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Compile Data Set for Download or QSAR

Found 52 hits with Last Name = 'ferguson' and Initial = 'g'   
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
Dynamin-1


(Homo sapiens (Human))
BDBM50147563
PNG
(CHEMBL109458 | Trimethyl-octadecyl-ammonium; bromi...)
Show SMILES CCCCCCCCCCCCCCCCCC[N+](C)(C)C
Show InChI InChI=1S/C21H46N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2,3)4/h5-21H2,1-4H3/q+1
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n/an/a 3.15E+3n/an/an/an/an/an/a



The University of Newcastle

Curated by ChEMBL


Assay Description
Concentration required against dynamin-1 GTPase activity of sheep brain.


Bioorg Med Chem Lett 14: 3275-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.096
BindingDB Entry DOI: 10.7270/Q27M07CT
More data for this
Ligand-Target Pair
Dynamin-1


(Homo sapiens (Human))
BDBM58941
PNG
(CHEMBL307346 | Hexadecyltrimethylammonium hydroxid...)
Show SMILES CCCCCCCCCCCCCCCC[N+](C)(C)C
Show InChI InChI=1S/C19H42N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4/h5-19H2,1-4H3/q+1
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n/an/a 4.37E+3n/an/an/an/an/an/a



The University of Newcastle

Curated by ChEMBL


Assay Description
Concentration required against dynamin-1 GTPase activity of sheep brain.


Bioorg Med Chem Lett 14: 3275-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.096
BindingDB Entry DOI: 10.7270/Q27M07CT
More data for this
Ligand-Target Pair
Dynamin-1


(Homo sapiens (Human))
BDBM50060597
PNG
(CHEMBL109747 | CHEMBL113150 | CHEMBL325636 | Cetri...)
Show SMILES CCCCCCCCCCCCCC[N+](C)(C)C
Show InChI InChI=1S/C17H38N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2,3)4/h5-17H2,1-4H3/q+1
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n/an/a 5.79E+3n/an/an/an/an/an/a



The University of Newcastle

Curated by ChEMBL


Assay Description
Concentration required against dynamin-1 GTPase activity of sheep brain.


Bioorg Med Chem Lett 14: 3275-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.096
BindingDB Entry DOI: 10.7270/Q27M07CT
More data for this
Ligand-Target Pair
Dynamin-1


(Homo sapiens (Human))
BDBM50147557
PNG
(2-Tetradecyloxy-propane-1,3-diammonium chloride | ...)
Show SMILES CCCCCCCCCCCCCCOC(C[NH3+])C[NH3+]
Show InChI InChI=1S/C17H38N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-17(15-18)16-19/h17H,2-16,18-19H2,1H3/p+2
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n/an/a 7.37E+3n/an/an/an/an/an/a



The University of Newcastle

Curated by ChEMBL


Assay Description
Concentration required against dynamin-1 GTPase activity of sheep brain.


Bioorg Med Chem Lett 14: 3275-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.096
BindingDB Entry DOI: 10.7270/Q27M07CT
More data for this
Ligand-Target Pair
Dynamin-1


(Homo sapiens (Human))
BDBM50147573
PNG
(CHEMBL112857 | Tridecanoic acid (3-dimethylamino-p...)
Show SMILES CCCCCCCCCCCCC(=O)NCCCN(C)C
Show InChI InChI=1S/C18H38N2O/c1-4-5-6-7-8-9-10-11-12-13-15-18(21)19-16-14-17-20(2)3/h4-17H2,1-3H3,(H,19,21)
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n/an/a 7.75E+3n/an/an/an/an/an/a



The University of Newcastle

Curated by ChEMBL


Assay Description
Concentration required against dynamin-1 GTPase activity of sheep brain.


Bioorg Med Chem Lett 14: 3275-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.096
BindingDB Entry DOI: 10.7270/Q27M07CT
More data for this
Ligand-Target Pair
Dynamin-1


(Homo sapiens (Human))
BDBM50147576
PNG
(Butyl-dimethyl-tetradecyl-ammonium; bromide | CHEM...)
Show SMILES CCCCCCCCCCCCCC[N+](C)(C)CCCC
Show InChI InChI=1S/C20H44N/c1-5-7-9-10-11-12-13-14-15-16-17-18-20-21(3,4)19-8-6-2/h5-20H2,1-4H3/q+1
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n/an/a 8.02E+3n/an/an/an/an/an/a



The University of Newcastle

Curated by ChEMBL


Assay Description
Concentration required against dynamin-1 GTPase activity of sheep brain.


