BDBM50279243 CHEMBL526340::N-[3-(4-Fluorophenyl)propyl]cytisine

SMILES: Fc1ccc(CCCN2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1

InChI Key: InChIKey=CUPLVGMPOUXCKN-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50279243   

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))	BDBM50279243 (CHEMBL526340 | N-[3-(4-Fluorophenyl)propyl]cytisin...) Show SMILES Fc1ccc(CCCN2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1 |r| Show InChI InChI=1S/C20H23FN2O/c21-18-8-6-15(7-9-18)3-2-10-22-12-16-11-17(14-22)19-4-1-5-20(24)23(19)13-16/h1,4-9,16-17H,2-3,10-14H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	611	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))	BDBM50279243 (CHEMBL526340 | N-[3-(4-Fluorophenyl)propyl]cytisin...) Show SMILES Fc1ccc(CCCN2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1 |r| Show InChI InChI=1S/C20H23FN2O/c21-18-8-6-15(7-9-18)3-2-10-22-12-16-11-17(14-22)19-4-1-5-20(24)23(19)13-16/h1,4-9,16-17H,2-3,10-14H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.00E+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
Neuronal acetylcholine receptor (Rattus norvegicus (Rat))	BDBM50279243 (CHEMBL526340 | N-[3-(4-Fluorophenyl)propyl]cytisin...) Show SMILES Fc1ccc(CCCN2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1 |r| Show InChI InChI=1S/C20H23FN2O/c21-18-8-6-15(7-9-18)3-2-10-22-12-16-11-17(14-22)19-4-1-5-20(24)23(19)13-16/h1,4-9,16-17H,2-3,10-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+4	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 [125I]alpha-bungarotoxin from alpha7 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