperidin...)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)NNc1cc(nc(n1)N1CCCCC1)N1CCCCC1
Show InChI InChI=1S/C25H36N6O/c1-25(2,3)20-12-10-19(11-13-20)23(32)29-28-21-18-22(30-14-6-4-7-15-30)27-24(26-21)31-16-8-5-9-17-31/h10-13,18H,4-9,14-17H2,1-3H3,(H,29,32)(H,26,27,28)
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Burnham Center for Chemical Genomics

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PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2JM2870
More data for this
Ligand-Target Pair
Sentrin-specific protease 8


(Homo sapiens (Human))
BDBM71372
PNG
(2-(4-methoxybenzyl)-1,3(2H,4H)-isoquinolinedione |...)
Show SMILES COc1ccc(CN2C(=O)Cc3ccccc3C2=O)cc1
Show InChI InChI=1S/C17H15NO3/c1-21-14-8-6-12(7-9-14)11-18-16(19)10-13-4-2-3-5-15(13)17(18)20/h2-9H,10-11H2,1H3
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Burnham Center for Chemical Genomics

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PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2JM2870
More data for this
Ligand-Target Pair
Sentrin-specific protease 8


(Homo sapiens (Human))
BDBM71372
PNG
(2-(4-methoxybenzyl)-1,3(2H,4H)-isoquinolinedione |...)
Show SMILES COc1ccc(CN2C(=O)Cc3ccccc3C2=O)cc1
Show InChI InChI=1S/C17H15NO3/c1-21-14-8-6-12(7-9-14)11-18-16(19)10-13-4-2-3-5-15(13)17(18)20/h2-9H,10-11H2,1H3
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Burnham Center for Chemical Genomics

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PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2P849HJ
More data for this
Ligand-Target Pair
Sentrin-specific protease 8


(Homo sapiens (Human))
BDBM76592
PNG
(2-((E)-2-p-Tolyl-vinyl)-3H-quinazolin-4-one | 2-[(...)
Show SMILES Cc1ccc(C=Cc2nc3ccccc3c(=O)[nH]2)cc1 |w:6.6|
Show InChI InChI=1S/C17H14N2O/c1-12-6-8-13(9-7-12)10-11-16-18-15-5-3-2-4-14(15)17(20)19-16/h2-11H,1H3,(H,18,19,20)/b11-10+
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Burnham Center for Chemical Genomics

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Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2C827R9
More data for this
Ligand-Target Pair
Sentrin-specific protease 8


(Homo sapiens (Human))
BDBM93628
PNG
(5-amino-4-keto-N-[(E)-p-anisylideneamino]-3-phenyl...)
Show SMILES COc1ccc(\C=N\NC(=O)c2nn(-c3ccccc3)c(=O)c3c(N)scc23)cc1
Show InChI InChI=1S/C21H17N5O3S/c1-29-15-9-7-13(8-10-15)11-23-24-20(27)18-16-12-30-19(22)17(16)21(28)26(25-18)14-5-3-2-4-6-14/h2-12H,22H2,1H3,(H,24,27)/b23-11+
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Burnham Center for Chemical Genomics

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PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2P849HJ
More data for this
Ligand-Target Pair
Sentrin-specific protease 8


(Homo sapiens (Human))
BDBM93628
PNG
(5-amino-4-keto-N-[(E)-p-anisylideneamino]-3-phenyl...)
Show SMILES COc1ccc(\C=N\NC(=O)c2nn(-c3ccccc3)c(=O)c3c(N)scc23)cc1
Show InChI InChI=1S/C21H17N5O3S/c1-29-15-9-7-13(8-10-15)11-23-24-20(27)18-16-12-30-19(22)17(16)21(28)26(25-18)14-5-3-2-4-6-14/h2-12H,22H2,1H3,(H,24,27)/b23-11+
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2JM2870
More data for this
Ligand-Target Pair
Sentrin-specific protease 8