Bioorg Med Chem Lett 14: 3275-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.096
BindingDB Entry DOI: 10.7270/Q27M07CT
More data for this
Ligand-Target Pair
Dynamin-1


(Homo sapiens (Human))
BDBM50060597
PNG
(CHEMBL109747 | CHEMBL113150 | CHEMBL325636 | Cetri...)
Show SMILES CCCCCCCCCCCCCC[N+](C)(C)C
Show InChI InChI=1S/C17H38N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2,3)4/h5-17H2,1-4H3/q+1
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n/an/a 8.15E+3n/an/an/an/an/an/a



The University of Newcastle

Curated by ChEMBL


Assay Description
Concentration required against dynamin-1 GTPase activity of sheep brain.


Bioorg Med Chem Lett 14: 3275-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.096
BindingDB Entry DOI: 10.7270/Q27M07CT
More data for this
Ligand-Target Pair
Dynamin-1


(Homo sapiens (Human))
BDBM50147577
PNG
(CHEMBL109914 | Triethyl-tetradecyl-ammonium; bromi...)
Show SMILES CCCCCCCCCCCCCC[N+](CC)(CC)CC
Show InChI InChI=1S/C20H44N/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-21(6-2,7-3)8-4/h5-20H2,1-4H3/q+1
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n/an/a 8.45E+3n/an/an/an/an/an/a



The University of Newcastle

Curated by ChEMBL


Assay Description
Concentration required against dynamin-1 GTPase activity of sheep brain.


Bioorg Med Chem Lett 14: 3275-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.096
BindingDB Entry DOI: 10.7270/Q27M07CT
More data for this
Ligand-Target Pair
Dynamin-1


(Homo sapiens (Human))
BDBM50147559
PNG
(CHEMBL110310 | CHEMBL325871 | Tetradecyl-ammonium;...)
Show SMILES CCCCCCCCCCCCCC[NH3+]
Show InChI InChI=1S/C14H31N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2-15H2,1H3/p+1
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n/an/a 8.74E+3n/an/an/an/an/an/a



The University of Newcastle

Curated by ChEMBL


Assay Description
Concentration required against dynamin-1 GTPase activity of sheep brain.


Bioorg Med Chem Lett 14: 3275-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.096
BindingDB Entry DOI: 10.7270/Q27M07CT
More data for this
Ligand-Target Pair
Dynamin-1


(Homo sapiens (Human))
BDBM50147572
PNG
(CHEMBL321384 | Tridecanoic acid (2-dimethylamino-e...)
Show SMILES CCCCCCCCCCCCC(=O)NCCN(C)C
Show InChI InChI=1S/C17H36N2O/c1-4-5-6-7-8-9-10-11-12-13-14-17(20)18-15-16-19(2)3/h4-16H2,1-3H3,(H,18,20)
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n/an/a 8.85E+3n/an/an/an/an/an/a



The University of Newcastle

Curated by ChEMBL


Assay Description
Concentration required against dynamin-1 GTPase activity of sheep brain.


Bioorg Med Chem Lett 14: 3275-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.096
BindingDB Entry DOI: 10.7270/Q27M07CT
More data for this
Ligand-Target Pair
Dynamin-1


(Homo sapiens (Human))
BDBM50147553
PNG
(CHEMBL109566 | Dimethyl-propyl-tetradecyl-ammonium...)
Show SMILES CCCCCCCCCCCCCC[N+](C)(C)CCC
Show InChI InChI=1S/C19H42N/c1-5-7-8-9-10-11-12-13-14-15-16-17-19-20(3,4)18-6-2/h5-19H2,1-4H3/q+1
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n/an/a 8.85E+3n/an/an/an/an/an/a



The University of Newcastle

Curated by ChEMBL


Assay Description
Concentration required against dynamin-1 GTPase activity of sheep brain.


Bioorg Med Chem Lett 14: 3275-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.096
BindingDB Entry DOI: 10.7270/Q27M07CT
More data for this
Ligand-Target Pair
Dynamin-1


(Homo sapiens (Human))
BDBM50060550
PNG
((2-Hydroxy-ethyl)-dimethyl-tetradecyl-ammonium; br...)
Show SMILES CCCCCCCCCCCCCC[N+](C)(C)CCO
Show InChI InChI=1S/C18H40NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19(2,3)17-18-20/h20H,4-18H2,1-3H3/q+1
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n/an/a 9.36E+3n/an/an/an/an/an/a



The University of Newcastle

Curated by ChEMBL


Assay Description
Concentration required against dynamin-1 GTPase activity of sheep brain.


Bioorg Med Chem Lett 14: 3275-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.096
BindingDB Entry DOI: 10.7270/Q27M07CT
More data for this
Ligand-Target Pair
Dynamin-1


(Homo sapiens (Human))
BDBM50084931
PNG
(CHEMBL110737 | Triethyl-hexadecyl-ammonium; bromid...)
Show SMILES CCCCCCCCCCCCCCCC[N+](CC)(CC)CC
Show InChI InChI=1S/C22H48N/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(6-2,7-3)8-4/h5-22H2,1-4H3/q+1
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n/an/a 9.62E+3n/an/an/an/an/an/a



The University of Newcastle

Curated by ChEMBL


Assay Description
Concentration required against dynamin-1 GTPase activity of sheep brain.


