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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 211.6
BDBM50053615
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Wt: 211.6
BDBM50053629
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Wt: 211.6
BDBM50053595
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Wt: 177.2
BDBM50053596
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Wt: 246.0
BDBM50100971
Wt: 246.0
BDBM50100977
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Wt: 246.0
BDBM50154223
Wt: 246.0
BDBM50195089
Wt: 225.6
BDBM50195091
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Wt: 221.2
BDBM50195097
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Wt: 246.0
BDBM50195099
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Wt: 229.6
BDBM50195101
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Wt: 223.2
BDBM50195103
Wt: 223.2
BDBM50195105
Wt: 234.2
BDBM50439689
Displayed 1 to 15 (of 1517 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 32 hits in this display   
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
Serotonin 3a (5-HT3a)/3b (5-HT3b)/3c (5-HT3c)/3d (5-HT3d)/3e (5-HT3e) receptor


(Homo sapiens (Human))
BDBM50053615
PNG
(3-Chloro-Phenyl biguanide | CHEMBL13790 | N-(3-chl...)
Show SMILES NC(=N)N=C(N)Nc1cccc(Cl)c1
Show InChI InChI=1S/C8H10ClN5/c9-5-2-1-3-6(4-5)13-8(12)14-7(10)11/h1-4H,(H6,10,11,12,13,14)
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17n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]-GR-65,630 binding to 5-hydroxytryptamine 3 receptor expressed in NG 108-15 cells


J Med Chem 39: 4017-26 (1996)


Article DOI: 10.1021/jm9603936
BindingDB Entry DOI: 10.7270/Q23F4NQT
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b)/3c (5-HT3c)/3d (5-HT3d)/3e (5-HT3e) receptor


(Homo sapiens (Human))
BDBM50053629
PNG
(2-Chloro-Phenyl biguanide | CHEMBL42752 | N-(2-chl...)
Show SMILES NC(=N)N=C(N)Nc1ccccc1Cl
Show InChI InChI=1S/C8H10ClN5/c9-5-3-1-2-4-6(5)13-8(12)14-7(10)11/h1-4H,(H6,10,11,12,13,14)
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62n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]-GR-65,630 binding to 5-hydroxytryptamine 3 receptor expressed in NG 108-15 cells


J Med Chem 39: 4017-26 (1996)


Article DOI: 10.1021/jm9603936
BindingDB Entry DOI: 10.7270/Q23F4NQT
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b)/3c (5-HT3c)/3d (5-HT3d)/3e (5-HT3e) receptor


(Homo sapiens (Human))
BDBM50053595
PNG
(4-Chloro-Phenyl biguanide | 4-Chlorophenylbiguanid...)
Show SMILES NC(=N)N=C(N)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C8H10ClN5/c9-5-1-3-6(4-2-5)13-8(12)14-7(10)11/h1-4H,(H6,10,11,12,13,14)
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200n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]-GR-65,630 binding to 5-hydroxytryptamine 3 receptor expressed in NG 108-15 cells


J Med Chem 39: 4017-26 (1996)


Article DOI: 10.1021/jm9603936
BindingDB Entry DOI: 10.7270/Q23F4NQT
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b)/3c (5-HT3c)/3d (5-HT3d)/3e (5-HT3e) receptor


(Homo sapiens (Human))
BDBM50053596
PNG
(1-phenylbiguanide | CHEMBL13791 | N-phenylimidodic...)
Show SMILES NC(=N)NC(N)=Nc1ccccc1
Show InChI InChI=1S/C8H11N5/c9-7(10)13-8(11)12-6-4-2-1-3-5-6/h1-5H,(H6,9,10,11,12,13)
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1.20E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]-GR-65,630 binding to 5-hydroxytryptamine 3 receptor expressed in NG 108-15 cells


J Med Chem 39: 4017-26 (1996)


Article DOI: 10.1021/jm9603936
BindingDB Entry DOI: 10.7270/Q23F4NQT
More data for this
Ligand-Target Pair
ITGA5/ITGB1


(Homo sapiens (Human))
BDBM50439689
PNG
(CHEMBL2418214)
Show SMILES C\C=C(\C(C)NCc1ccc(N)cc1)C(O)=O
Show InChI InChI=1S/C13H18N2O2/c1-3-12(13(16)17)9(2)15-8-10-4-6-11(14)7-5-10/h3-7,9,15H,8,14H2,1-2H3,(H,16,17)/b12-3-
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n/an/a 19n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of alpha5beta1 integrin-mediated human K562 cell adhesion to fibronectin incubated for 30 mins before plating measured after 1 hr