(Homo sapiens (Human))
BDBM93620
PNG
(6-aminohexyl-(5,6-dimethoxy-8-quinolyl)amine | MLS...)
Show SMILES COc1cc(NCCCCCCN)c2ncccc2c1OC
Show InChI InChI=1S/C17H25N3O2/c1-21-15-12-14(19-10-6-4-3-5-9-18)16-13(17(15)22-2)8-7-11-20-16/h7-8,11-12,19H,3-6,9-10,18H2,1-2H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2P849HJ
More data for this
Ligand-Target Pair
Sentrin-specific protease 8


(Homo sapiens (Human))
BDBM93620
PNG
(6-aminohexyl-(5,6-dimethoxy-8-quinolyl)amine | MLS...)
Show SMILES COc1cc(NCCCCCCN)c2ncccc2c1OC
Show InChI InChI=1S/C17H25N3O2/c1-21-15-12-14(19-10-6-4-3-5-9-18)16-13(17(15)22-2)8-7-11-20-16/h7-8,11-12,19H,3-6,9-10,18H2,1-2H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2JM2870
More data for this
Ligand-Target Pair
Sentrin-specific protease 8


(Homo sapiens (Human))
BDBM93697
PNG
(MLS001181286 | SMR000502433 | cid_3897207)
Show SMILES CC(=O)Nn1c(=O)c2ccc3c4c(ccc(c24)c1=O)c(=O)n(NC(C)=O)c3=O
Show InChI InChI=1S/C18H12N4O6/c1-7(23)19-21-15(25)9-3-5-11-14-12(6-4-10(13(9)14)16(21)26)18(28)22(17(11)27)20-8(2)24/h3-6H,1-2H3,(H,19,23)(H,20,24)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2JM2870
More data for this
Ligand-Target Pair
Sentrin-specific protease 8


(Homo sapiens (Human))
BDBM93697
PNG
(MLS001181286 | SMR000502433 | cid_3897207)
Show SMILES CC(=O)Nn1c(=O)c2ccc3c4c(ccc(c24)c1=O)c(=O)n(NC(C)=O)c3=O
Show InChI InChI=1S/C18H12N4O6/c1-7(23)19-21-15(25)9-3-5-11-14-12(6-4-10(13(9)14)16(21)26)18(28)22(17(11)27)20-8(2)24/h3-6H,1-2H3,(H,19,23)(H,20,24)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2P849HJ
More data for this
Ligand-Target Pair
Sentrin-specific protease 8


(Homo sapiens (Human))
BDBM48245
PNG
((E)-3-(2-methoxy-4-nitro-anilino)-1-(2-thienyl)pro...)
Show SMILES COc1cc(ccc1N=CCC(=O)c1cccs1)[N+]([O-])=O |w:8.8|
Show InChI InChI=1S/C14H12N2O4S/c1-20-13-9-10(16(18)19)4-5-11(13)15-7-6-12(17)14-3-2-8-21-14/h2-5,7-9H,6H2,1H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2C827R9
More data for this
Ligand-Target Pair
Sentrin-specific protease 8


(Homo sapiens (Human))
BDBM76612
PNG
(2-phenyl-1H-indole-6-carboxylic acid | MLS00118102...)
Show SMILES OC(=O)c1ccc2cc([nH]c2c1)-c1ccccc1
Show InChI InChI=1S/C15H11NO2/c17-15(18)12-7-6-11-8-13(16-14(11)9-12)10-4-2-1-3-5-10/h1-9,16H,(H,17,18)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2C827R9
More data for this
Ligand-Target Pair
Sentrin-specific protease 8


(Homo sapiens (Human))
BDBM93658
PNG
(2-(3-chlorobenzyl)-1,3(2H,4H)-isoquinolinedione | ...)
Show SMILES Clc1cccc(CN2C(=O)Cc3ccccc3C2=O)c1
Show InChI InChI=1S/C16H12ClNO2/c17-13-6-3-4-11(8-13)10-18-15(19)9-12-5-1-2-7-14(12)16(18)20/h1-8H,9-10H2
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2P849HJ
More data for this
Ligand-Target Pair
Sentrin-specific protease 8