Bioorg Med Chem Lett 14: 3275-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.096
BindingDB Entry DOI: 10.7270/Q27M07CT
More data for this
Ligand-Target Pair
Dynamin-1


(Homo sapiens (Human))
BDBM50060597
PNG
(CHEMBL109747 | CHEMBL113150 | CHEMBL325636 | Cetri...)
Show SMILES CCCCCCCCCCCCCC[N+](C)(C)C
Show InChI InChI=1S/C17H38N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2,3)4/h5-17H2,1-4H3/q+1
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n/an/a 9.68E+3n/an/an/an/an/an/a



The University of Newcastle

Curated by ChEMBL


Assay Description
Concentration required against dynamin-1 GTPase activity of sheep brain.


Bioorg Med Chem Lett 14: 3275-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.096
BindingDB Entry DOI: 10.7270/Q27M07CT
More data for this
Ligand-Target Pair
Dynamin-1


(Homo sapiens (Human))
BDBM50060580
PNG
(CHEMBL324402 | Dodecyl-ethyl-dimethyl-ammonium; br...)
Show SMILES CCCCCCCCCCCC[N+](C)(C)CC
Show InChI InChI=1S/C16H36N/c1-5-7-8-9-10-11-12-13-14-15-16-17(3,4)6-2/h5-16H2,1-4H3/q+1
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n/an/a 1.01E+4n/an/an/an/an/an/a



The University of Newcastle

Curated by ChEMBL


Assay Description
Concentration required against dynamin-1 GTPase activity of sheep brain.


Bioorg Med Chem Lett 14: 3275-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.096
BindingDB Entry DOI: 10.7270/Q27M07CT
More data for this
Ligand-Target Pair
Dynamin-1


(Homo sapiens (Human))
BDBM50147569
PNG
(CHEMBL112909 | Tetradecanoic acid (2-amino-1-amino...)
Show SMILES CCCCCCCCCCCCCC(=O)NC(C[NH3+])C[NH3+]
Show InChI InChI=1S/C17H37N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(21)20-16(14-18)15-19/h16H,2-15,18-19H2,1H3,(H,20,21)/p+2
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n/an/a 1.02E+4n/an/an/an/an/an/a



The University of Newcastle

Curated by ChEMBL


Assay Description
Concentration required against dynamin-1 GTPase activity of sheep brain.


Bioorg Med Chem Lett 14: 3275-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.096
BindingDB Entry DOI: 10.7270/Q27M07CT
More data for this
Ligand-Target Pair
Dynamin-1


(Homo sapiens (Human))
BDBM50147565
PNG
(CHEMBL110738 | Tributyl-hexadecyl-phosphonium; bro...)
Show SMILES CCCCCCCCCCCCCCCC[P+](CCCC)(CCCC)CCCC
Show InChI InChI=1S/C28H60P/c1-5-9-13-14-15-16-17-18-19-20-21-22-23-24-28-29(25-10-6-2,26-11-7-3)27-12-8-4/h5-28H2,1-4H3/q+1
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n/an/a 1.02E+4n/an/an/an/an/an/a



The University of Newcastle

Curated by ChEMBL


Assay Description
Concentration required against dynamin-1 GTPase activity of sheep brain.


Bioorg Med Chem Lett 14: 3275-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.096
BindingDB Entry DOI: 10.7270/Q27M07CT
More data for this
Ligand-Target Pair
Dynamin-1


(Homo sapiens (Human))
BDBM50147554
PNG
(CHEMBL109904 | Dodecylamine)
Show SMILES CCCCCCCCCCCCN
Show InChI InChI=1S/C12H27N/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-13H2,1H3
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n/an/a 1.29E+4n/an/an/an/an/an/a



The University of Newcastle

Curated by ChEMBL


Assay Description
Concentration required against dynamin-1 GTPase activity of sheep brain.


Bioorg Med Chem Lett 14: 3275-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.096
BindingDB Entry DOI: 10.7270/Q27M07CT
More data for this
Ligand-Target Pair
Dynamin-1


(Homo sapiens (Human))
BDBM50147570
PNG
(CHEMBL109737 | Dodecyl-dimethyl-amine | N,N-dimeth...)
Show SMILES CCCCCCCCCCCCN(C)C
Show InChI InChI=1S/C14H31N/c1-4-5-6-7-8-9-10-11-12-13-14-15(2)3/h4-14H2,1-3H3
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n/an/a 1.48E+4n/an/an/an/an/an/a



The University of Newcastle

Curated by ChEMBL


Assay Description
Concentration required against dynamin-1 GTPase activity of sheep brain.


