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BDBM50483136 CHEMBL1632411

SMILES: CN1CCC(CC1)C(=N\O)\c1cc2ccccc2[nH]1

InChI Key: InChIKey=MQAUVLYNYCPXHD-ICFOKQHNSA-N

Data: 6 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50483136   
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 receptor (H3 and H4)


(Homo sapiens (Human))
BDBM50483136
PNG
(CHEMBL1632411)
Show SMILES CN1CCC(CC1)C(=N\O)\c1cc2ccccc2[nH]1
Show InChI InChI=1S/C15H19N3O/c1-18-8-6-11(7-9-18)15(17-19)14-10-12-4-2-3-5-13(12)16-14/h2-5,10-11,16,19H,6-9H2,1H3/b17-15-
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50n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant histamine H4 receptor expressed in human SK-N-MC cells by radioligand displacement assay


Bioorg Med Chem Lett 20: 7191-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.041
BindingDB Entry DOI: 10.7270/Q2Q81GX5
More data for this
Ligand-Target Pair
Histamine H4 Receptor


(Mus musculus (mouse))
BDBM50483136
PNG
(CHEMBL1632411)
Show SMILES CN1CCC(CC1)C(=N\O)\c1cc2ccccc2[nH]1
Show InChI InChI=1S/C15H19N3O/c1-18-8-6-11(7-9-18)15(17-19)14-10-12-4-2-3-5-13(12)16-14/h2-5,10-11,16,19H,6-9H2,1H3/b17-15-
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100n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Binding affinity to mouse histamine H4 receptor expressed in human SK-N-MC cells by radioligand displacement assay


Bioorg Med Chem Lett 20: 7191-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.041
BindingDB Entry DOI: 10.7270/Q2Q81GX5
More data for this
Ligand-Target Pair
Histamine H4 Receptor


(Rattus norvegicus (rat))
BDBM50483136
PNG
(CHEMBL1632411)
Show SMILES CN1CCC(CC1)C(=N\O)\c1cc2ccccc2[nH]1
Show InChI InChI=1S/C15H19N3O/c1-18-8-6-11(7-9-18)15(17-19)14-10-12-4-2-3-5-13(12)16-14/h2-5,10-11,16,19H,6-9H2,1H3/b17-15-
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UniChem
Article
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316n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Binding affinity to rat histamine H4 receptor expressed in human SK-N-MC cells by radioligand displacement assay


Bioorg Med Chem Lett 20: 7191-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.041
BindingDB Entry DOI: 10.7270/Q2Q81GX5
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Homo sapiens (Human))
BDBM50483136
PNG
(CHEMBL1632411)
Show SMILES CN1CCC(CC1)C(=N\O)\c1cc2ccccc2[nH]1
Show InChI InChI=1S/C15H19N3O/c1-18-8-6-11(7-9-18)15(17-19)14-10-12-4-2-3-5-13(12)16-14/h2-5,10-11,16,19H,6-9H2,1H3/b17-15-
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<1.00E+3n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant histamine H2 receptor expressed in human SK-N-MC cells by radioligand displacement assay


Bioorg Med Chem Lett 20: 7191-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.041
BindingDB Entry DOI: 10.7270/Q2Q81GX5
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50483136
PNG
(CHEMBL1632411)
Show SMILES CN1CCC(CC1)C(=N\O)\c1cc2ccccc2[nH]1
Show InChI InChI=1S/C15H19N3O/c1-18-8-6-11(7-9-18)15(17-19)14-10-12-4-2-3-5-13(12)16-14/h2-5,10-11,16,19H,6-9H2,1H3/b17-15-
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UniChem
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2.51E+3n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant histamine H3 receptor expressed in human SK-N-MC cells by radioligand displacement assay


Bioorg Med Chem Lett 20: 7191-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.041
BindingDB Entry DOI: 10.7270/Q2Q81GX5
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50483136
PNG
(CHEMBL1632411)
Show SMILES CN1CCC(CC1)C(=N\O)\c1cc2ccccc2[nH]1
Show InChI InChI=1S/C15H19N3O/c1-18-8-6-11(7-9-18)15(17-19)14-10-12-4-2-3-5-13(12)16-14/h2-5,10-11,16,19H,6-9H2,1H3/b17-15-
PDB

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PC sid
UniChem
Article
PubMed
<1.00E+4n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant histamine H1 receptor expressed in human SK-N-MC cells by radioligand displacement assay


Bioorg Med Chem Lett 20: 7191-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.041
BindingDB Entry DOI: 10.7270/Q2Q81GX5
More data for this
Ligand-Target Pair