Eur J Med Chem 66: 258-68 (2013)


Article DOI: 10.1016/j.ejmech.2013.05.050
BindingDB Entry DOI: 10.7270/Q21Z45VC
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50100971
PNG
(CHEMBL40929 | N-(3,5-dichlorophenyl)imidodicarboni...)
Show SMILES NC(=N)N=C(N)Nc1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C8H9Cl2N5/c9-4-1-5(10)3-6(2-4)14-8(13)15-7(11)12/h1-3H,(H6,11,12,13,14,15)
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n/an/a 33.5n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of integrin alphaVbeta3-mediated adhesion of human cells M21 cells


J Med Chem 53: 4332-53 (2010)


Article DOI: 10.1021/jm9018756
BindingDB Entry DOI: 10.7270/Q21R6QPF
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50100971
PNG
(CHEMBL40929 | N-(3,5-dichlorophenyl)imidodicarboni...)
Show SMILES NC(=N)N=C(N)Nc1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C8H9Cl2N5/c9-4-1-5(10)3-6(2-4)14-8(13)15-7(11)12/h1-3H,(H6,11,12,13,14,15)
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n/an/a 3.35E+4n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of integrin alphavbeta3 mediated cell adhesion of human M21 cells to vitronectiin


Bioorg Med Chem Lett 16: 5878-82 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.061
BindingDB Entry DOI: 10.7270/Q2W66N0W
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50100977
PNG
(3,4-dichloro-phenylbiguanide | CHEMBL41433 | N-(3,...)
Show SMILES NC(=N)N=C(N)Nc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C8H9Cl2N5/c9-5-2-1-4(3-6(5)10)14-8(13)15-7(11)12/h1-3H,(H6,11,12,13,14,15)
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n/an/a 3.85E+4n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of integrin alphavbeta3 mediated cell adhesion of human M21 cells to vitronectiin


Bioorg Med Chem Lett 16: 5878-82 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.061
BindingDB Entry DOI: 10.7270/Q2W66N0W
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50195099
PNG
(CHEMBL220979 | N-(2,4-dichlorophenyl)imidodicarbon...)
Show SMILES NC(N)=NC(N)=Nc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C8H9Cl2N5/c9-4-1-2-6(5(10)3-4)14-8(13)15-7(11)12/h1-3H,(H6,11,12,13,14,15)
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n/an/a 6.69E+4n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of integrin alphavbeta3 mediated cell adhesion of human M21 cells to vitronectiin


Bioorg Med Chem Lett 16: 5878-82 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.061
BindingDB Entry DOI: 10.7270/Q2W66N0W
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50154223
PNG
(CHEMBL185802 | N-(2,3-dichlorophenyl)imidodicarbon...)
Show SMILES NC(=N)N=C(N)Nc1cccc(Cl)c1Cl
Show InChI InChI=1S/C8H9Cl2N5/c9-4-2-1-3-5(6(4)10)14-8(13)15-7(11)12/h1-3H,(H6,11,12,13,14,15)
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n/an/a 8.73E+4n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of integrin alphavbeta3 mediated cell adhesion of human M21 cells to vitronectiin


Bioorg Med Chem Lett 16: 5878-82 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.061
BindingDB Entry DOI: 10.7270/Q2W66N0W
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50195101
PNG
(CHEMBL222122 | N-(3-chloro-4-fluorophenyl)imidodic...)
Show SMILES NC(N)=NC(N)=Nc1ccc(F)c(Cl)c1
Show InChI InChI=1S/C8H9ClFN5/c9-5-3-4(1-2-6(5)10)14-8(13)15-7(11)12/h1-3H,(H6,11,12,13,14,15)
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n/an/a 9.73E+4n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of integrin alphavbeta3 mediated cell adhesion of human M21 cells to vitronectiin


Bioorg Med Chem Lett 16: 5878-82 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.061
BindingDB Entry DOI: 10.7270/Q2W66N0W
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50439689
PNG
(CHEMBL2418214)
Show SMILES C\C=C(\C(C)NCc1ccc(N)cc1)C(O)=O
Show InChI InChI=1S/C13H18N2O2/c1-3-12(13(16)17)9(2)15-8-10-4-6-11(14)7-5-10/h3-7,9,15H,8,14H2,1-2H3,(H,16,17)/b12-3-
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of alphaVbeta3 integrin-mediated human SK-MEL-24 cell adhesion to fibronectin incubated for 30 mins before plating measured after 1 hr


