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BDBM50321816 4-((1H-Imidazol-4-yl)methyl)-1-(4-methoxyphenyl)piperidine::CHEMBL1172775

SMILES: COc1ccc(cc1)N1CCC(Cc2cnc[nH]2)CC1

InChI Key: InChIKey=XGWXPMUNGMSGIF-UHFFFAOYSA-N

Data: 4 KI  1 EC50

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 5 hits for monomerid = 50321816   
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 H3 receptor


(Homo sapiens (Human))
BDBM50321816
PNG
(4-((1H-Imidazol-4-yl)methyl)-1-(4-methoxyphenyl)pi...)
Show SMILES COc1ccc(cc1)N1CCC(Cc2cnc[nH]2)CC1
Show InChI InChI=1S/C16H21N3O/c1-20-16-4-2-15(3-5-16)19-8-6-13(7-9-19)10-14-11-17-12-18-14/h2-5,11-13H,6-10H2,1H3,(H,17,18)
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PC sid
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Similars

Article
PubMed
5.40n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H] (R)-alpha-methylhistamine from human recombinant histamine H3 receptor expressed in CHO cells after 1 hr by liquid scintillation...


Bioorg Med Chem 18: 5441-8 (2010)


Article DOI: 10.1016/j.bmc.2010.04.052
BindingDB Entry DOI: 10.7270/Q2C82B88
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50321816
PNG
(4-((1H-Imidazol-4-yl)methyl)-1-(4-methoxyphenyl)pi...)
Show SMILES COc1ccc(cc1)N1CCC(Cc2cnc[nH]2)CC1
Show InChI InChI=1S/C16H21N3O/c1-20-16-4-2-15(3-5-16)19-8-6-13(7-9-19)10-14-11-17-12-18-14/h2-5,11-13H,6-10H2,1H3,(H,17,18)
PDB

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Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rilamine from human histamine H1 receptor expressed in CHO cells after 1 hr by liquid scintillation counting


Bioorg Med Chem 18: 5441-8 (2010)


Article DOI: 10.1016/j.bmc.2010.04.052
BindingDB Entry DOI: 10.7270/Q2C82B88
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50321816
PNG
(4-((1H-Imidazol-4-yl)methyl)-1-(4-methoxyphenyl)pi...)
Show SMILES COc1ccc(cc1)N1CCC(Cc2cnc[nH]2)CC1
Show InChI InChI=1S/C16H21N3O/c1-20-16-4-2-15(3-5-16)19-8-6-13(7-9-19)10-14-11-17-12-18-14/h2-5,11-13H,6-10H2,1H3,(H,17,18)
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Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]aminopotentidine from human histamine H2 receptor expressed in CHO-K1 cells after 1 hr by liquid scintillation counting


Bioorg Med Chem 18: 5441-8 (2010)


Article DOI: 10.1016/j.bmc.2010.04.052
BindingDB Entry DOI: 10.7270/Q2C82B88
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50321816
PNG
(4-((1H-Imidazol-4-yl)methyl)-1-(4-methoxyphenyl)pi...)
Show SMILES COc1ccc(cc1)N1CCC(Cc2cnc[nH]2)CC1
Show InChI InChI=1S/C16H21N3O/c1-20-16-4-2-15(3-5-16)19-8-6-13(7-9-19)10-14-11-17-12-18-14/h2-5,11-13H,6-10H2,1H3,(H,17,18)
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Article
PubMed
3.10E+3n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in CHO-K1 cells after 1 hr by liquid scintillation counting


Bioorg Med Chem 18: 5441-8 (2010)


Article DOI: 10.1016/j.bmc.2010.04.052
BindingDB Entry DOI: 10.7270/Q2C82B88
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50321816
PNG
(4-((1H-Imidazol-4-yl)methyl)-1-(4-methoxyphenyl)pi...)
Show SMILES COc1ccc(cc1)N1CCC(Cc2cnc[nH]2)CC1
Show InChI InChI=1S/C16H21N3O/c1-20-16-4-2-15(3-5-16)19-8-6-13(7-9-19)10-14-11-17-12-18-14/h2-5,11-13H,6-10H2,1H3,(H,17,18)
Reactome pathway
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a 7.60n/an/an/an/a



Meiji Seika Kaisha, Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant histamine H3 receptor expressed in CHO-K1 cells assessed as [35S]GTPgammaS binding after 1 hr by liquid scintil...


Bioorg Med Chem 18: 5441-8 (2010)


Article DOI: 10.1016/j.bmc.2010.04.052
BindingDB Entry DOI: 10.7270/Q2C82B88
More data for this
Ligand-Target Pair