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BDBM60927 1-anilinonaphthalene-8-sulfonic acid::8-Anilino-1-naphthalenesulfonic acid::ANS::Anilinonaphthalene-8-sulfonic acid (ANS)::BDBM50126831

SMILES: OS(=O)(=O)c1cccc2cccc(Nc3ccccc3)c12

InChI Key: InChIKey=FWEOQOXTVHGIFQ-UHFFFAOYSA-N

Data: 3 KI  4 IC50  14 Kd  1 ITC

PDB links: 18 PDB IDs match this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 21 hits for monomerid = 60927   
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
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM60927
PNG
(1-anilinonaphthalene-8-sulfonic acid | 8-Anilino-1...)
Show SMILES OS(=O)(=O)c1cccc2cccc(Nc3ccccc3)c12
Show InChI InChI=1S/C16H13NO3S/c18-21(19,20)15-11-5-7-12-6-4-10-14(16(12)15)17-13-8-2-1-3-9-13/h1-11,17H,(H,18,19,20)
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1.00E+3n/an/an/an/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-2,3-bis[(2,4-dichlorobenzyl)oxy]benzoic acid from aFABP


Bioorg Med Chem Lett 17: 3511-5 (2007)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Intestinal fatty acid-binding protein (hIFABP)


(Homo sapiens (Human))
BDBM60927
PNG
(1-anilinonaphthalene-8-sulfonic acid | 8-Anilino-1...)
Show SMILES OS(=O)(=O)c1cccc2cccc(Nc3ccccc3)c12
Show InChI InChI=1S/C16H13NO3S/c18-21(19,20)15-11-5-7-12-6-4-10-14(16(12)15)17-13-8-2-1-3-9-13/h1-11,17H,(H,18,19,20)
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3.11E+4 -11.7n/an/an/an/an/an/a293.15



Monash University



Assay Description
Briefly, steady-state fluorescence spectra of ANS binding was monitored by measuring the increase in fluorescence signal between 450?550 nm following...


ACS Chem Biol 9: 2526-34 (2014)

More data for this
Ligand-Target Pair
Choline acetylase


(Homo sapiens)
BDBM60927
PNG
(1-anilinonaphthalene-8-sulfonic acid | 8-Anilino-1...)
Show SMILES OS(=O)(=O)c1cccc2cccc(Nc3ccccc3)c12
Show InChI InChI=1S/C16H13NO3S/c18-21(19,20)15-11-5-7-12-6-4-10-14(16(12)15)17-13-8-2-1-3-9-13/h1-11,17H,(H,18,19,20)
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2.00E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of choline acetyltransferase isolated from squid head ganglia


Citation and Details
More data for this
Ligand-Target Pair
Fatty acid-binding protein 5 (FABP5)(NLSm)


(Homo sapiens (Human))
BDBM60927
PNG
(1-anilinonaphthalene-8-sulfonic acid | 8-Anilino-1...)
Show SMILES OS(=O)(=O)c1cccc2cccc(Nc3ccccc3)c12
Show InChI InChI=1S/C16H13NO3S/c18-21(19,20)15-11-5-7-12-6-4-10-14(16(12)15)17-13-8-2-1-3-9-13/h1-11,17H,(H,18,19,20)
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n/an/an/a 1.26E+4n/an/an/an/an/a



Emory University School of Medicine



Assay Description
In brief, both wild-type and mutant hFABP5 were expressed and purified to homogeneity as described above and dialyzed in PBS (pH 8.2). Binding affini...


J Biol Chem 289: 14941-54 (2014)

More data for this
Ligand-Target Pair
Fatty acid-binding protein 5 (FABP5)(DSm)


(Homo sapiens (Human))
BDBM60927
PNG
(1-anilinonaphthalene-8-sulfonic acid | 8-Anilino-1...)
Show SMILES OS(=O)(=O)c1cccc2cccc(Nc3ccccc3)c12
Show InChI InChI=1S/C16H13NO3S/c18-21(19,20)15-11-5-7-12-6-4-10-14(16(12)15)17-13-8-2-1-3-9-13/h1-11,17H,(H,18,19,20)
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n/an/an/a 6.10E+3n/an/an/an/an/a



Emory University School of Medicine



Assay Description
In brief, both wild-type and mutant hFABP5 were expressed and purified to homogeneity as described above and dialyzed in PBS (pH 8.2). Binding affini...