Eur J Med Chem 66: 258-68 (2013)


Article DOI: 10.1016/j.ejmech.2013.05.050
BindingDB Entry DOI: 10.7270/Q21Z45VC
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50195089
PNG
(CHEMBL221952 | N-(2,5-dichlorophenyl)imidodicarbon...)
Show SMILES NC(N)=NC(N)=Nc1cc(Cl)ccc1Cl
Show InChI InChI=1S/C8H9Cl2N5/c9-4-1-2-5(10)6(3-4)14-8(13)15-7(11)12/h1-3H,(H6,11,12,13,14,15)
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n/an/a 1.00E+5n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of integrin alphavbeta3 mediated cell adhesion of human M21 cells to vitronectiin


Bioorg Med Chem Lett 16: 5878-82 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.061
BindingDB Entry DOI: 10.7270/Q2W66N0W
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50053595
PNG
(4-Chloro-Phenyl biguanide | 4-Chlorophenylbiguanid...)
Show SMILES NC(=N)N=C(N)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C8H10ClN5/c9-5-1-3-6(4-2-5)13-8(12)14-7(10)11/h1-4H,(H6,10,11,12,13,14)
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n/an/a 1.49E+5n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of integrin alphavbeta3 mediated cell adhesion of human M21 cells to vitronectiin


Bioorg Med Chem Lett 16: 5878-82 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.061
BindingDB Entry DOI: 10.7270/Q2W66N0W
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50053615
PNG
(3-Chloro-Phenyl biguanide | CHEMBL13790 | N-(3-chl...)
Show SMILES NC(=N)N=C(N)Nc1cccc(Cl)c1
Show InChI InChI=1S/C8H10ClN5/c9-5-2-1-3-6(4-5)13-8(12)14-7(10)11/h1-4H,(H6,10,11,12,13,14)
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n/an/a 1.91E+5n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of integrin alphavbeta3 mediated cell adhesion of human M21 cells to vitronectiin


Bioorg Med Chem Lett 16: 5878-82 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.061
BindingDB Entry DOI: 10.7270/Q2W66N0W
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50195103
PNG
(CHEMBL221253 | N-[3-(methylthio)phenyl]imidodicarb...)
Show SMILES CSc1cccc(c1)N=C(N)N=C(N)N
Show InChI InChI=1S/C9H13N5S/c1-15-7-4-2-3-6(5-7)13-9(12)14-8(10)11/h2-5H,1H3,(H6,10,11,12,13,14)
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n/an/a>2.00E+5n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of integrin alphavbeta3 mediated cell adhesion of human M21 cells to vitronectiin


Bioorg Med Chem Lett 16: 5878-82 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.061
BindingDB Entry DOI: 10.7270/Q2W66N0W
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50195097
PNG
(CHEMBL375650 | N-(2-ethoxyphenyl)imidodicarbonimid...)
Show SMILES CCOc1ccccc1N=C(N)N=C(N)N
Show InChI InChI=1S/C10H15N5O/c1-2-16-8-6-4-3-5-7(8)14-10(13)15-9(11)12/h3-6H,2H2,1H3,(H6,11,12,13,14,15)
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n/an/a>2.00E+5n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of integrin alphavbeta3 mediated cell adhesion of human M21 cells to vitronectiin


Bioorg Med Chem Lett 16: 5878-82 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.061
BindingDB Entry DOI: 10.7270/Q2W66N0W
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50195091
PNG
(CHEMBL375434 | N-(5-chloro-2-methylphenyl)imidodic...)
Show SMILES Cc1ccc(Cl)cc1N=C(N)N=C(N)N
Show InChI InChI=1S/C9H12ClN5/c1-5-2-3-6(10)4-7(5)14-9(13)15-8(11)12/h2-4H,1H3,(H6,11,12,13,14,15)
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n/an/a>2.00E+5n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of integrin alphavbeta3 mediated cell adhesion of human M21 cells to vitronectiin


Bioorg Med Chem Lett 16: 5878-82 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.061
BindingDB Entry DOI: 10.7270/Q2W66N0W
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50053596
PNG
(1-phenylbiguanide | CHEMBL13791 | N-phenylimidodic...)
Show SMILES NC(=N)NC(N)=Nc1ccccc1
Show InChI InChI=1S/C8H11N5/c9-7(10)13-8(11)12-6-4-2-1-3-5-6/h1-5H,(H6,9,10,11,12,13)
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n/an/a>2.00E+5n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of integrin alphavbeta3 mediated cell adhesion of human M21 cells to vitronectiin