Bioorg Med Chem Lett 14: 3275-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.096
BindingDB Entry DOI: 10.7270/Q27M07CT
More data for this
Ligand-Target Pair
Dynamin-1


(Homo sapiens (Human))
BDBM50147559
PNG
(CHEMBL110310 | CHEMBL325871 | Tetradecyl-ammonium;...)
Show SMILES CCCCCCCCCCCCCC[NH3+]
Show InChI InChI=1S/C14H31N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2-15H2,1H3/p+1
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n/an/a 1.49E+4n/an/an/an/an/an/a



The University of Newcastle

Curated by ChEMBL


Assay Description
Concentration required against dynamin-1 GTPase activity of sheep brain.


Bioorg Med Chem Lett 14: 3275-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.096
BindingDB Entry DOI: 10.7270/Q27M07CT
More data for this
Ligand-Target Pair
Dynamin-1


(Homo sapiens (Human))
BDBM50060599
PNG
(CHEMBL109873 | Dodecyl-trimethyl-ammonium; bromide)
Show SMILES CCCCCCCCCCCC[N+](C)(C)C
Show InChI InChI=1S/C15H34N/c1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4/h5-15H2,1-4H3/q+1
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n/an/a 1.63E+4n/an/an/an/an/an/a



The University of Newcastle

Curated by ChEMBL


Assay Description
Concentration required against dynamin-1 GTPase activity of sheep brain.


Bioorg Med Chem Lett 14: 3275-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.096
BindingDB Entry DOI: 10.7270/Q27M07CT
More data for this
Ligand-Target Pair
Dynamin-1


(Homo sapiens (Human))
BDBM50147568
PNG
(CHEMBL113050 | Dodecyl-ammonium; chloride)
Show SMILES CCCCCCCCCCCC[NH3+]
Show InChI InChI=1S/C12H27N/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-13H2,1H3/p+1
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n/an/a 1.82E+4n/an/an/an/an/an/a



The University of Newcastle

Curated by ChEMBL


Assay Description
Concentration required against dynamin-1 GTPase activity of sheep brain.


Bioorg Med Chem Lett 14: 3275-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.096
BindingDB Entry DOI: 10.7270/Q27M07CT
More data for this
Ligand-Target Pair
Dynamin-1


(Homo sapiens (Human))
BDBM50147575
PNG
(Benzyl-dimethyl-tetradecyl-ammonium; bromide | CHE...)
Show SMILES CCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1
Show InChI InChI=1S/C23H42N/c1-4-5-6-7-8-9-10-11-12-13-14-18-21-24(2,3)22-23-19-16-15-17-20-23/h15-17,19-20H,4-14,18,21-22H2,1-3H3/q+1
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n/an/a 1.96E+4n/an/an/an/an/an/a



The University of Newcastle

Curated by ChEMBL


Assay Description
Concentration required against dynamin-1 GTPase activity of sheep brain.


Bioorg Med Chem Lett 14: 3275-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.096
BindingDB Entry DOI: 10.7270/Q27M07CT
More data for this
Ligand-Target Pair
Dynamin-1


(Homo sapiens (Human))
BDBM50147580
PNG
(CHEMBL110011 | Tetradecylamine)
Show SMILES CCCCCCCCCCCCCCN
Show InChI InChI=1S/C14H31N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2-15H2,1H3
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n/an/a 2.03E+4n/an/an/an/an/an/a



The University of Newcastle

Curated by ChEMBL


Assay Description
Concentration required against dynamin-1 GTPase activity of sheep brain.


Bioorg Med Chem Lett 14: 3275-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.096
BindingDB Entry DOI: 10.7270/Q27M07CT
More data for this
Ligand-Target Pair
Dynamin-1


(Homo sapiens (Human))
BDBM50147571
PNG
(CHEMBL113357 | Tridecanoic acid 2-dimethylamino-et...)
Show SMILES CCCCCCCCCCCCC(=O)OCCN(C)C
Show InChI InChI=1S/C17H35NO2/c1-4-5-6-7-8-9-10-11-12-13-14-17(19)20-16-15-18(2)3/h4-16H2,1-3H3
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n/an/a 2.30E+4n/an/an/an/an/an/a



The University of Newcastle

Curated by ChEMBL


Assay Description
Concentration required against dynamin-1 GTPase activity of sheep brain.


Bioorg Med Chem Lett 14: 3275-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.096
BindingDB Entry DOI: 10.7270/Q27M07CT
More data for this
Ligand-Target Pair
Dynamin-1


(Homo sapiens (Human))
BDBM50147579
PNG
(CHEMBL55860 | OCTADECYLAMINE | Stearamine)
Show SMILES CCCCCCCCCCCCCCCCCCN
Show InChI InChI=1S/C18H39N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-19H2,1H3
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n/an/a 2.82E+4n/an/an/an/an/an/a



The University of Newcastle

Curated by ChEMBL


Assay Description
Concentration required against dynamin-1 GTPase activity of sheep brain.