(Homo sapiens (Human))
BDBM93658
PNG
(2-(3-chlorobenzyl)-1,3(2H,4H)-isoquinolinedione | ...)
Show SMILES Clc1cccc(CN2C(=O)Cc3ccccc3C2=O)c1
Show InChI InChI=1S/C16H12ClNO2/c17-13-6-3-4-11(8-13)10-18-15(19)9-12-5-1-2-7-14(12)16(18)20/h1-8H,9-10H2
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2JM2870
More data for this
Ligand-Target Pair
Sentrin-specific protease 8


(Homo sapiens (Human))
BDBM70961
PNG
((6,7-dimethoxy-1-isoquinolinyl)(4,5-dimethoxy-2-ni...)
Show SMILES COc1cc(C(=O)c2nccc3cc(OC)c(OC)cc23)c(cc1OC)[N+]([O-])=O
Show InChI InChI=1S/C20H18N2O7/c1-26-15-7-11-5-6-21-19(12(11)8-16(15)27-2)20(23)13-9-17(28-3)18(29-4)10-14(13)22(24)25/h5-10H,1-4H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2JM2870
More data for this
Ligand-Target Pair
Sentrin-specific protease 8


(Homo sapiens (Human))
BDBM70961
PNG
((6,7-dimethoxy-1-isoquinolinyl)(4,5-dimethoxy-2-ni...)
Show SMILES COc1cc(C(=O)c2nccc3cc(OC)c(OC)cc23)c(cc1OC)[N+]([O-])=O
Show InChI InChI=1S/C20H18N2O7/c1-26-15-7-11-5-6-21-19(12(11)8-16(15)27-2)20(23)13-9-17(28-3)18(29-4)10-14(13)22(24)25/h5-10H,1-4H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2P849HJ
More data for this
Ligand-Target Pair
Sentrin-specific protease 8


(Homo sapiens (Human))
BDBM42207
PNG
((8S,8aR,11aS,11bS)-8-Acetyl-10-(4-methoxy-phenyl)-...)
Show SMILES [H][C@]12[C@H](N3C=Cc4ccccc4[C@]3([H])[C@@]1([H])C(=O)N(C2=O)c1ccc(OC)cc1)C(C)=O |c:4|
Show InChI InChI=1S/C23H20N2O4/c1-13(26)20-18-19(21-17-6-4-3-5-14(17)11-12-24(20)21)23(28)25(22(18)27)15-7-9-16(29-2)10-8-15/h3-12,18-21H,1-2H3/t18-,19+,20-,21-/m1/s1
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2JM2870
More data for this
Ligand-Target Pair
Sentrin-specific protease 8


(Homo sapiens (Human))
BDBM68331
PNG
(N-(1,3-benzothiazol-2-yl)-1-benzothiophene-2-carbo...)
Show SMILES O=C(Nc1nc2ccccc2s1)c1cc2ccccc2s1
Show InChI InChI=1S/C16H10N2OS2/c19-15(14-9-10-5-1-3-7-12(10)20-14)18-16-17-11-6-2-4-8-13(11)21-16/h1-9H,(H,17,18,19)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2HT2MVZ
More data for this
Ligand-Target Pair
Sentrin-specific protease 8


(Homo sapiens (Human))
BDBM42207
PNG
((8S,8aR,11aS,11bS)-8-Acetyl-10-(4-methoxy-phenyl)-...)
Show SMILES [H][C@]12[C@H](N3C=Cc4ccccc4[C@]3([H])[C@@]1([H])C(=O)N(C2=O)c1ccc(OC)cc1)C(C)=O |c:4|
Show InChI InChI=1S/C23H20N2O4/c1-13(26)20-18-19(21-17-6-4-3-5-14(17)11-12-24(20)21)23(28)25(22(18)27)15-7-9-16(29-2)10-8-15/h3-12,18-21H,1-2H3/t18-,19+,20-,21-/m1/s1
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2P849HJ
More data for this
Ligand-Target Pair
Sentrin-specific protease 8


(Homo sapiens (Human))
BDBM76488
PNG
((1-pyridin-2-ylethylideneamino) 4-bromanylbenzoate...)
Show SMILES CC(=NOC(=O)c1ccc(Br)cc1)c1ccccn1
Show InChI InChI=1S/C14H11BrN2O2/c1-10(13-4-2-3-9-16-13)17-19-14(18)11-5-7-12(15)8-6-11/h2-9H,1H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2C827R9
More data for this
Ligand-Target Pair
Sentrin-specific protease 8