J Biol Chem 289: 14941-54 (2014)

More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM60927
PNG
(1-anilinonaphthalene-8-sulfonic acid | 8-Anilino-1...)
Show SMILES OS(=O)(=O)c1cccc2cccc(Nc3ccccc3)c12
Show InChI InChI=1S/C16H13NO3S/c18-21(19,20)15-11-5-7-12-6-4-10-14(16(12)15)17-13-8-2-1-3-9-13/h1-11,17H,(H,18,19,20)
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n/an/an/a 150n/an/an/an/an/a



Bristol Myers-Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to aFABP


Bioorg Med Chem Lett 17: 3511-5 (2007)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
TTR


(Homo sapiens (Human))
BDBM60927
PNG
(1-anilinonaphthalene-8-sulfonic acid | 8-Anilino-1...)
Show SMILES OS(=O)(=O)c1cccc2cccc(Nc3ccccc3)c12
Show InChI InChI=1S/C16H13NO3S/c18-21(19,20)15-11-5-7-12-6-4-10-14(16(12)15)17-13-8-2-1-3-9-13/h1-11,17H,(H,18,19,20)
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n/an/an/a 1.10E+3n/an/an/an/an/a



Universidade Federal do Rio de Janeiro

Curated by ChEMBL


Assay Description
Binding affinity to wild type human TTR denominated hormone binding site expressed in Escherichia coli assessed as dissociation constant for first li...


Bioorg Med Chem 18: 100-10 (2010)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
TTR


(Homo sapiens (Human))
BDBM60927
PNG
(1-anilinonaphthalene-8-sulfonic acid | 8-Anilino-1...)
Show SMILES OS(=O)(=O)c1cccc2cccc(Nc3ccccc3)c12
Show InChI InChI=1S/C16H13NO3S/c18-21(19,20)15-11-5-7-12-6-4-10-14(16(12)15)17-13-8-2-1-3-9-13/h1-11,17H,(H,18,19,20)
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n/an/an/a 4.80E+3n/an/an/an/an/a



Universidade Federal do Rio de Janeiro

Curated by ChEMBL


Assay Description
Binding affinity to wild type human TTR denominated hormone binding site expressed in Escherichia coli assessed as dissociation constant for second l...


Bioorg Med Chem 18: 100-10 (2010)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
TTR


(Homo sapiens (Human))
BDBM60927
PNG
(1-anilinonaphthalene-8-sulfonic acid | 8-Anilino-1...)
Show SMILES OS(=O)(=O)c1cccc2cccc(Nc3ccccc3)c12
Show InChI InChI=1S/C16H13NO3S/c18-21(19,20)15-11-5-7-12-6-4-10-14(16(12)15)17-13-8-2-1-3-9-13/h1-11,17H,(H,18,19,20)
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n/an/an/a 1.80E+3n/an/an/an/an/a



Universidade Federal do Rio de Janeiro

Curated by ChEMBL


Assay Description
Binding affinity to wild type human TTR denominated hormone binding site expressed in Escherichia coli by equilibrium dialysis


Bioorg Med Chem 18: 100-10 (2010)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
TTR


(Homo sapiens (Human))
BDBM60927
PNG
(1-anilinonaphthalene-8-sulfonic acid | 8-Anilino-1...)
Show SMILES OS(=O)(=O)c1cccc2cccc(Nc3ccccc3)c12
Show InChI InChI=1S/C16H13NO3S/c18-21(19,20)15-11-5-7-12-6-4-10-14(16(12)15)17-13-8-2-1-3-9-13/h1-11,17H,(H,18,19,20)
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n/an/an/a 1.00E+4n/an/an/an/an/a



Universidade Federal do Rio de Janeiro

Curated by ChEMBL


Assay Description
Binding affinity to wild type human TTR denominated hormone binding site expressed in Escherichia coli by direct fluorescence titration method


Bioorg Med Chem 18: 100-10 (2010)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
TTR


(Homo sapiens (Human))
BDBM60927
PNG
(1-anilinonaphthalene-8-sulfonic acid | 8-Anilino-1...)
Show SMILES OS(=O)(=O)c1cccc2cccc(Nc3ccccc3)c12
Show InChI InChI=1S/C16H13NO3S/c18-21(19,20)15-11-5-7-12-6-4-10-14(16(12)15)17-13-8-2-1-3-9-13/h1-11,17H,(H,18,19,20)
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n/an/an/a 1.10E+3n/an/an/an/an/a



Universidade Federal do Rio de Janeiro

Curated by ChEMBL


Assay Description
Binding affinity to wild type human TTR denominated hormone binding site expressed in Escherichia coli assessed as dissociation constant for first li...