Bioorg Med Chem Lett 14: 3275-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.096
BindingDB Entry DOI: 10.7270/Q27M07CT
More data for this
Ligand-Target Pair
Dynamin-1


(Homo sapiens (Human))
BDBM50147552
PNG
(CHEMBL112826 | CHEMBL112888 | Dodecyl-dimethyl-amm...)
Show SMILES CCCCCCCCCCCC[NH+](C)C
Show InChI InChI=1S/C14H31N/c1-4-5-6-7-8-9-10-11-12-13-14-15(2)3/h4-14H2,1-3H3/p+1
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n/an/a 3.00E+4n/an/an/an/an/an/a



The University of Newcastle

Curated by ChEMBL


Assay Description
Concentration required against dynamin-1 GTPase activity of sheep brain.


Bioorg Med Chem Lett 14: 3275-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.096
BindingDB Entry DOI: 10.7270/Q27M07CT
More data for this
Ligand-Target Pair
Dynamin-1


(Homo sapiens (Human))
BDBM50147562
PNG
(CHEMBL114402 | CHEMBL331817 | Octadecyl-ammonium; ...)
Show SMILES CCCCCCCCCCCCCCCCCC[NH3+]
Show InChI InChI=1S/C18H39N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-19H2,1H3/p+1
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n/an/a 3.11E+4n/an/an/an/an/an/a



The University of Newcastle

Curated by ChEMBL


Assay Description
Concentration required against dynamin-1 GTPase activity of sheep brain.


Bioorg Med Chem Lett 14: 3275-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.096
BindingDB Entry DOI: 10.7270/Q27M07CT
More data for this
Ligand-Target Pair
Dynamin-1


(Homo sapiens (Human))
BDBM50147566
PNG
(CHEMBL109819 | Decylamine)
Show SMILES CCCCCCCCCCN
Show InChI InChI=1S/C10H23N/c1-2-3-4-5-6-7-8-9-10-11/h2-11H2,1H3
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n/an/a 3.35E+4n/an/an/an/an/an/a



The University of Newcastle

Curated by ChEMBL


Assay Description
Concentration required against dynamin-1 GTPase activity of sheep brain.


Bioorg Med Chem Lett 14: 3275-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.096
BindingDB Entry DOI: 10.7270/Q27M07CT
More data for this
Ligand-Target Pair
Dynamin-1


(Homo sapiens (Human))
BDBM50147552
PNG
(CHEMBL112826 | CHEMBL112888 | Dodecyl-dimethyl-amm...)
Show SMILES CCCCCCCCCCCC[NH+](C)C
Show InChI InChI=1S/C14H31N/c1-4-5-6-7-8-9-10-11-12-13-14-15(2)3/h4-14H2,1-3H3/p+1
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n/an/a 3.38E+4n/an/an/an/an/an/a



The University of Newcastle

Curated by ChEMBL


Assay Description
Concentration required against dynamin-1 GTPase activity of sheep brain.


Bioorg Med Chem Lett 14: 3275-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.096
BindingDB Entry DOI: 10.7270/Q27M07CT
More data for this
Ligand-Target Pair
Dynamin-1


(Homo sapiens (Human))
BDBM50147574
PNG
(1,12-diaminododecane | CHEMBL69590 | dodecane-1,12...)
Show SMILES NCCCCCCCCCCCCN
Show InChI InChI=1S/C12H28N2/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h1-14H2
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n/an/a 3.97E+4n/an/an/an/an/an/a



The University of Newcastle

Curated by ChEMBL


Assay Description
Concentration required against dynamin-1 GTPase activity of sheep brain.


Bioorg Med Chem Lett 14: 3275-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.096
BindingDB Entry DOI: 10.7270/Q27M07CT
More data for this
Ligand-Target Pair
Dynamin-1


(Homo sapiens (Human))
BDBM50147562
PNG
(CHEMBL114402 | CHEMBL331817 | Octadecyl-ammonium; ...)
Show SMILES CCCCCCCCCCCCCCCCCC[NH3+]
Show InChI InChI=1S/C18H39N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-19H2,1H3/p+1
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n/an/a>1.00E+5n/an/an/an/an/an/a



The University of Newcastle

Curated by ChEMBL


Assay Description
Concentration required against dynamin-1 GTPase activity of sheep brain.


Bioorg Med Chem Lett 14: 3275-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.096
BindingDB Entry DOI: 10.7270/Q27M07CT
More data for this
Ligand-Target Pair
Dynamin-1


(Homo sapiens (Human))
BDBM50147567
PNG
(CHEMBL110012 | Icosylamine)
Show SMILES CCCCCCCCCCCCCCCCCCCCN
Show InChI InChI=1S/C20H43N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21/h2-21H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



The University of Newcastle

Curated by ChEMBL


Assay Description
Concentration required against dynamin-1 GTPase activity of sheep brain.


