BindingDB logo
myBDB logout

3 similar compounds to monomer 47952

Wt: 534.6
BDBM46566
Purchase
Wt: 534.6
BDBM54915
Purchase
Wt: 546.6
BDBM54916
Purchase

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 22 hits for monomerid = 46566,54915,54916   
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
Valosin-containing protein


(Homo sapiens (Human))
BDBM46566
PNG
(MLS000589113 | N-(3-Benzenesulfonyl-1-butyl-1H-pyr...)
Show SMILES CCCCn1c(NS(=O)(=O)c2ccc(C)cc2)c(c2nc3ccccc3nc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C27H26N4O4S2/c1-3-4-18-31-26-24(28-22-12-8-9-13-23(22)29-26)25(36(32,33)20-10-6-5-7-11-20)27(31)30-37(34,35)21-16-14-19(2)15-17-21/h5-17,30H,3-4,18H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

AffyNet 
PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
hypothetical protein SA1422


(Staphylococcus aureus subsp. aureus N315)
BDBM54916
PNG
(MLS000588665 | N-(3-Benzenesulfonyl-1-cyclohexyl-1...)
Show SMILES O=S(=O)(Nc1c(c2nc3ccccc3nc2n1C1CCCCC1)S(=O)(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H26N4O4S2/c33-37(34,21-14-6-2-7-15-21)26-25-27(30-24-19-11-10-18-23(24)29-25)32(20-12-4-1-5-13-20)28(26)31-38(35,36)22-16-8-3-9-17-22/h2-3,6-11,14-20,31H,1,4-5,12-13H2
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

AffyNet 
PCBioAssay
n/an/a 2.17E+4n/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
ubiquitin-conjugating enzyme E2I


(Homo sapiens)
BDBM54915
PNG
(MLS000588658 | N-(1-butyl-3-tosyl-pyrrolo[3,2-b]qu...)
Show SMILES CCCCn1c(NS(=O)(=O)c2ccccc2)c(c2nc3ccccc3nc12)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C27H26N4O4S2/c1-3-4-18-31-26-24(28-22-12-8-9-13-23(22)29-26)25(36(32,33)20-16-14-19(2)15-17-20)27(31)30-37(34,35)21-10-6-5-7-11-21/h5-17,30H,3-4,18H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PCBioAssay
n/an/a 680n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM54915
PNG
(MLS000588658 | N-(1-butyl-3-tosyl-pyrrolo[3,2-b]qu...)
Show SMILES CCCCn1c(NS(=O)(=O)c2ccccc2)c(c2nc3ccccc3nc12)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C27H26N4O4S2/c1-3-4-18-31-26-24(28-22-12-8-9-13-23(22)29-26)25(36(32,33)20-16-14-19(2)15-17-20)27(31)30-37(34,35)21-10-6-5-7-11-21/h5-17,30H,3-4,18H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

AffyNet 
PCBioAssay
n/an/an/an/a 1.83E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM54916
PNG
(MLS000588665 | N-(3-Benzenesulfonyl-1-cyclohexyl-1...)
Show SMILES O=S(=O)(Nc1c(c2nc3ccccc3nc2n1C1CCCCC1)S(=O)(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H26N4O4S2/c33-37(34,21-14-6-2-7-15-21)26-25-27(30-24-19-11-10-18-23(24)29-25)32(20-12-4-1-5-13-20)28(26)31-38(35,36)22-16-8-3-9-17-22/h2-3,6-11,14-20,31H,1,4-5,12-13H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

AffyNet 
PCBioAssay
n/an/an/an/a 5.18E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
plectin 1


(Homo sapiens)
BDBM54915
PNG
(MLS000588658 | N-(1-butyl-3-tosyl-pyrrolo[3,2-b]qu...)
Show SMILES CCCCn1c(NS(=O)(=O)c2ccccc2)c(c2nc3ccccc3nc12)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C27H26N4O4S2/c1-3-4-18-31-26-24(28-22-12-8-9-13-23(22)29-26)25(36(32,33)20-16-14-19(2)15-17-20)27(31)30-37(34,35)21-10-6-5-7-11-21/h5-17,30H,3-4,18H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

AffyNet 
PCBioAssay
n/an/a 1.60E+3n/an/an/an/an/an/a



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 (2009)

More data for this
Ligand-Target Pair
plectin 1


(Homo sapiens)
BDBM54916
PNG
(MLS000588665 | N-(3-Benzenesulfonyl-1-cyclohexyl-1...)
Show SMILES O=S(=O)(Nc1c(c2nc3ccccc3nc2n1C1CCCCC1)S(=O)(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H26N4O4S2/c33-37(34,21-14-6-2-7-15-21)26-25-27(30-24-19-11-10-18-23(24)29-25)32(20-12-4-1-5-13-20)28(26)31-38(35,36)22-16-8-3-9-17-22/h2-3,6-11,14-20,31H,1,4-5,12-13H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

AffyNet 
PCBioAssay
n/an/a 2.09E+3n/an/an/an/an/an/a



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 (2009)

