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2 similar compounds to monomer 50317865

Compile data set for download or QSAR
Wt: 246.3
BDBM50098203
Wt: 272.2
BDBM50317864

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50098203,50317864   
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


(Rattus norvegicus (rat))
BDBM50098203
PNG
(1-{4-[2-(1H-Imidazol-4-yl)-ethylsulfanyl]-phenyl}-...)
Show SMILES CC(=O)c1ccc(SCCc2cnc[nH]2)cc1
Show InChI InChI=1S/C13H14N2OS/c1-10(16)11-2-4-13(5-3-11)17-7-6-12-8-14-9-15-12/h2-5,8-9H,6-7H2,1H3,(H,14,15)
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UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.110n/an/an/an/an/an/an/an/a



Freie Universität Berlin

Curated by ChEMBL


Assay Description
Inhibition of [125I]-iodoproxyfan from rat histamine H3 receptor expressed in CHO-K1 cells


Bioorg Med Chem Lett 11: 951-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00090-7
BindingDB Entry DOI: 10.7270/Q28P5ZRB
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50317864
PNG
(4-(2-(4-Trifluoromethylphenylamino)ethyl)-1H-imida...)
Show SMILES FC(F)(F)c1ccc(SCCc2cnc[nH]2)cc1
Show InChI InChI=1S/C12H11F3N2S/c13-12(14,15)9-1-3-11(4-2-9)18-6-5-10-7-16-8-17-10/h1-4,7-8H,5-6H2,(H,16,17)
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KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.10n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H[N-alpha-methylhistamine form human recombinant histamine H3 receptor expressed in CHO cells after 1 hr by liquid scintillation co...


J Med Chem 53: 3840-4 (2010)


Article DOI: 10.1021/jm901890s
BindingDB Entry DOI: 10.7270/Q21Z44KC
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50098203
PNG
(1-{4-[2-(1H-Imidazol-4-yl)-ethylsulfanyl]-phenyl}-...)
Show SMILES CC(=O)c1ccc(SCCc2cnc[nH]2)cc1
Show InChI InChI=1S/C13H14N2OS/c1-10(16)11-2-4-13(5-3-11)17-7-6-12-8-14-9-15-12/h2-5,8-9H,6-7H2,1H3,(H,14,15)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.10n/an/an/an/an/an/an/an/a



Freie Universität Berlin

Curated by ChEMBL


Assay Description
Inhibition of [125I]-iodoproxyfan binding to human histamine H3 receptor of CHO-K1 cells


Bioorg Med Chem Lett 11: 951-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00090-7
BindingDB Entry DOI: 10.7270/Q28P5ZRB
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50317864
PNG
(4-(2-(4-Trifluoromethylphenylamino)ethyl)-1H-imida...)
Show SMILES FC(F)(F)c1ccc(SCCc2cnc[nH]2)cc1
Show InChI InChI=1S/C12H11F3N2S/c13-12(14,15)9-1-3-11(4-2-9)18-6-5-10-7-16-8-17-10/h1-4,7-8H,5-6H2,(H,16,17)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 19n/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by ChEMBL


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


J Med Chem 53: 3840-4 (2010)


Article DOI: 10.1021/jm901890s
BindingDB Entry DOI: 10.7270/Q21Z44KC
More data for this
Ligand-Target Pair