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SMILES: CC(=O)c1ccc(SCCCc2cnc[nH]2)cc1

InChI Key: InChIKey=OANZRCLGNSCCAZ-UHFFFAOYSA-N

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50098205   
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))
BDBM50098205
PNG
(1-{4-[3-(1H-Imidazol-4-yl)-propylsulfanyl]-phenyl}...)
Show SMILES CC(=O)c1ccc(SCCCc2cnc[nH]2)cc1
Show InChI InChI=1S/C14H16N2OS/c1-11(17)12-4-6-14(7-5-12)18-8-2-3-13-9-15-10-16-13/h4-7,9-10H,2-3,8H2,1H3,(H,15,16)
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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
18n/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)


BindingDB Entry DOI: 10.7270/Q28P5ZRB
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50098205
PNG
(1-{4-[3-(1H-Imidazol-4-yl)-propylsulfanyl]-phenyl}...)
Show SMILES CC(=O)c1ccc(SCCCc2cnc[nH]2)cc1
Show InChI InChI=1S/C14H16N2OS/c1-11(17)12-4-6-14(7-5-12)18-8-2-3-13-9-15-10-16-13/h4-7,9-10H,2-3,8H2,1H3,(H,15,16)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
44n/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)


BindingDB Entry DOI: 10.7270/Q28P5ZRB
More data for this
Ligand-Target Pair