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4 similar compounds to monomer 26399

Compile data set for download or QSAR
Wt: 295.3
BDBM26392
Wt: 281.3
BDBM26393
Wt: 295.3
BDBM26395
Wt: 295.3
BDBM26398

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 26392,26393,26395,26398   
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
Histamine H4 Receptor


(Rattus norvegicus (rat))
BDBM26398
PNG
(2,4-diamino-5,6-disubstituted pyrimidine, 12 | 6-[...)
Show SMILES CNC1CN(C1)c1nc(N)nc-2c1CCCc1ccccc-21
Show InChI InChI=1S/C17H21N5/c1-19-12-9-22(10-12)16-14-8-4-6-11-5-2-3-7-13(11)15(14)20-17(18)21-16/h2-3,5,7,12,19H,4,6,8-10H2,1H3,(H2,18,20,21)
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3.60 -11.5n/an/an/an/an/a7.425



Abbott Laboratories



Assay Description
Competition radioligand binding assays were performed with increasing concentrations of test compound in the presence of [3H]ligand. All binding reac...


J Med Chem 51: 6547-57 (2008)


Article DOI: 10.1021/jm800670r
BindingDB Entry DOI: 10.7270/Q2KH0KM5
More data for this
Ligand-Target Pair
Histamine H4 Receptor


(Rattus norvegicus (rat))
BDBM26392
PNG
(2,4-diamino-5,6-disubstituted pyrimidine, 6 | 6-(4...)
Show SMILES CN1CCN(CC1)c1nc(N)nc-2c1CCc1ccccc-21
Show InChI InChI=1S/C17H21N5/c1-21-8-10-22(11-9-21)16-14-7-6-12-4-2-3-5-13(12)15(14)19-17(18)20-16/h2-5H,6-11H2,1H3,(H2,18,19,20)
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5.40 -11.3n/an/an/an/an/a7.425



Abbott Laboratories



Assay Description
Competition radioligand binding assays were performed with increasing concentrations of test compound in the presence of [3H]ligand. All binding reac...


J Med Chem 51: 6547-57 (2008)


Article DOI: 10.1021/jm800670r
BindingDB Entry DOI: 10.7270/Q2KH0KM5
More data for this
Ligand-Target Pair
Histamine H4 Receptor


(Rattus norvegicus (rat))
BDBM26395
PNG
(2,4-diamino-5,6-disubstituted pyrimidine, 9 | 6-(p...)
Show SMILES Nc1nc(N2CCNCC2)c2CCCc3ccccc3-c2n1
Show InChI InChI=1S/C17H21N5/c18-17-20-15-13-6-2-1-4-12(13)5-3-7-14(15)16(21-17)22-10-8-19-9-11-22/h1-2,4,6,19H,3,5,7-11H2,(H2,18,20,21)
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7.60 -11.1n/an/an/an/an/a7.425



Abbott Laboratories



Assay Description
Competition radioligand binding assays were performed with increasing concentrations of test compound in the presence of [3H]ligand. All binding reac...


J Med Chem 51: 6547-57 (2008)


Article DOI: 10.1021/jm800670r
BindingDB Entry DOI: 10.7270/Q2KH0KM5
More data for this
Ligand-Target Pair
Histamine H4 Receptor


(Rattus norvegicus (rat))
BDBM26393
PNG
(2,4-diamino-5,6-disubstituted pyrimidine, 7 | 6-(p...)
Show SMILES Nc1nc(N2CCNCC2)c2CCc3ccccc3-c2n1
Show InChI InChI=1S/C16H19N5/c17-16-19-14-12-4-2-1-3-11(12)5-6-13(14)15(20-16)21-9-7-18-8-10-21/h1-4,18H,5-10H2,(H2,17,19,20)
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9.20 -11.0n/an/an/an/an/a7.425



Abbott Laboratories



Assay Description
Competition radioligand binding assays were performed with increasing concentrations of test compound in the presence of [3H]ligand. All binding reac...


