BDBM50419817 CHEMBL1950638

SMILES: O=C(CCc1ccccc1)N1CCC(COC(=O)c2ccccc2-c2ccccc2)CC1

InChI Key: InChIKey=PLWYKADWBMNMNP-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 = 50419817   

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/beta-2 (Homo sapiens (Human))	BDBM50419817 (CHEMBL1950638) Show SMILES O=C(CCc1ccccc1)N1CCC(COC(=O)c2ccccc2-c2ccccc2)CC1 Show InChI InChI=1S/C28H29NO3/c30-27(16-15-22-9-3-1-4-10-22)29-19-17-23(18-20-29)21-32-28(31)26-14-8-7-13-25(26)24-11-5-2-6-12-24/h1-14,23H,15-21H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Antagonist activity at human nAChR alpha4/beta2 receptor expressed in HEK ts201 cells assessed as calcium accumulation by fluorescence analysis				Bioorg Med Chem Lett 22: 1797-813 (2012) Article DOI: 10.1016/j.bmcl.2011.11.051 BindingDB Entry DOI: 10.7270/Q22Z16S2
					More data for this Ligand-Target Pair