BDBM50279246 CHEMBL499636::N-(4-Phenylbutyl)cytisine

SMILES: O=c1cccc2[C@@H]3C[C@@H](CN(CCCCc4ccccc4)C3)Cn12

InChI Key: InChIKey=RGGAGOSFRSBJOB-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50279246   

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 (Rattus norvegicus (Rat))	BDBM50279246 (CHEMBL499636 | N-(4-Phenylbutyl)cytisine) Show SMILES O=c1cccc2[C@@H]3C[C@@H](CN(CCCCc4ccccc4)C3)Cn12 |r| Show InChI InChI=1S/C21H26N2O/c24-21-11-6-10-20-19-13-18(15-23(20)21)14-22(16-19)12-5-4-9-17-7-2-1-3-8-17/h1-3,6-8,10-11,18-19H,4-5,9,12-16H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.22E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Genova Curated by ChEMBL					Assay Description Displacement of [3H]cytisine from alpha4beta2 nicotinic acetylcholine receptor in rat brain cortex membrane homogenates				J Med Chem 52: 4345-57 (2009) Article DOI: 10.1021/jm900225j BindingDB Entry DOI: 10.7270/Q2K64J03
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor (Rattus norvegicus (Rat))	BDBM50279246 (CHEMBL499636 | N-(4-Phenylbutyl)cytisine) Show SMILES O=c1cccc2[C@@H]3C[C@@H](CN(CCCCc4ccccc4)C3)Cn12 |r| Show InChI InChI=1S/C21H26N2O/c24-21-11-6-10-20-19-13-18(15-23(20)21)14-22(16-19)12-5-4-9-17-7-2-1-3-8-17/h1-3,6-8,10-11,18-19H,4-5,9,12-16H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Genova Curated by ChEMBL					Assay Description Displacement of (+/-)-[3H]epibatidine from alpha4beta2 nicotinic acetylcholine receptor in rat brain cortex membrane homogenates				J Med Chem 52: 4345-57 (2009) Article DOI: 10.1021/jm900225j BindingDB Entry DOI: 10.7270/Q2K64J03
					More data for this Ligand-Target Pair