More data for this
Ligand-Target Pair
plectin 1


(Homo sapiens)
BDBM46566
PNG
(MLS000589113 | N-(3-Benzenesulfonyl-1-butyl-1H-pyr...)
Show SMILES CCCCn1c(NS(=O)(=O)c2ccc(C)cc2)c(c2nc3ccccc3nc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C27H26N4O4S2/c1-3-4-18-31-26-24(28-22-12-8-9-13-23(22)29-26)25(36(32,33)20-10-6-5-7-11-20)27(31)30-37(34,35)21-16-14-19(2)15-17-21/h5-17,30H,3-4,18H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

AffyNet 
PCBioAssay
n/an/a 3.41E+3n/an/an/an/an/an/a



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 (2009)

More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM46566
PNG
(MLS000589113 | N-(3-Benzenesulfonyl-1-butyl-1H-pyr...)
Show SMILES CCCCn1c(NS(=O)(=O)c2ccc(C)cc2)c(c2nc3ccccc3nc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C27H26N4O4S2/c1-3-4-18-31-26-24(28-22-12-8-9-13-23(22)29-26)25(36(32,33)20-10-6-5-7-11-20)27(31)30-37(34,35)21-16-14-19(2)15-17-21/h5-17,30H,3-4,18H2,1-2H3
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

AffyNet 
PCBioAssay
n/an/a 662n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
plectin 1


(Homo sapiens)
BDBM54915
PNG
(MLS000588658 | N-(1-butyl-3-tosyl-pyrrolo[3,2-b]qu...)
Show SMILES CCCCn1c(NS(=O)(=O)c2ccccc2)c(c2nc3ccccc3nc12)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C27H26N4O4S2/c1-3-4-18-31-26-24(28-22-12-8-9-13-23(22)29-26)25(36(32,33)20-16-14-19(2)15-17-20)27(31)30-37(34,35)21-10-6-5-7-11-21/h5-17,30H,3-4,18H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

AffyNet 
PCBioAssay
n/an/a 2.00E+5n/an/an/an/an/an/a



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 (2009)

More data for this
Ligand-Target Pair
plectin 1


(Homo sapiens)
BDBM54916
PNG
(MLS000588665 | N-(3-Benzenesulfonyl-1-cyclohexyl-1...)
Show SMILES O=S(=O)(Nc1c(c2nc3ccccc3nc2n1C1CCCCC1)S(=O)(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H26N4O4S2/c33-37(34,21-14-6-2-7-15-21)26-25-27(30-24-19-11-10-18-23(24)29-25)32(20-12-4-1-5-13-20)28(26)31-38(35,36)22-16-8-3-9-17-22/h2-3,6-11,14-20,31H,1,4-5,12-13H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

AffyNet 
PCBioAssay
n/an/a 2.00E+5n/an/an/an/an/an/a



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 (2009)

More data for this
Ligand-Target Pair
plectin 1


(Homo sapiens)
BDBM46566
PNG
(MLS000589113 | N-(3-Benzenesulfonyl-1-butyl-1H-pyr...)
Show SMILES CCCCn1c(NS(=O)(=O)c2ccc(C)cc2)c(c2nc3ccccc3nc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C27H26N4O4S2/c1-3-4-18-31-26-24(28-22-12-8-9-13-23(22)29-26)25(36(32,33)20-10-6-5-7-11-20)27(31)30-37(34,35)21-16-14-19(2)15-17-21/h5-17,30H,3-4,18H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

AffyNet 
PCBioAssay
n/an/a 2.00E+5n/an/an/an/an/an/a



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 (2009)

More data for this
Ligand-Target Pair
SUMO1 activating enzyme subunit 1


(Homo sapiens)
BDBM54915
PNG
(MLS000588658 | N-(1-butyl-3-tosyl-pyrrolo[3,2-b]qu...)
Show SMILES CCCCn1c(NS(=O)(=O)c2ccccc2)c(c2nc3ccccc3nc12)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C27H26N4O4S2/c1-3-4-18-31-26-24(28-22-12-8-9-13-23(22)29-26)25(36(32,33)20-16-14-19(2)15-17-20)27(31)30-37(34,35)21-10-6-5-7-11-21/h5-17,30H,3-4,18H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PCBioAssay
n/an/a 1.83E+3n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM54915
PNG
(MLS000588658 | N-(1-butyl-3-tosyl-pyrrolo[3,2-b]qu...)
Show SMILES CCCCn1c(NS(=O)(=O)c2ccccc2)c(c2nc3ccccc3nc12)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C27H26N4O4S2/c1-3-4-18-31-26-24(28-22-12-8-9-13-23(22)29-26)25(36(32,33)20-16-14-19(2)15-17-20)27(31)30-37(34,35)21-10-6-5-7-11-21/h5-17,30H,3-4,18H2,1-2H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PCBioAssay
n/an/a>1.00E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM46566
PNG
(MLS000589113 | N-(3-Benzenesulfonyl-1-butyl-1H-pyr...)
Show SMILES CCCCn1c(NS(=O)(=O)c2ccc(C)cc2)c(c2nc3ccccc3nc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C27H26N4O4S2/c1-3-4-18-31-26-24(28-22-12-8-9-13-23(22)29-26)25(36(32,33)20-10-6-5-7-11-20)27(31)30-37(34,35)21-16-14-19(2)15-17-21/h5-17,30H,3-4,18H2,1-2H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PCBioAssay
n/an/a>1.00E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM54915
PNG
(MLS000588658 | N-(1-butyl-3-tosyl-pyrrolo[3,2-b]qu...)
Show SMILES CCCCn1c(NS(=O)(=O)c2ccccc2)c(c2nc3ccccc3nc12)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C27H26N4O4S2/c1-3-4-18-31-26-24(28-22-12-8-9-13-23(22)29-26)25(36(32,33)20-16-14-19(2)15-17-20)27(31)30-37(34,35)21-10-6-5-7-11-21/h5-17,30H,3-4,18H2,1-2H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