J Med Chem 51: 6547-57 (2008)


Article DOI: 10.1021/jm800670r
BindingDB Entry DOI: 10.7270/Q2KH0KM5
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM26398
PNG
(2,4-diamino-5,6-disubstituted pyrimidine, 12 | 6-[...)
Show SMILES CNC1CN(C1)c1nc(N)nc-2c1CCCc1ccccc-21
Show InChI InChI=1S/C17H21N5/c1-19-12-9-22(10-12)16-14-8-4-6-11-5-2-3-7-13(11)15(14)20-17(18)21-16/h2-3,5,7,12,19H,4,6,8-10H2,1H3,(H2,18,20,21)
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11 -10.8n/an/an/an/an/a7.425



Abbott Laboratories



Assay Description
Competition radioligand binding assays were performed with increasing concentrations of test compound in the presence of [3H]ligand. All binding reac...


J Med Chem 51: 6547-57 (2008)


Article DOI: 10.1021/jm800670r
BindingDB Entry DOI: 10.7270/Q2KH0KM5
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM26392
PNG
(2,4-diamino-5,6-disubstituted pyrimidine, 6 | 6-(4...)
Show SMILES CN1CCN(CC1)c1nc(N)nc-2c1CCc1ccccc-21
Show InChI InChI=1S/C17H21N5/c1-21-8-10-22(11-9-21)16-14-7-6-12-4-2-3-5-13(12)15(14)19-17(18)20-16/h2-5H,6-11H2,1H3,(H2,18,19,20)
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15.5 -10.6n/an/an/an/an/a7.425



Abbott Laboratories



Assay Description
Competition radioligand binding assays were performed with increasing concentrations of test compound in the presence of [3H]ligand. All binding reac...


J Med Chem 51: 6547-57 (2008)


Article DOI: 10.1021/jm800670r
BindingDB Entry DOI: 10.7270/Q2KH0KM5
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM26393
PNG
(2,4-diamino-5,6-disubstituted pyrimidine, 7 | 6-(p...)
Show SMILES Nc1nc(N2CCNCC2)c2CCc3ccccc3-c2n1
Show InChI InChI=1S/C16H19N5/c17-16-19-14-12-4-2-1-3-11(12)5-6-13(14)15(20-16)21-9-7-18-8-10-21/h1-4,18H,5-10H2,(H2,17,19,20)
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51.9 -9.93n/an/an/an/an/a7.425



Abbott Laboratories



Assay Description
Competition radioligand binding assays were performed with increasing concentrations of test compound in the presence of [3H]ligand. All binding reac...


J Med Chem 51: 6547-57 (2008)


Article DOI: 10.1021/jm800670r
BindingDB Entry DOI: 10.7270/Q2KH0KM5
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM26395
PNG
(2,4-diamino-5,6-disubstituted pyrimidine, 9 | 6-(p...)
Show SMILES Nc1nc(N2CCNCC2)c2CCCc3ccccc3-c2n1
Show InChI InChI=1S/C17H21N5/c18-17-20-15-13-6-2-1-4-12(13)5-3-7-14(15)16(21-17)22-10-8-19-9-11-22/h1-2,4,6,19H,3,5,7-11H2,(H2,18,20,21)
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71 -9.75n/an/an/an/an/a7.425



Abbott Laboratories



Assay Description
Competition radioligand binding assays were performed with increasing concentrations of test compound in the presence of [3H]ligand. All binding reac...


J Med Chem 51: 6547-57 (2008)


Article DOI: 10.1021/jm800670r
BindingDB Entry DOI: 10.7270/Q2KH0KM5
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM26395
PNG
(2,4-diamino-5,6-disubstituted pyrimidine, 9 | 6-(p...)
Show SMILES Nc1nc(N2CCNCC2)c2CCCc3ccccc3-c2n1
Show InChI InChI=1S/C17H21N5/c18-17-20-15-13-6-2-1-4-12(13)5-3-7-14(15)16(21-17)22-10-8-19-9-11-22/h1-2,4,6,19H,3,5,7-11H2,(H2,18,20,21)
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79.4n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Binding affinity to H4R receptor


Bioorg Med Chem Lett 21: 5460-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.123
BindingDB Entry DOI: 10.7270/Q2ZC844K
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM26392
PNG
(2,4-diamino-5,6-disubstituted pyrimidine, 6 | 6-(4...)
Show SMILES CN1CCN(CC1)c1nc(N)nc-2c1CCc1ccccc-21
Show InChI InChI=1S/C17H21N5/c1-21-8-10-22(11-9-21)16-14-7-6-12-4-2-3-5-13(12)15(14)19-17(18)20-16/h2-5H,6-11H2,1H3,(H2,18,19,20)
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186n/an/an/an/an/an/an/an/a



Friedrich-Alexander-Universit£t Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine 4 receptor expressed in Sf9 cell membranes by liquid scintillation counting


Bioorg Med Chem Lett 26: 292-300 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.035
BindingDB Entry DOI: 10.7270/Q2Z03B0K
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM26392
PNG
(2,4-diamino-5,6-disubstituted pyrimidine, 6 | 6-(4...)
Show SMILES CN1CCN(CC1)c1nc(N)nc-2c1CCc1ccccc-21
Show InChI InChI=1S/C17H21N5/c1-21-8-10-22(11-9-21)16-14-7-6-12-4-2-3-5-13(12)15(14)19-17(18)20-16/h2-5H,6-11H2,1H3,(H2,18,19,20)
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9.12E+3n/an/an/an/an/an/an/an/a



Friedrich-Alexander-Universit£t Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H]mepyramine from human histamine 1 receptor expressed in Sf9 cell membranes by liquid scintillation counting


Bioorg Med Chem Lett 26: 292-300 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.035
BindingDB Entry DOI: 10.7270/Q2Z03B0K
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM26392
PNG
(2,4-diamino-5,6-disubstituted pyrimidine, 6 | 6-(4...)
Show SMILES CN1CCN(CC1)c1nc(N)nc-2c1CCc1ccccc-21
Show InChI InChI=1S/C17H21N5/c1-21-8-10-22(11-9-21)16-14-7-6-12-4-2-3-5-13(12)15(14)19-17(18)20-16/h2-5H,6-11H2,1H3,(H2,18,19,20)
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9.77E+3n/an/an/an/an/an/an/an/a



Friedrich-Alexander-Universit£t Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H]Nalpha-methylhistamine from human histamine 3 receptor expressed in Sf9 cell membranes by liquid scintillation counting


Bioorg Med Chem Lett 26: 292-300 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.035
BindingDB Entry DOI: 10.7270/Q2Z03B0K
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Homo sapiens (Human))
BDBM26392
PNG
(2,4-diamino-5,6-disubstituted pyrimidine, 6 | 6-(4...)
Show SMILES CN1CCN(CC1)c1nc(N)nc-2c1CCc1ccccc-21
Show InChI InChI=1S/C17H21N5/c1-21-8-10-22(11-9-21)16-14-7-6-12-4-2-3-5-13(12)15(14)19-17(18)20-16/h2-5H,6-11H2,1H3,(H2,18,19,20)
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3.16E+4n/an/an/an/an/an/an/an/a



Friedrich-Alexander-Universit£t Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H]UR-DE257 from human histamine 2 receptor expressed in Sf9 cell membranes by liquid scintillation counting


Bioorg Med Chem Lett 26: 292-300 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.035
BindingDB Entry DOI: 10.7270/Q2Z03B0K
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM26392
PNG
(2,4-diamino-5,6-disubstituted pyrimidine, 6 | 6-(4...)
Show SMILES CN1CCN(CC1)c1nc(N)nc-2c1CCc1ccccc-21
Show InChI InChI=1S/C17H21N5/c1-21-8-10-22(11-9-21)16-14-7-6-12-4-2-3-5-13(12)15(14)19-17(18)20-16/h2-5H,6-11H2,1H3,(H2,18,19,20)
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n/an/an/an/a 295n/an/an/an/a



Friedrich-Alexander-Universit£t Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine 4 receptor expressed in Sf9 cell membranes co-expressing Galphai2 and Gbeta1gamma2 assessed as [35S]GTPgammaS ...


Bioorg Med Chem Lett 26: 292-300 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.035
BindingDB Entry DOI: 10.7270/Q2Z03B0K
More data for this
Ligand-Target Pair