Bioorg Med Chem Lett 14: 3275-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.096
BindingDB Entry DOI: 10.7270/Q27M07CT
More data for this
Ligand-Target Pair
Dynamin-1


(Homo sapiens (Human))
BDBM50147581
PNG
(1-tridecanecarboxylic acid | 14:0 | CH3-[CH2]12-CO...)
Show SMILES CCCCCCCCCCCCCC(O)=O
Show InChI InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)
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n/an/a>1.00E+5n/an/an/an/an/an/a



The University of Newcastle

Curated by ChEMBL


Assay Description
Concentration required against dynamin-1 GTPase activity of sheep brain.


Bioorg Med Chem Lett 14: 3275-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.096
BindingDB Entry DOI: 10.7270/Q27M07CT
More data for this
Ligand-Target Pair
Dynamin-1


(Homo sapiens (Human))
BDBM50147556
PNG
((6Z,8E,10E,14Z)-(5S,12R)-5,12-Dihydroxy-nonadeca-6...)
Show SMILES CCCC\C=C/C[C@@H](O)\C=C\C=C\C=C/[C@@H](O)CCCC(O)=O
Show InChI InChI=1S/C19H30O4/c1-2-3-4-5-8-12-17(20)13-9-6-7-10-14-18(21)15-11-16-19(22)23/h5-10,13-14,17-18,20-21H,2-4,11-12,15-16H2,1H3,(H,22,23)/b7-6+,8-5-,13-9+,14-10-/t17-,18-/m1/s1
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n/an/a>3.00E+5n/an/an/an/an/an/a



The University of Newcastle

Curated by ChEMBL


Assay Description
Concentration required against dynamin-1 GTPase activity of sheep brain; increased dynamin I GTPase activity at 30 uM.


Bioorg Med Chem Lett 14: 3275-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.096
BindingDB Entry DOI: 10.7270/Q27M07CT
More data for this
Ligand-Target Pair
Dynamin-1


(Homo sapiens (Human))
BDBM50147560
PNG
((5Z,8Z,11Z,14Z)-Nonadeca-5,8,11,14-tetraenoic acid...)
Show SMILES CCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCCF
Show InChI InChI=1S/C21H34FNO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(24)23-20-19-22/h5-6,8-9,11-12,14-15H,2-4,7,10,13,16-20H2,1H3,(H,23,24)/b6-5-,9-8-,12-11-,15-14-
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n/an/a>3.00E+5n/an/an/an/an/an/a



The University of Newcastle

Curated by ChEMBL


Assay Description
Concentration required against dynamin-1 GTPase activity of sheep brain.


Bioorg Med Chem Lett 14: 3275-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.096
BindingDB Entry DOI: 10.7270/Q27M07CT
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50253836
PNG
(CHEMBL462492 | Ethyl 5-amino-4-oxo-3-(4-(trifluoro...)
Show SMILES CCOC(=O)c1nn(-c2ccc(OS(=O)(=O)C(F)(F)F)cc2)c(=O)c2c(N)scc12
Show InChI InChI=1S/C16H12F3N3O6S2/c1-2-27-15(24)12-10-7-29-13(20)11(10)14(23)22(21-12)8-3-5-9(6-4-8)28-30(25,26)16(17,18)19/h3-7H,2,20H2,1H3
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n/an/an/an/a 4.90E+3n/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Modulation of human adenosine A1 receptor expressed in CHO-K1 cells assessed as allosteric effect on [125I]ABA dissociation


J Med Chem 51: 6165-72 (2008)


Article DOI: 10.1021/jm800557d
BindingDB Entry DOI: 10.7270/Q2930T0C
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50253835
PNG
(CHEMBL462281 | Ethyl 3-(4-Acetoxyphenyl)-5-amino-4...)
Show SMILES CCOC(=O)c1nn(-c2ccc(OC(C)=O)cc2)c(=O)c2c(N)scc12
Show InChI InChI=1S/C17H15N3O5S/c1-3-24-17(23)14-12-8-26-15(18)13(12)16(22)20(19-14)10-4-6-11(7-5-10)25-9(2)21/h4-8H,3,18H2,1-2H3
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n/an/an/an/a 2.50E+3n/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Modulation of human adenosine A1 receptor expressed in CHO-K1 cells assessed as allosteric effect on [125I]ABA dissociation


J Med Chem 51: 6165-72 (2008)