AffyNet 
PCBioAssay
n/an/a>1.00E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM46566
PNG
(MLS000589113 | N-(3-Benzenesulfonyl-1-butyl-1H-pyr...)
Show SMILES CCCCn1c(NS(=O)(=O)c2ccc(C)cc2)c(c2nc3ccccc3nc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C27H26N4O4S2/c1-3-4-18-31-26-24(28-22-12-8-9-13-23(22)29-26)25(36(32,33)20-10-6-5-7-11-20)27(31)30-37(34,35)21-16-14-19(2)15-17-21/h5-17,30H,3-4,18H2,1-2H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

AffyNet 
PCBioAssay
n/an/a>1.00E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
XBP1


(Homo sapiens)
BDBM54915
PNG
(MLS000588658 | N-(1-butyl-3-tosyl-pyrrolo[3,2-b]qu...)
Show SMILES CCCCn1c(NS(=O)(=O)c2ccccc2)c(c2nc3ccccc3nc12)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C27H26N4O4S2/c1-3-4-18-31-26-24(28-22-12-8-9-13-23(22)29-26)25(36(32,33)20-16-14-19(2)15-17-20)27(31)30-37(34,35)21-10-6-5-7-11-21/h5-17,30H,3-4,18H2,1-2H3
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

AffyNet 
PCBioAssay
n/an/a 750n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
XBP1


(Homo sapiens)
BDBM46566
PNG
(MLS000589113 | N-(3-Benzenesulfonyl-1-butyl-1H-pyr...)
Show SMILES CCCCn1c(NS(=O)(=O)c2ccc(C)cc2)c(c2nc3ccccc3nc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C27H26N4O4S2/c1-3-4-18-31-26-24(28-22-12-8-9-13-23(22)29-26)25(36(32,33)20-10-6-5-7-11-20)27(31)30-37(34,35)21-16-14-19(2)15-17-21/h5-17,30H,3-4,18H2,1-2H3
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

AffyNet 
PCBioAssay
n/an/a 1.00E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (DNMT1)


(Homo sapiens (Human))
BDBM54916
PNG
(MLS000588665 | N-(3-Benzenesulfonyl-1-cyclohexyl-1...)
Show SMILES O=S(=O)(Nc1c(c2nc3ccccc3nc2n1C1CCCCC1)S(=O)(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H26N4O4S2/c33-37(34,21-14-6-2-7-15-21)26-25-27(30-24-19-11-10-18-23(24)29-25)32(20-12-4-1-5-13-20)28(26)31-38(35,36)22-16-8-3-9-17-22/h2-3,6-11,14-20,31H,1,4-5,12-13H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PCBioAssay
n/an/a 5.23E+3n/an/an/an/an/an/a



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 (2012)

More data for this
Ligand-Target Pair
SUMO-activating enzyme


(Homo sapiens (Human))
BDBM54915
PNG
(MLS000588658 | N-(1-butyl-3-tosyl-pyrrolo[3,2-b]qu...)
Show SMILES CCCCn1c(NS(=O)(=O)c2ccccc2)c(c2nc3ccccc3nc12)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C27H26N4O4S2/c1-3-4-18-31-26-24(28-22-12-8-9-13-23(22)29-26)25(36(32,33)20-16-14-19(2)15-17-20)27(31)30-37(34,35)21-10-6-5-7-11-21/h5-17,30H,3-4,18H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 500n/an/an/an/an/an/a



City of Hope; Sanford-Burnham Medical Research Institute

US Patent


Assay Description
Through the Molecular Library Probe Production Center Network (MLPCN), at least 300,000 compounds were screened using a TR-FRET method, an ALPHASCREE...


US Patent US9045483 (2015)

More data for this
Ligand-Target Pair
Valosin-containing protein


(Homo sapiens (Human))
BDBM46566
PNG
(MLS000589113 | N-(3-Benzenesulfonyl-1-butyl-1H-pyr...)
Show SMILES CCCCn1c(NS(=O)(=O)c2ccc(C)cc2)c(c2nc3ccccc3nc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C27H26N4O4S2/c1-3-4-18-31-26-24(28-22-12-8-9-13-23(22)29-26)25(36(32,33)20-10-6-5-7-11-20)27(31)30-37(34,35)21-16-14-19(2)15-17-21/h5-17,30H,3-4,18H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

AffyNet 
PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair