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3 similar compounds to monomer 50415770

Compile data set for download or QSAR
Wt: 247.3
BDBM50006772
Wt: 301.4
BDBM50415769
Wt: 287.4
BDBM50415771

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50006772,50415769,50415771   
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


(Homo sapiens (Human))
BDBM50415769
PNG
(CHEMBL1089390)
Show SMILES CN[C@@H]1CCN(C1)c1nc(N)nc2c1CCCC21CCCC1
Show InChI InChI=1S/C17H27N5/c1-19-12-6-10-22(11-12)15-13-5-4-9-17(7-2-3-8-17)14(13)20-16(18)21-15/h12,19H,2-11H2,1H3,(H2,18,20,21)/t12-/m1/s1
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2n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-histamine from human histamine H4 receptor expressed in HEK293 cells after 1 hr by liquid scintillation counting


Bioorg Med Chem Lett 20: 1900-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.131
BindingDB Entry DOI: 10.7270/Q21V5G6X
More data for this
Ligand-Target Pair
Histamine H4 Receptor


(Rattus norvegicus (rat))
BDBM50415769
PNG
(CHEMBL1089390)
Show SMILES CN[C@@H]1CCN(C1)c1nc(N)nc2c1CCCC21CCCC1
Show InChI InChI=1S/C17H27N5/c1-19-12-6-10-22(11-12)15-13-5-4-9-17(7-2-3-8-17)14(13)20-16(18)21-15/h12,19H,2-11H2,1H3,(H2,18,20,21)/t12-/m1/s1
KEGG

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GoogleScholar
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PC cid
PC sid
UniChem

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Article
PubMed
2.63n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-histamine from rat histamine H4 receptor after 1 hr by liquid scintillation counting


Bioorg Med Chem Lett 20: 1900-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.131
BindingDB Entry DOI: 10.7270/Q21V5G6X
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50006772
PNG
(CHEMBL3236582)
Show SMILES CN[C@@H]1CCN(C1)c1nc(N)nc2CCCCc12
Show InChI InChI=1S/C13H21N5/c1-15-9-6-7-18(8-9)12-10-4-2-3-5-11(10)16-13(14)17-12/h9,15H,2-8H2,1H3,(H2,14,16,17)/t9-/m1/s1
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PubMed
43n/an/an/an/an/an/an/an/a



Janssen Research& Development, LLC

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human recombinant histamine H4 receptor expressed in SK-N-MC cells after 45 mins by competition binding analysis


J Med Chem 57: 2429-39 (2014)


Article DOI: 10.1021/jm401727m
BindingDB Entry DOI: 10.7270/Q25H7HSH
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50415769
PNG
(CHEMBL1089390)
Show SMILES CN[C@@H]1CCN(C1)c1nc(N)nc2c1CCCC21CCCC1
Show InChI InChI=1S/C17H27N5/c1-19-12-6-10-22(11-12)15-13-5-4-9-17(7-2-3-8-17)14(13)20-16(18)21-15/h12,19H,2-11H2,1H3,(H2,18,20,21)/t12-/m1/s1
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72.4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from rat histamine H3 receptor expressed in C6 cells after 1 hr by liquid scintillation counting


Bioorg Med Chem Lett 20: 1900-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.131
BindingDB Entry DOI: 10.7270/Q21V5G6X
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50415771
PNG
(CHEMBL1081680)
Show SMILES N[C@@H]1CCN(C1)c1nc(N)nc2c1CCCC21CCCC1
Show InChI InChI=1S/C16H25N5/c17-11-5-9-21(10-11)14-12-4-3-8-16(6-1-2-7-16)13(12)19-15(18)20-14/h11H,1-10,17H2,(H2,18,19,20)/t11-/m1/s1
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Article
PubMed
79.4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from rat histamine H3 receptor expressed in C6 cells after 1 hr by liquid scintillation counting


Bioorg Med Chem Lett 20: 1900-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.131
BindingDB Entry DOI: 10.7270/Q21V5G6X
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50415769
PNG
(CHEMBL1089390)
Show SMILES CN[C@@H]1CCN(C1)c1nc(N)nc2c1CCCC21CCCC1
Show InChI InChI=1S/C17H27N5/c1-19-12-6-10-22(11-12)15-13-5-4-9-17(7-2-3-8-17)14(13)20-16(18)21-15/h12,19H,2-11H2,1H3,(H2,18,20,21)/t12-/m1/s1
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PubMed
105n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human histamine H3 receptor expressed in C6 cells after 1 hr by liquid scintillation counting


Bioorg Med Chem Lett 20: 1900-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.131
BindingDB Entry DOI: 10.7270/Q21V5G6X
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50415771
PNG
(CHEMBL1081680)
Show SMILES N[C@@H]1CCN(C1)c1nc(N)nc2c1CCCC21CCCC1
Show InChI InChI=1S/C16H25N5/c17-11-5-9-21(10-11)14-12-4-3-8-16(6-1-2-7-16)13(12)19-15(18)20-14/h11H,1-10,17H2,(H2,18,19,20)/t11-/m1/s1
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PC cid
PC sid
UniChem

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Article
PubMed
295n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human histamine H3 receptor expressed in C6 cells after 1 hr by liquid scintillation counting


Bioorg Med Chem Lett 20: 1900-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.131
BindingDB Entry DOI: 10.7270/Q21V5G6X
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50006772
PNG
(CHEMBL3236582)
Show SMILES CN[C@@H]1CCN(C1)c1nc(N)nc2CCCCc12
Show InChI InChI=1S/C13H21N5/c1-15-9-6-7-18(8-9)12-10-4-2-3-5-11(10)16-13(14)17-12/h9,15H,2-8H2,1H3,(H2,14,16,17)/t9-/m1/s1
Reactome pathway
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PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Janssen Research& Development, LLC

Curated by ChEMBL


Assay Description
Agonist activity at human H4 receptor


J Med Chem 57: 2429-39 (2014)


Article DOI: 10.1021/jm401727m
BindingDB Entry DOI: 10.7270/Q25H7HSH
More data for this
Ligand-Target Pair