Article DOI: 10.1021/jm800557d
BindingDB Entry DOI: 10.7270/Q2930T0C
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50253834
PNG
(CHEMBL447654 | Ethyl 5-Amino-3-(4-nitrophenyl)-4-o...)
Show SMILES CCOC(=O)c1nn(-c2ccc(cc2)[N+]([O-])=O)c(=O)c2c(N)scc12
Show InChI InChI=1S/C15H12N4O5S/c1-2-24-15(21)12-10-7-25-13(16)11(10)14(20)18(17-12)8-3-5-9(6-4-8)19(22)23/h3-7H,2,16H2,1H3
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n/an/an/an/a 1.30E+4n/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Modulation of human adenosine A1 receptor expressed in CHO-K1 cells assessed as allosteric effect on [125I]ABA dissociation


J Med Chem 51: 6165-72 (2008)


Article DOI: 10.1021/jm800557d
BindingDB Entry DOI: 10.7270/Q2930T0C
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50253833
PNG
(CHEMBL517439 | Ethyl 5-Amino-4-oxo-3-(4-(trifluoro...)
Show SMILES CCOC(=O)c1nn(-c2ccc(cc2)C(F)(F)F)c(=O)c2c(N)scc12
Show InChI InChI=1S/C16H12F3N3O3S/c1-2-25-15(24)12-10-7-26-13(20)11(10)14(23)22(21-12)9-5-3-8(4-6-9)16(17,18)19/h3-7H,2,20H2,1H3
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n/an/an/an/a 8.40E+3n/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Modulation of human adenosine A1 receptor expressed in CHO-K1 cells assessed as allosteric effect on [125I]ABA dissociation


J Med Chem 51: 6165-72 (2008)


Article DOI: 10.1021/jm800557d
BindingDB Entry DOI: 10.7270/Q2930T0C
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50253832
PNG
(CHEMBL448624 | Ethyl 5-amino-3-(4-iodophenyl)-4-ox...)
Show SMILES CCOC(=O)c1nn(-c2ccc(I)cc2)c(=O)c2c(N)scc12
Show InChI InChI=1S/C15H12IN3O3S/c1-2-22-15(21)12-10-7-23-13(17)11(10)14(20)19(18-12)9-5-3-8(16)4-6-9/h3-7H,2,17H2,1H3
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n/an/an/an/a 7.10E+3n/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Modulation of human adenosine A1 receptor expressed in CHO-K1 cells assessed as allosteric effect on [125I]ABA dissociation


J Med Chem 51: 6165-72 (2008)


Article DOI: 10.1021/jm800557d
BindingDB Entry DOI: 10.7270/Q2930T0C
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50253796
PNG
(CHEMBL452468 | Ethyl 5-Amino-3-(4-hydroxyphenyl)-4...)
Show SMILES CCOC(=O)c1nn(-c2ccc(O)cc2)c(=O)c2c(N)scc12
Show InChI InChI=1S/C15H13N3O4S/c1-2-22-15(21)12-10-7-23-13(16)11(10)14(20)18(17-12)8-3-5-9(19)6-4-8/h3-7,19H,2,16H2,1H3
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n/an/an/an/a 7.10E+3n/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Modulation of human adenosine A1 receptor expressed in CHO-K1 cells assessed as allosteric effect on [125I]ABA dissociation


J Med Chem 51: 6165-72 (2008)


Article DOI: 10.1021/jm800557d
BindingDB Entry DOI: 10.7270/Q2930T0C
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50253795
PNG
(CHEMBL461646 | Ethyl 5-Amino-4-oxo-3-(3-(trifluoro...)
Show SMILES CCOC(=O)c1nn(-c2cccc(c2)C(F)(F)F)c(=O)c2c(N)scc12
Show InChI InChI=1S/C16H12F3N3O3S/c1-2-25-15(24)12-10-7-26-13(20)11(10)14(23)22(21-12)9-5-3-4-8(6-9)16(17,18)19/h3-7H,2,20H2,1H3
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n/an/an/an/a 2.70E+3n/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Modulation of human adenosine A1 receptor expressed in CHO-K1 cells assessed as allosteric effect on [125I]ABA dissociation


J Med Chem 51: 6165-72 (2008)


Article DOI: 10.1021/jm800557d
BindingDB Entry DOI: 10.7270/Q2930T0C
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50253794
PNG
(CHEMBL461432 | Ethyl 5-amino-3-(3-chlorophenyl)-4-...)
Show SMILES CCOC(=O)c1nn(-c2cccc(Cl)c2)c(=O)c2c(N)scc12
Show InChI InChI=1S/C15H12ClN3O3S/c1-2-22-15(21)12-10-7-23-13(17)11(10)14(20)19(18-12)9-5-3-4-8(16)6-9/h3-7H,2,17H2,1H3
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n/an/an/an/a 5.70E+3n/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Modulation of human adenosine A1 receptor expressed in CHO-K1 cells assessed as allosteric effect on [125I]ABA dissociation


J Med Chem 51: 6165-72 (2008)


