BDBM50149054 2-(3,3-Dimethyl-2,5-dioxo-pyrrolidin-1-yl)-benzoic acid 1-(3-phenyl-propyl)-piperidin-3-ylmethyl ester::CHEMBL123313

SMILES: CC1(C)CC(=O)N(C1=O)c1ccccc1C(=O)OCC1CCCN(CCCc2ccccc2)C1

InChI Key: InChIKey=RYQPJXOPUYSISP-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50149054   

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))	BDBM50149054 (2-(3,3-Dimethyl-2,5-dioxo-pyrrolidin-1-yl)-benzoic...) Show SMILES CC1(C)CC(=O)N(C1=O)c1ccccc1C(=O)OCC1CCCN(CCCc2ccccc2)C1 Show InChI InChI=1S/C28H34N2O4/c1-28(2)18-25(31)30(27(28)33)24-15-7-6-14-23(24)26(32)34-20-22-13-9-17-29(19-22)16-8-12-21-10-4-3-5-11-21/h3-7,10-11,14-15,22H,8-9,12-13,16-20H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.90E+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
Neuronal acetylcholine receptor subunit alpha-3/beta-4 (Homo sapiens (Human))	BDBM50149054 (2-(3,3-Dimethyl-2,5-dioxo-pyrrolidin-1-yl)-benzoic...) Show SMILES CC1(C)CC(=O)N(C1=O)c1ccccc1C(=O)OCC1CCCN(CCCc2ccccc2)C1 Show InChI InChI=1S/C28H34N2O4/c1-28(2)18-25(31)30(27(28)33)24-15-7-6-14-23(24)26(32)34-20-22-13-9-17-29(19-22)16-8-12-21-10-4-3-5-11-21/h3-7,10-11,14-15,22H,8-9,12-13,16-20H2,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ohio University Curated by ChEMBL					Assay Description Effect on alpha3-beta4 neuronal nicotinic acetylcholine receptor-stimulated adrenal catecholamine secretion				Bioorg Med Chem Lett 14: 3739-42 (2004) Article DOI: 10.1016/j.bmcl.2004.05.001 BindingDB Entry DOI: 10.7270/Q28G8M80
					More data for this Ligand-Target Pair