(Homo sapiens (Human))
BDBM93580
PNG
(5-amino-N'-(4-chlorobenzylidene)-4-oxo-3-pheny...)
Show SMILES Nc1scc2c(nn(-c3ccccc3)c(=O)c12)C(=O)N\N=C\c1ccc(Cl)cc1
Show InChI InChI=1S/C20H14ClN5O2S/c21-13-8-6-12(7-9-13)10-23-24-19(27)17-15-11-29-18(22)16(15)20(28)26(25-17)14-4-2-1-3-5-14/h1-11H,22H2,(H,24,27)/b23-10+
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2P849HJ
More data for this
Ligand-Target Pair
Sentrin-specific protease 8


(Homo sapiens (Human))
BDBM93580
PNG
(5-amino-N'-(4-chlorobenzylidene)-4-oxo-3-pheny...)
Show SMILES Nc1scc2c(nn(-c3ccccc3)c(=O)c12)C(=O)N\N=C\c1ccc(Cl)cc1
Show InChI InChI=1S/C20H14ClN5O2S/c21-13-8-6-12(7-9-13)10-23-24-19(27)17-15-11-29-18(22)16(15)20(28)26(25-17)14-4-2-1-3-5-14/h1-11H,22H2,(H,24,27)/b23-10+
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2JM2870
More data for this
Ligand-Target Pair
Sentrin-specific protease 8


(Homo sapiens (Human))
BDBM76714
PNG
(3-(1H-benzimidazol-2-yl)-8-hydroxy-1-benzopyran-2-...)
Show SMILES Oc1cccc2cc(-c3nc4ccccc4[nH]3)c(=O)oc12
Show InChI InChI=1S/C16H10N2O3/c19-13-7-3-4-9-8-10(16(20)21-14(9)13)15-17-11-5-1-2-6-12(11)18-15/h1-8,19H,(H,17,18)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2C827R9
More data for this
Ligand-Target Pair
Sentrin-specific protease 8


(Homo sapiens (Human))
BDBM50305859
PNG
(5-methyl-3,6-diphenylisoxazolo[4,5-c]pyridin-4(5H)...)
Show SMILES Cn1c(cc2onc(-c3ccccc3)c2c1=O)-c1ccccc1
Show InChI InChI=1S/C19H14N2O2/c1-21-15(13-8-4-2-5-9-13)12-16-17(19(21)22)18(20-23-16)14-10-6-3-7-11-14/h2-12H,1H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2C827R9
More data for this
Ligand-Target Pair
Sentrin-specific protease 8


(Homo sapiens (Human))
BDBM84043
PNG
(MLS-0454431.0001 | N-(6-chloranyl-1,3-benzothiazol...)
Show SMILES Cn1cccc1C(=O)Nc1nc2ccc(Cl)cc2s1
Show InChI InChI=1S/C13H10ClN3OS/c1-17-6-2-3-10(17)12(18)16-13-15-9-5-4-8(14)7-11(9)19-13/h2-7H,1H3,(H,15,16,18)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2HT2MVZ
More data for this
Ligand-Target Pair
Sentrin-specific protease 8


(Homo sapiens (Human))
BDBM34503
PNG
(3-cyclohexyl-6-keto-8-(2-methoxy-1-naphthyl)-2,4,7...)
Show SMILES COc1ccc2ccccc2c1C1CC(=O)N2CN(CSC2=C1C#N)C1CCCCC1 |c:24|
Show InChI InChI=1S/C25H27N3O2S/c1-30-22-12-11-17-7-5-6-10-19(17)24(22)20-13-23(29)28-15-27(18-8-3-2-4-9-18)16-31-25(28)21(20)14-26/h5-7,10-12,18,20H,2-4,8-9,13,15-16H2,1H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2JM2870
More data for this
Ligand-Target Pair
Sentrin-specific protease 8