Article DOI: 10.1021/jm800557d
BindingDB Entry DOI: 10.7270/Q2930T0C
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50253793
PNG
(CHEMBL461431 | Ethyl 5-Amino-4-oxo-3-phenyl-3,4-di...)
Show SMILES CCOC(=O)c1nn(-c2ccccc2)c(=O)c2c(N)scc12
Show InChI InChI=1S/C15H13N3O3S/c1-2-21-15(20)12-10-8-22-13(16)11(10)14(19)18(17-12)9-6-4-3-5-7-9/h3-8H,2,16H2,1H3
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n/an/an/an/a 1.36E+4n/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Modulation of human adenosine A1 receptor expressed in CHO-K1 cells assessed as allosteric effect on [125I]ABA dissociation


J Med Chem 51: 6165-72 (2008)


Article DOI: 10.1021/jm800557d
BindingDB Entry DOI: 10.7270/Q2930T0C
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50253792
PNG
(CHEMBL443152 | ethyl 5-amino-3-(4-tert-butylphenyl...)
Show SMILES CCOC(=O)c1nn(-c2ccc(cc2)C(C)(C)C)c(=O)c2c(N)scc12
Show InChI InChI=1S/C19H21N3O3S/c1-5-25-18(24)15-13-10-26-16(20)14(13)17(23)22(21-15)12-8-6-11(7-9-12)19(2,3)4/h6-10H,5,20H2,1-4H3
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n/an/an/an/a 9.75E+3n/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Modulation of human adenosine A1 receptor expressed in CHO-K1 cells assessed as allosteric effect on [125I]ABA dissociation


J Med Chem 51: 6165-72 (2008)


Article DOI: 10.1021/jm800557d
BindingDB Entry DOI: 10.7270/Q2930T0C
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50253324
PNG
(5-amino-3-methyl-N2-phenylthiophene-2,4-dicarboxam...)
Show SMILES Cc1c(sc(N)c1C(N)=O)C(=O)Nc1ccccc1
Show InChI InChI=1S/C13H13N3O2S/c1-7-9(11(14)17)12(15)19-10(7)13(18)16-8-5-3-2-4-6-8/h2-6H,15H2,1H3,(H2,14,17)(H,16,18)
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n/an/an/an/a 3.95E+3n/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Modulation of human adenosine A1 receptor expressed in CHO-K1 cells assessed as allosteric effect on [125I]ABA dissociation


J Med Chem 51: 6165-72 (2008)


Article DOI: 10.1021/jm800557d
BindingDB Entry DOI: 10.7270/Q2930T0C
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50253751
PNG
((2-amino-4,5-dimethylthiophen-3-yl)(thiophen-2-yl)...)
Show SMILES Cc1sc(N)c(C(=O)c2cccs2)c1C
Show InChI InChI=1S/C11H11NOS2/c1-6-7(2)15-11(12)9(6)10(13)8-4-3-5-14-8/h3-5H,12H2,1-2H3
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n/an/an/an/a 1.12E+4n/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Modulation of human adenosine A1 receptor expressed in CHO-K1 cells assessed as allosteric effect on [125I]ABA dissociation


J Med Chem 51: 6165-72 (2008)


Article DOI: 10.1021/jm800557d
BindingDB Entry DOI: 10.7270/Q2930T0C
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50253870
PNG
(5-Amino-3,4-dihydro-3-(4-methoxyphenyl)-4-oxo-thie...)
Show SMILES COc1ccc(cc1)-n1nc(C(O)=O)c2csc(N)c2c1=O
Show InChI InChI=1S/C14H11N3O4S/c1-21-8-4-2-7(3-5-8)17-13(18)10-9(6-22-12(10)15)11(16-17)14(19)20/h2-6H,15H2,1H3,(H,19,20)
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n/an/an/an/a 2.60E+3n/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Modulation of human adenosine A1 receptor expressed in CHO-K1 cells assessed as allosteric effect on [125I]ABA dissociation


J Med Chem 51: 6165-72 (2008)


Article DOI: 10.1021/jm800557d
BindingDB Entry DOI: 10.7270/Q2930T0C
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50253869
PNG
(5-Amino-3,4-dihydro-4-oxo-3-phenyl-thieno[3,4-d]py...)
Show SMILES Nc1scc2c(nn(-c3ccccc3)c(=O)c12)C(O)=O
Show InChI InChI=1S/C13H9N3O3S/c14-11-9-8(6-20-11)10(13(18)19)15-16(12(9)17)7-4-2-1-3-5-7/h1-6H,14H2,(H,18,19)
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n/an/an/an/a 9.80E+3n/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Modulation of human adenosine A1 receptor expressed in CHO-K1 cells assessed as allosteric effect on [125I]ABA dissociation


J Med Chem 51: 6165-72 (2008)


Article DOI: 10.1021/jm800557d
BindingDB Entry DOI: 10.7270/Q2930T0C
More data for this
Ligand-Target Pair
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