Bioorg Med Chem 18: 100-10 (2010)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
TTR


(Homo sapiens (Human))
BDBM60927
PNG
(1-anilinonaphthalene-8-sulfonic acid | 8-Anilino-1...)
Show SMILES OS(=O)(=O)c1cccc2cccc(Nc3ccccc3)c12
Show InChI InChI=1S/C16H13NO3S/c18-21(19,20)15-11-5-7-12-6-4-10-14(16(12)15)17-13-8-2-1-3-9-13/h1-11,17H,(H,18,19,20)
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n/an/an/a 4.80E+3n/an/an/an/an/a



Universidade Federal do Rio de Janeiro

Curated by ChEMBL


Assay Description
Binding affinity to wild type human TTR denominated hormone binding site expressed in Escherichia coli assessed as dissociation constant for second l...


Bioorg Med Chem 18: 100-10 (2010)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
TTR


(Homo sapiens (Human))
BDBM60927
PNG
(1-anilinonaphthalene-8-sulfonic acid | 8-Anilino-1...)
Show SMILES OS(=O)(=O)c1cccc2cccc(Nc3ccccc3)c12
Show InChI InChI=1S/C16H13NO3S/c18-21(19,20)15-11-5-7-12-6-4-10-14(16(12)15)17-13-8-2-1-3-9-13/h1-11,17H,(H,18,19,20)
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n/an/an/a 4.30E+3n/an/an/an/an/a



Universidade Federal do Rio de Janeiro

Curated by ChEMBL


Assay Description
Binding affinity to wild type human TTR denominated hormone binding site expressed in Escherichia coli by isothermal direct titrimetric assay


Bioorg Med Chem 18: 100-10 (2010)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-dependent kinase 2


(Homo sapiens (human))
BDBM60927
PNG
(1-anilinonaphthalene-8-sulfonic acid | 8-Anilino-1...)
Show SMILES OS(=O)(=O)c1cccc2cccc(Nc3ccccc3)c12
Show InChI InChI=1S/C16H13NO3S/c18-21(19,20)15-11-5-7-12-6-4-10-14(16(12)15)17-13-8-2-1-3-9-13/h1-11,17H,(H,18,19,20)
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n/an/an/a 3.70E+4n/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity to human Cdk2 by fluorescence spectroscopy


Bioorg Med Chem 19: 6743-9 (2011)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-lactamase AmpC


(Escherichia coli)
BDBM60927
PNG
(1-anilinonaphthalene-8-sulfonic acid | 8-Anilino-1...)
Show SMILES OS(=O)(=O)c1cccc2cccc(Nc3ccccc3)c12
Show InChI InChI=1S/C16H13NO3S/c18-21(19,20)15-11-5-7-12-6-4-10-14(16(12)15)17-13-8-2-1-3-9-13/h1-11,17H,(H,18,19,20)
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n/an/a>1.60E+6n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibitory activity against beta-lactamase in the presence of 5 mM KPi concentration of buffer


Citation and Details
More data for this
Ligand-Target Pair
Beta-lactamase AmpC


(Escherichia coli)
BDBM60927
PNG
(1-anilinonaphthalene-8-sulfonic acid | 8-Anilino-1...)
Show SMILES OS(=O)(=O)c1cccc2cccc(Nc3ccccc3)c12
Show InChI InChI=1S/C16H13NO3S/c18-21(19,20)15-11-5-7-12-6-4-10-14(16(12)15)17-13-8-2-1-3-9-13/h1-11,17H,(H,18,19,20)
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n/an/a>1.60E+6n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibitory activity against beta-lactamase