Bioorg Med Chem Lett 16: 5878-82 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.061
BindingDB Entry DOI: 10.7270/Q2W66N0W
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50053629
PNG
(2-Chloro-Phenyl biguanide | CHEMBL42752 | N-(2-chl...)
Show SMILES NC(=N)N=C(N)Nc1ccccc1Cl
Show InChI InChI=1S/C8H10ClN5/c9-5-3-1-2-4-6(5)13-8(12)14-7(10)11/h1-4H,(H6,10,11,12,13,14)
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n/an/a>2.00E+5n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of integrin alphavbeta3 mediated cell adhesion of human M21 cells to vitronectiin


Bioorg Med Chem Lett 16: 5878-82 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.061
BindingDB Entry DOI: 10.7270/Q2W66N0W
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50195105
PNG
(CHEMBL221310 | N-[2-(methylthio)phenyl]imidodicarb...)
Show SMILES CSc1ccccc1N=C(N)N=C(N)N
Show InChI InChI=1S/C9H13N5S/c1-15-7-5-3-2-4-6(7)13-9(12)14-8(10)11/h2-5H,1H3,(H6,10,11,12,13,14)
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n/an/a>2.00E+5n/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of integrin alphavbeta3 mediated cell adhesion of human M21 cells to vitronectiin


Bioorg Med Chem Lett 16: 5878-82 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.061
BindingDB Entry DOI: 10.7270/Q2W66N0W
More data for this
Ligand-Target Pair
5-HT3A Serotonin Receptor


(Mus musculus (house mouse))
BDBM50053615
PNG
(3-Chloro-Phenyl biguanide | CHEMBL13790 | N-(3-chl...)
Show SMILES NC(=N)N=C(N)Nc1cccc(Cl)c1
Show InChI InChI=1S/C8H10ClN5/c9-5-2-1-3-6(4-5)13-8(12)14-7(10)11/h1-4H,(H6,10,11,12,13,14)
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n/an/an/an/a 800n/an/an/an/a



Virtua Drug Ltd

Curated by ChEMBL


Assay Description
Agonist activity at wild type mouse 5HT3A receptor expressed in Xenopus oocyte by two-electrode voltage patch clamp method


Bioorg Med Chem 17: 5796-805 (2009)


Article DOI: 10.1016/j.bmc.2009.07.022
BindingDB Entry DOI: 10.7270/Q2HH6M1M
More data for this
Ligand-Target Pair
S-100 protein beta chain


(Homo sapiens (Human))
BDBM50154223
PNG
(CHEMBL185802 | N-(2,3-dichlorophenyl)imidodicarbon...)
Show SMILES NC(=N)N=C(N)Nc1cccc(Cl)c1Cl
Show InChI InChI=1S/C8H9Cl2N5/c9-4-2-1-3-5(6(4)10)14-8(13)15-7(11)12/h1-3H,(H6,11,12,13,14,15)
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n/an/an/a 2.00E+3n/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding to holo-S100B protein


J Med Chem 47: 5085-93 (2004)


Article DOI: 10.1021/jm0497038
BindingDB Entry DOI: 10.7270/Q2028R1W
More data for this
Ligand-Target Pair
Trace amine-associated receptor 5


(Mus musculus)
BDBM50053629
PNG
(2-Chloro-Phenyl biguanide | CHEMBL42752 | N-(2-chl...)
Show SMILES NC(=N)N=C(N)Nc1ccccc1Cl
Show InChI InChI=1S/C8H10ClN5/c9-5-3-1-2-4-6(5)13-8(12)14-7(10)11/h1-4H,(H6,10,11,12,13,14)
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n/an/an/an/a>1.00E+4n/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Agonist activity at mouse TAAR5 expressed in HEK293 cells assessed as cAMP accumulation after 20 mins by BRET assay


Eur J Med Chem 127: 781-792 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.058
More data for this
Ligand-Target Pair
Trace amine-associated receptor 5


(Mus musculus)
BDBM50053615
PNG
(3-Chloro-Phenyl biguanide | CHEMBL13790 | N-(3-chl...)
Show SMILES NC(=N)N=C(N)Nc1cccc(Cl)c1
Show InChI InChI=1S/C8H10ClN5/c9-5-2-1-3-6(4-5)13-8(12)14-7(10)11/h1-4H,(H6,10,11,12,13,14)
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n/an/an/an/a>1.00E+4n/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Agonist activity at mouse TAAR5 expressed in HEK293 cells assessed as cAMP accumulation after 20 mins by BRET assay


