BDBM50441362 CHEMBL2435282

SMILES: N#C\C(=C1/CN2CCC1CC2)c1ccccc1

InChI Key: InChIKey=BUIDKUNZHWUHMI-PFONDFGASA-N

Data: 1 KI

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 = 50441362   

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 Alpha-4/Beta-2 (Homo sapiens (Human))	BDBM50441362 (CHEMBL2435282) Show SMILES N#C\C(=C1/CN2CCC1CC2)c1ccccc1 |(11.53,-20.13,;10.19,-19.36,;8.86,-18.59,;7.53,-19.35,;7.53,-20.89,;6.2,-21.65,;4.87,-20.89,;4.87,-19.35,;6.2,-18.57,;5.41,-19.9,;6.59,-20.16,;8.87,-17.05,;10.2,-16.29,;10.21,-14.75,;8.88,-13.97,;7.54,-14.75,;7.54,-16.28,)| Show InChI InChI=1S/C15H16N2/c16-10-14(12-4-2-1-3-5-12)15-11-17-8-6-13(15)7-9-17/h1-5,13H,6-9,11H2/b15-14-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Targacept, Inc Curated by ChEMBL					Assay Description Displacement of [3H]nicotine from human alpha4beta2 nAChR expressed in human SH-EP1 cell membranes after 2 hrs by liquid scintillation counting analy...				Bioorg Med Chem Lett 23: 4842-7 (2013) Article DOI: 10.1016/j.bmcl.2013.06.094 BindingDB Entry DOI: 10.7270/Q2VT1THP
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