BDBM50264919 3-(2-chloro-4-fluorophenyl)-5-(1-(piperidin-4-yl)-1H-pyrazol-4-yl)isoxazole::CHEMBL522077

SMILES: Fc1ccc(-c2cc(on2)-c2cnn(c2)C2CCNCC2)c(Cl)c1

InChI Key: InChIKey=GRTMAMUATTYINL-UHFFFAOYSA-N

Data: 1 EC50

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 = 50264919   

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
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (Human))	BDBM50264919 (3-(2-chloro-4-fluorophenyl)-5-(1-(piperidin-4-yl)-...) Show SMILES Fc1ccc(-c2cc(on2)-c2cnn(c2)C2CCNCC2)c(Cl)c1 Show InChI InChI=1S/C17H16ClFN4O/c18-15-7-12(19)1-2-14(15)16-8-17(24-22-16)11-9-21-23(10-11)13-3-5-20-6-4-13/h1-2,7-10,13,20H,3-6H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	220	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Activation of human alpha4beta2 nAChR assessed as potentiation of submaximal response to nicotine induced current				Bioorg Med Chem Lett 18: 5209-12 (2008) Article DOI: 10.1016/j.bmcl.2008.08.080 BindingDB Entry DOI: 10.7270/Q2SX6D26
					More data for this Ligand-Target Pair