(Homo sapiens (Human))
BDBM34503
PNG
(3-cyclohexyl-6-keto-8-(2-methoxy-1-naphthyl)-2,4,7...)
Show SMILES COc1ccc2ccccc2c1C1CC(=O)N2CN(CSC2=C1C#N)C1CCCCC1 |c:24|
Show InChI InChI=1S/C25H27N3O2S/c1-30-22-12-11-17-7-5-6-10-19(17)24(22)20-13-23(29)28-15-27(18-8-3-2-4-9-18)16-31-25(28)21(20)14-26/h5-7,10-12,18,20H,2-4,8-9,13,15-16H2,1H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2P849HJ
More data for this
Ligand-Target Pair
Sentrin-specific protease 8


(Homo sapiens (Human))
BDBM34893
PNG
(6-N-(benzylideneamino)-2-N,2-N,4-N,4-N-tetramethyl...)
Show SMILES CN(C)c1cc(N=NCc2ccccc2)nc(n1)N(C)C |w:6.5|
Show InChI InChI=1S/C15H20N6/c1-20(2)14-10-13(17-15(18-14)21(3)4)19-16-11-12-8-6-5-7-9-12/h5-10H,11H2,1-4H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2P849HJ
More data for this
Ligand-Target Pair
Sentrin-specific protease 8


(Homo sapiens (Human))
BDBM34893
PNG
(6-N-(benzylideneamino)-2-N,2-N,4-N,4-N-tetramethyl...)
Show SMILES CN(C)c1cc(N=NCc2ccccc2)nc(n1)N(C)C |w:6.5|
Show InChI InChI=1S/C15H20N6/c1-20(2)14-10-13(17-15(18-14)21(3)4)19-16-11-12-8-6-5-7-9-12/h5-10H,11H2,1-4H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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UniChem

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n/an/a 661n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2JM2870
More data for this
Ligand-Target Pair
Sentrin-specific protease 8


(Homo sapiens (Human))
BDBM61195
PNG
(MLS000765857 | N'-(2,6-dipyrrolidin-1-ylpyrimidin-...)
Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)NNc1cc(nc(n1)N1CCCC1)N1CCCC1
Show InChI InChI=1S/C19H23N7O3/c27-18(14-5-7-15(8-6-14)26(28)29)23-22-16-13-17(24-9-1-2-10-24)21-19(20-16)25-11-3-4-12-25/h5-8,13H,1-4,9-12H2,(H,23,27)(H,20,21,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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UniChem

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PCBioAssay
n/an/a 732n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2P849HJ
More data for this
Ligand-Target Pair
Sentrin-specific protease 8


(Homo sapiens (Human))
BDBM61195
PNG
(MLS000765857 | N'-(2,6-dipyrrolidin-1-ylpyrimidin-...)
Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)NNc1cc(nc(n1)N1CCCC1)N1CCCC1
Show InChI InChI=1S/C19H23N7O3/c27-18(14-5-7-15(8-6-14)26(28)29)23-22-16-13-17(24-9-1-2-10-24)21-19(20-16)25-11-3-4-12-25/h5-8,13H,1-4,9-12H2,(H,23,27)(H,20,21,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 732n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2JM2870
More data for this
Ligand-Target Pair
Sentrin-specific protease 8


(Homo sapiens (Human))
BDBM61210
PNG
(3-Acetyl-3a,8b-dihydroxy-2-methyl-3a,8b-dihydro-in...)
Show SMILES CC(=O)C1=C(C)OC2(O)c3ccccc3C(=O)C12O |c:3|
Show InChI InChI=1S/C14H12O5/c1-7(15)11-8(2)19-14(18)10-6-4-3-5-9(10)12(16)13(11,14)17/h3-6,17-18H,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
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Purchase

PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 754n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2P849HJ
More data for this
Ligand-Target Pair
Sentrin-specific protease 8


(Homo sapiens (Human))
BDBM61210
PNG
(3-Acetyl-3a,8b-dihydroxy-2-methyl-3a,8b-dihydro-in...)
Show SMILES CC(=O)C1=C(C)OC2(O)c3ccccc3C(=O)C12O |c:3|
Show InChI InChI=1S/C14H12O5/c1-7(15)11-8(2)19-14(18)10-6-4-3-5-9(10)12(16)13(11,14)17/h3-6,17-18H,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 754n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2JM2870
More data for this
Ligand-Target Pair
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