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BDBM50111446 5-Chloro-naphthalene-1-sulfonic acid (6-amino-hexyl)-amide::CHEMBL41631::N-(6-AMINOHEXYL)-5-CHLORO-1-NAPHTHALENESULFONAMIDE::N-(6-aminohexyl)-5-chloronaphthalene-1-sulfonamide

SMILES: NCCCCCCNS(=O)(=O)c1cccc2c(Cl)cccc12

InChI Key: InChIKey=IDEHCMNLNCJQST-UHFFFAOYSA-N

Data: 1 KI  3 IC50  2 Kd  1 EC50

PDB links: 3 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 7 hits for monomerid = 50111446   
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
Myosin light chain kinase, smooth muscle


(Homo sapiens (Human))
BDBM50111446
PNG
(5-Chloro-naphthalene-1-sulfonic acid (6-amino-hexy...)
Show SMILES NCCCCCCNS(=O)(=O)c1cccc2c(Cl)cccc12
Show InChI InChI=1S/C16H21ClN2O2S/c17-15-9-5-8-14-13(15)7-6-10-16(14)22(20,21)19-12-4-2-1-3-11-18/h5-10,19H,1-4,11-12,18H2
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Article
PubMed
1.10E+5n/an/an/an/an/an/an/an/a



Chemical Genomics Centre of the Max Planck Society

Curated by ChEMBL


Assay Description
Inhibition of MLCK by HTRF assay


Bioorg Med Chem 19: 429-39 (2011)


Article DOI: 10.1016/j.bmc.2010.11.007
BindingDB Entry DOI: 10.7270/Q22F7NQN
More data for this
Ligand-Target Pair
Calmodulin


(Bos taurus)
BDBM50111446
PNG
(5-Chloro-naphthalene-1-sulfonic acid (6-amino-hexy...)
Show SMILES NCCCCCCNS(=O)(=O)c1cccc2c(Cl)cccc12
Show InChI InChI=1S/C16H21ClN2O2S/c17-15-9-5-8-14-13(15)7-6-10-16(14)22(20,21)19-12-4-2-1-3-11-18/h5-10,19H,1-4,11-12,18H2
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n/an/an/a 7.20E+3n/an/an/an/an/a



Universit£ degli Studi di Bari 'Aldo Moro'

Curated by ChEMBL


Assay Description
Binding affinity to dansylated bovine testes CaM by fluorescence analysis in presence of calcium2+


Eur J Med Chem 116: 36-45 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.045
BindingDB Entry DOI: 10.7270/Q2Q2424Z
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sodium channel protein type I I alpha subunit


(Homo sapiens (Human))
BDBM50111446
PNG
(5-Chloro-naphthalene-1-sulfonic acid (6-amino-hexy...)
Show SMILES NCCCCCCNS(=O)(=O)c1cccc2c(Cl)cccc12
Show InChI InChI=1S/C16H21ClN2O2S/c17-15-9-5-8-14-13(15)7-6-10-16(14)22(20,21)19-12-4-2-1-3-11-18/h5-10,19H,1-4,11-12,18H2
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n/an/a 1.20E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea...


J Med Chem 28: 381-8 (1985)


Article DOI: 10.1021/jm00381a019
More data for this
Ligand-Target Pair
Calmodulin


(Bos taurus)
BDBM50111446
PNG
(5-Chloro-naphthalene-1-sulfonic acid (6-amino-hexy...)
Show SMILES NCCCCCCNS(=O)(=O)c1cccc2c(Cl)cccc12
Show InChI InChI=1S/C16H21ClN2O2S/c17-15-9-5-8-14-13(15)7-6-10-16(14)22(20,21)19-12-4-2-1-3-11-18/h5-10,19H,1-4,11-12,18H2
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n/an/an/an/a 7.20E+3n/an/an/an/a



Universit£ degli Studi di Bari 'Aldo Moro'

Curated by ChEMBL


Assay Description
Binding affinity to dansylated bovine brain CaM assessed as half maximal increase in fluorescence by fluorescence analysis


Eur J Med Chem 116: 36-45 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.045
BindingDB Entry DOI: 10.7270/Q2Q2424Z
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein kinase Pfmrk


(Plasmodium falciparum)
BDBM50111446
PNG
(5-Chloro-naphthalene-1-sulfonic acid (6-amino-hexy...)
Show SMILES NCCCCCCNS(=O)(=O)c1cccc2c(Cl)cccc12
Show InChI InChI=1S/C16H21ClN2O2S/c17-15-9-5-8-14-13(15)7-6-10-16(14)22(20,21)19-12-4-2-1-3-11-18/h5-10,19H,1-4,11-12,18H2
UniProtKB/TrEMBL

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n/an/a>5.00E+5n/an/an/an/an/an/a



Institute of Research

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum Pfmrk


Bioorg Med Chem Lett 17: 4961-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.032
BindingDB Entry DOI: 10.7270/Q2GX4CC8
More data for this
Ligand-Target Pair
Calmodulin


(Bos taurus)
BDBM50111446
PNG
(5-Chloro-naphthalene-1-sulfonic acid (6-amino-hexy...)
Show SMILES NCCCCCCNS(=O)(=O)c1cccc2c(Cl)cccc12
Show InChI InChI=1S/C16H21ClN2O2S/c17-15-9-5-8-14-13(15)7-6-10-16(14)22(20,21)19-12-4-2-1-3-11-18/h5-10,19H,1-4,11-12,18H2
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n/an/an/a 1.20E+4n/an/an/an/an/a



Universit£ degli Studi di Bari 'Aldo Moro'

Curated by ChEMBL


Assay Description
Binding affinity to bovine brain CaM by FTPFACE analysis


Eur J Med Chem 116: 36-45 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.045
BindingDB Entry DOI: 10.7270/Q2Q2424Z
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Calmodulin


(Bos taurus)
BDBM50111446
PNG
(5-Chloro-naphthalene-1-sulfonic acid (6-amino-hexy...)
Show SMILES NCCCCCCNS(=O)(=O)c1cccc2c(Cl)cccc12
Show InChI InChI=1S/C16H21ClN2O2S/c17-15-9-5-8-14-13(15)7-6-10-16(14)22(20,21)19-12-4-2-1-3-11-18/h5-10,19H,1-4,11-12,18H2
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n/an/a 1.36E+4n/an/an/an/an/an/a



Universit£ degli Studi di Bari 'Aldo Moro'

Curated by ChEMBL


Assay Description
Displacement of [3H] ifenprodil from bovine CaM-agarose incubated for 30 mins by liquid scintillation spectrometric analysis


Eur J Med Chem 116: 36-45 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.045
BindingDB Entry DOI: 10.7270/Q2Q2424Z
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)