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PDB code 1MUX

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 4 hits Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
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
Calmodulin

  (148/148 = 100%)
(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)
Calmodulin

  (148/148 = 100%)
(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)
Calmodulin

  (148/148 = 100%)
(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

  (148/148 = 100%)
(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)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output