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)	Ligand	Target/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	pH	Temp °C
Histamine H4 receptor (Homo sapiens (Human))	BDBM22865 (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 MCE PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	>-7.09	n/a	n/a	n/a	n/a	n/a	7.4	37
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 H1 receptor (Homo sapiens (Human))	BDBM22865 (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	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Inhibitory activity against human Histamine H1 receptor				J Med Chem 46: 5812-24 (2003) Article DOI: 10.1021/jm030936t BindingDB Entry DOI: 10.7270/Q2GT5PF7
					More data for this Ligand-Target Pair