Eur J Med Chem 127: 781-792 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.058
More data for this
Ligand-Target Pair
Trace amine-associated receptor 5


(Mus musculus)
BDBM50100977
PNG
(3,4-dichloro-phenylbiguanide | CHEMBL41433 | N-(3,...)
Show SMILES NC(=N)N=C(N)Nc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C8H9Cl2N5/c9-5-2-1-4(3-6(5)10)14-8(13)15-7(11)12/h1-3H,(H6,11,12,13,14,15)
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n/an/an/an/a>1.00E+4n/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Agonist activity at mouse TAAR5 expressed in HEK293 cells assessed as cAMP accumulation after 20 mins by BRET assay


Eur J Med Chem 127: 781-792 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.058
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM50053629
PNG
(2-Chloro-Phenyl biguanide | CHEMBL42752 | N-(2-chl...)
Show SMILES NC(=N)N=C(N)Nc1ccccc1Cl
Show InChI InChI=1S/C8H10ClN5/c9-5-3-1-2-4-6(5)13-8(12)14-7(10)11/h1-4H,(H6,10,11,12,13,14)
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n/an/an/an/a 1.00E+3n/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Agonist activity at human TAAR1 expressed in HEK293 cells assessed as cAMP accumulation after 20 mins by BRET assay


Eur J Med Chem 127: 781-792 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.058
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Mus musculus (Mouse))
BDBM50053595
PNG
(4-Chloro-Phenyl biguanide | 4-Chlorophenylbiguanid...)
Show SMILES NC(=N)N=C(N)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C8H10ClN5/c9-5-1-3-6(4-2-5)13-8(12)14-7(10)11/h1-4H,(H6,10,11,12,13,14)
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n/an/an/an/a 2.10E+3n/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Agonist activity at mouse TAAR1 expressed in HEK293 cells assessed as cAMP accumulation after 20 mins by BRET assay


Eur J Med Chem 127: 781-792 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.058
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM50053595
PNG
(4-Chloro-Phenyl biguanide | 4-Chlorophenylbiguanid...)
Show SMILES NC(=N)N=C(N)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C8H10ClN5/c9-5-1-3-6(4-2-5)13-8(12)14-7(10)11/h1-4H,(H6,10,11,12,13,14)
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n/an/an/an/a>1.00E+4n/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Agonist activity at human TAAR1 expressed in HEK293 cells assessed as cAMP accumulation after 20 mins by BRET assay


Eur J Med Chem 127: 781-792 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.058
More data for this
Ligand-Target Pair
Trace amine-associated receptor 5


(Mus musculus)
BDBM50053595
PNG
(4-Chloro-Phenyl biguanide | 4-Chlorophenylbiguanid...)
Show SMILES NC(=N)N=C(N)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C8H10ClN5/c9-5-1-3-6(4-2-5)13-8(12)14-7(10)11/h1-4H,(H6,10,11,12,13,14)
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n/an/an/an/a>1.00E+4n/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Agonist activity at mouse TAAR5 expressed in HEK293 cells assessed as cAMP accumulation after 20 mins by BRET assay


Eur J Med Chem 127: 781-792 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.058
More data for this
Ligand-Target Pair
Trace amine-associated receptor 5


(Mus musculus)
BDBM50053596
PNG
(1-phenylbiguanide | CHEMBL13791 | N-phenylimidodic...)
Show SMILES NC(=N)NC(N)=Nc1ccccc1
Show InChI InChI=1S/C8H11N5/c9-7(10)13-8(11)12-6-4-2-1-3-5-6/h1-5H,(H6,9,10,11,12,13)
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n/an/an/an/a>1.00E+4n/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Agonist activity at mouse TAAR5 expressed in HEK293 cells assessed as cAMP accumulation after 20 mins by BRET assay


Eur J Med Chem 127: 781-792 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.058
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Mus musculus (Mouse))
BDBM50053629
PNG
(2-Chloro-Phenyl biguanide | CHEMBL42752 | N-(2-chl...)
Show SMILES NC(=N)N=C(N)Nc1ccccc1Cl
Show InChI InChI=1S/C8H10ClN5/c9-5-3-1-2-4-6(5)13-8(12)14-7(10)11/h1-4H,(H6,10,11,12,13,14)
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n/an/an/an/a 410n/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Agonist activity at mouse TAAR1 expressed in HEK293 cells assessed as cAMP accumulation after 20 mins by BRET assay


Eur J Med Chem 127: 781-792 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.058
More data for this
Ligand-Target Pair