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BDBM22865 2-(2-aminoethyl)pyridine::2-(pyridin-2-yl)ethan-1-amine::PEA

SMILES: NCCc1ccccn1

InChI Key: InChIKey=XPQIPUZPSLAZDV-UHFFFAOYSA-N

Data: 1 KI  1 IC50

PDB links: 15 PDB IDs contain this monomer as substructures. 15 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 2 hits for monomerid = 22865   
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 (H4)


(Homo sapiens (human))
BDBM22865
PNG
(2-(2-aminoethyl)pyridine | 2-(pyridin-2-yl)ethan-1...)
Show SMILES NCCc1ccccn1
Show InChI InChI=1S/C7H10N2/c8-5-4-7-3-1-2-6-9-7/h1-3,6H,4-5,8H2
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Similars

Article
PubMed
>1.00E+4>-7.09n/an/an/an/an/a7.437



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)

More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (human))
BDBM22865
PNG
(2-(2-aminoethyl)pyridine | 2-(pyridin-2-yl)ethan-1...)
Show SMILES NCCc1ccccn1
Show InChI InChI=1S/C7H10N2/c8-5-4-7-3-1-2-6-9-7/h1-3,6H,4-5,8H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents


Similars

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



Vrije Universiteit Amsterdam

Curated by ChEMBL


Assay Description
Inhibitory activity against human Histamine H1 receptor


J Med Chem 46: 5812-24 (2003)

More data for this
Ligand-Target Pair