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BDBM22906 3-(1H-imidazol-5-yl)propan-1-amine::Homohistamine

SMILES: NCCCc1cnc[nH]1

InChI Key: InChIKey=IHDFTEVCMVTMSP-UHFFFAOYSA-N

Data: 2 KI  1 Kd

PDB links: 25 PDB IDs contain this monomer as substructures. 25 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

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 3 hits for monomerid = 22906   
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 H4 receptor


(Homo sapiens (Human))
BDBM22906
PNG
(3-(1H-imidazol-5-yl)propan-1-amine | Homohistamine)
Show SMILES NCCCc1cnc[nH]1
Show InChI InChI=1S/C6H11N3/c7-3-1-2-6-4-8-5-9-6/h4-5H,1-3,7H2,(H,8,9)
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KEGG

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PC sid
UniChem

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Article
PubMed
32n/an/an/an/an/an/an/an/a



Vrije Universiteit Amsterdam



Assay Description
Ligand displacement assays were performed on The SK-N-MC/hH4R cell homogenates. Retained radioactivity was determined by liquid scintillation countin...


J Pharmacol Exp Ther 314: 1310-21 (2005)


Article DOI: 10.1124/jpet.105.087965
BindingDB Entry DOI: 10.7270/Q2KD1W6V
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM22906
PNG
(3-(1H-imidazol-5-yl)propan-1-amine | Homohistamine)
Show SMILES NCCCc1cnc[nH]1
Show InChI InChI=1S/C6H11N3/c7-3-1-2-6-4-8-5-9-6/h4-5H,1-3,7H2,(H,8,9)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents

Article
PubMed
50n/an/an/an/an/an/an/an/a



Vrije Universiteit Amsterdam



Assay Description
Ligand displacement assays were performed on The SK-N-MC/hH3R cell homogenates. Retained radioactivity was determined by liquid scintillation countin...


J Pharmacol Exp Ther 314: 1310-21 (2005)


Article DOI: 10.1124/jpet.105.087965
BindingDB Entry DOI: 10.7270/Q2KD1W6V
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM22906
PNG
(3-(1H-imidazol-5-yl)propan-1-amine | Homohistamine)
Show SMILES NCCCc1cnc[nH]1
Show InChI InChI=1S/C6H11N3/c7-3-1-2-6-4-8-5-9-6/h4-5H,1-3,7H2,(H,8,9)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents

PubMed
n/an/an/a 1.26E+3n/an/an/an/an/a



Vrije Universiteit Amsterdam

Curated by ChEMBL


Assay Description
Tested in vitro for antagonist activity against H3 receptor of guinea pig jejunum.


J Med Chem 38: 266-71 (1995)


BindingDB Entry DOI: 10.7270/Q2QF8V3B
More data for this
Ligand-Target Pair