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BDBM50326291 3-(4-tert-Butylphenylthio)-2-(1H-imidazol-4-yl)-N-methylpropane-1-amine::CHEMBL1243304

SMILES: CNCC(CSc1ccc(cc1)C(C)(C)C)c1cnc[nH]1

InChI Key: InChIKey=CIHOROYSJCZFIG-UHFFFAOYSA-N

Data: 1 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 2 hits for monomerid = 50326291   
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)


(Homo sapiens (Human))
BDBM50326291
PNG
(3-(4-tert-Butylphenylthio)-2-(1H-imidazol-4-yl)-N-...)
Show SMILES CNCC(CSc1ccc(cc1)C(C)(C)C)c1cnc[nH]1
Show InChI InChI=1S/C17H25N3S/c1-17(2,3)14-5-7-15(8-6-14)21-11-13(9-18-4)16-10-19-12-20-16/h5-8,10,12-13,18H,9,11H2,1-4H3,(H,19,20)
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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
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]-(R)-alpha-methylhistamine from human histamine H3 receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 53: 6445-56 (2010)


Article DOI: 10.1021/jm100643t
BindingDB Entry DOI: 10.7270/Q2QF8T3X
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50326291
PNG
(3-(4-tert-Butylphenylthio)-2-(1H-imidazol-4-yl)-N-...)
Show SMILES CNCC(CSc1ccc(cc1)C(C)(C)C)c1cnc[nH]1
Show InChI InChI=1S/C17H25N3S/c1-17(2,3)14-5-7-15(8-6-14)21-11-13(9-18-4)16-10-19-12-20-16/h5-8,10,12-13,18H,9,11H2,1-4H3,(H,19,20)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>1.00E+3n/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human histamine H3 receptor expressed in CHO cells assessed as [35S]GTPgammaS binding


J Med Chem 53: 6445-56 (2010)


Article DOI: 10.1021/jm100643t
BindingDB Entry DOI: 10.7270/Q2QF8T3X
More data for this
Ligand-Target Pair