BDBM50073443 2-{3-[4-(3-Chloro-phenyl)-piperazin-1-yl]-butyl}-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one::CHEMBL117507

SMILES: CC(CCn1nc2ccccn2c1=O)N1CCN(CC1)c1cccc(Cl)c1

InChI Key: InChIKey=KNYIQWUXTSJAQW-UHFFFAOYSA-N

Data: 1 IC50

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 1 hit for monomerid = 50073443   

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
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50073443 (2-{3-[4-(3-Chloro-phenyl)-piperazin-1-yl]-butyl}-2...) Show SMILES CC(CCn1nc2ccccn2c1=O)N1CCN(CC1)c1cccc(Cl)c1 Show InChI InChI=1S/C20H24ClN5O/c1-16(8-10-26-20(27)25-9-3-2-7-19(25)22-26)23-11-13-24(14-12-23)18-6-4-5-17(21)15-18/h2-7,9,15-16H,8,10-14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Angelini Ricerche S.p.A. Curated by ChEMBL					Assay Description Compound was tested for the inhibition of [3H]-ketanserin binding to 5-hydroxytryptamine 2A receptor				J Med Chem 42: 336-45 (1999) Article DOI: 10.1021/jm970700n BindingDB Entry DOI: 10.7270/Q2Q52NSS
					More data for this Ligand-Target Pair