Citation and Details
More data for this
Ligand-Target Pair
Beta-lactamase AmpC


(Escherichia coli)
BDBM60927
PNG
(1-anilinonaphthalene-8-sulfonic acid | 8-Anilino-1...)
Show SMILES OS(=O)(=O)c1cccc2cccc(Nc3ccccc3)c12
Show InChI InChI=1S/C16H13NO3S/c18-21(19,20)15-11-5-7-12-6-4-10-14(16(12)15)17-13-8-2-1-3-9-13/h1-11,17H,(H,18,19,20)
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n/an/a>1.60E+6n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibitory activity against beta-lactamase in the presence of 50 mM KPi concentration of buffer


Citation and Details
More data for this
Ligand-Target Pair
Fatty acid-binding protein 5 (FABP5)


(Homo sapiens (Human))
BDBM60927
PNG
(1-anilinonaphthalene-8-sulfonic acid | 8-Anilino-1...)
Show SMILES OS(=O)(=O)c1cccc2cccc(Nc3ccccc3)c12
Show InChI InChI=1S/C16H13NO3S/c18-21(19,20)15-11-5-7-12-6-4-10-14(16(12)15)17-13-8-2-1-3-9-13/h1-11,17H,(H,18,19,20)
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n/an/an/a 6.57E+3n/an/an/an/an/a



Emory University School of Medicine



Assay Description
In brief, both wild-type and mutant hFABP5 were expressed and purified to homogeneity as described above and dialyzed in PBS (pH 8.2). Binding affini...


J Biol Chem 289: 14941-54 (2014)

More data for this
Ligand-Target Pair
Fatty acid-binding protein 5 (FABP5)


(Mus musculus (Mouse))
BDBM60927
PNG
(1-anilinonaphthalene-8-sulfonic acid | 8-Anilino-1...)
Show SMILES OS(=O)(=O)c1cccc2cccc(Nc3ccccc3)c12
Show InChI InChI=1S/C16H13NO3S/c18-21(19,20)15-11-5-7-12-6-4-10-14(16(12)15)17-13-8-2-1-3-9-13/h1-11,17H,(H,18,19,20)
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n/an/an/a 70n/an/an/an/an/a



Case Western Reserve University School of Medicine



Assay Description
The method entails two steps [Lin et al., Biochemistry, 38:185-190]. In the first step, the Kd for association of FABP5 with the fluorescent lipid pr...


J Biol Chem 289: 12748-58 (2014)

More data for this
Ligand-Target Pair
Beta-lactamase AmpC


(Escherichia coli)
BDBM60927
PNG
(1-anilinonaphthalene-8-sulfonic acid | 8-Anilino-1...)
Show SMILES OS(=O)(=O)c1cccc2cccc(Nc3ccccc3)c12
Show InChI InChI=1S/C16H13NO3S/c18-21(19,20)15-11-5-7-12-6-4-10-14(16(12)15)17-13-8-2-1-3-9-13/h1-11,17H,(H,18,19,20)
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n/an/a>1.60E+6n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibitory activity against beta-lactamase in the presence of 500 mMKPi concentration of buffer


Citation and Details
More data for this
Ligand-Target Pair
Intestinal fatty acid-binding protein (hIFABP)


(Homo sapiens (Human))
BDBM60927
PNG
(1-anilinonaphthalene-8-sulfonic acid | 8-Anilino-1...)
Show SMILES OS(=O)(=O)c1cccc2cccc(Nc3ccccc3)c12
Show InChI InChI=1S/C16H13NO3S/c18-21(19,20)15-11-5-7-12-6-4-10-14(16(12)15)17-13-8-2-1-3-9-13/h1-11,17H,(H,18,19,20)
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n/an/an/a 1.33E+4n/an/an/a8.037



Monash University



Assay Description
ITC experiments were carried out using an iTC200 microcalorimeter (MicroCal) with coin shaped sample cell (200 μL) at 37 C with stirring at 1000...


ACS Chem Biol 9: 2526-34 (2014)

More data for this
Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 60927
Cell (A)Syringe (B)Cell
Links
Syringe
Links
Cell + Syr
Links
ΔG°
kcal/mole
-TΔS°
kcal/mole
ΔH°
kcal/mole
log KpHTemp
°C
Intestinal fatty acid-binding protein (hIFABP)

(Homo sapiens (Human))
BDBM60927
JPEG
(1-anilinonaphthalene-8-sulfonic acid | 8-Anilino-1...)
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-6.95-3.27-3.654.90837



Monash University





ACS Chem Biol 9: 2526-34 (2014)