BDBM50329578 (-)-9-Bromocytisine::(1R,5S)-9-Bromo-1,2,3,4,5,6-hexahydro-1,5-methano-pyrido[1,2-a][1,5]diazocin-8-one::3-bromocytisine::CHEMBL365956

SMILES: Brc1ccc2[C@H]3CNC[C@H](C3)Cn2c1=O

InChI Key: InChIKey=DWDCLEHDNICBMI-UHFFFAOYSA-N

Data: 2 KI  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 4 hits for monomerid = 50329578   

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 protein alpha-4/beta-2 subunit (Rattus norvegicus (Rat))	BDBM50329578 ((-)-9-Bromocytisine | (1R,5S)-9-Bromo-1,2,3,4,5,6-...) Show SMILES Brc1ccc2[C@H]3CNC[C@H](C3)Cn2c1=O |r| Show InChI InChI=1S/C11H13BrN2O/c12-9-1-2-10-8-3-7(4-13-5-8)6-14(10)11(9)15/h1-2,7-8,13H,3-6H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.116	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ENSICAEN-Université de Caen Basse-Normandie Curated by ChEMBL					Assay Description Displacement of [3H]cytisine from rat alpha4beta2 nAChR in rat brain cell membrane				Bioorg Med Chem Lett 20: 6667-70 (2010) Article DOI: 10.1016/j.bmcl.2010.09.017 BindingDB Entry DOI: 10.7270/Q27M085J
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor (Rattus norvegicus (Rat))	BDBM50329578 ((-)-9-Bromocytisine | (1R,5S)-9-Bromo-1,2,3,4,5,6-...) Show SMILES Brc1ccc2[C@H]3CNC[C@H](C3)Cn2c1=O |r| Show InChI InChI=1S/C11H13BrN2O/c12-9-1-2-10-8-3-7(4-13-5-8)6-14(10)11(9)15/h1-2,7-8,13H,3-6H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	401	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ENSICAEN-Université de Caen Basse-Normandie Curated by ChEMBL					Assay Description Displacement of [125I]alphaBungarotoxin from alpha7 nAchR in rat brain cell membrane				Bioorg Med Chem Lett 20: 6667-70 (2010) Article DOI: 10.1016/j.bmcl.2010.09.017 BindingDB Entry DOI: 10.7270/Q27M085J
					More data for this Ligand-Target Pair
Cholinergic, Nicotinic Alpha3Beta2 (Homo sapiens (Human))	BDBM50329578 ((-)-9-Bromocytisine | (1R,5S)-9-Bromo-1,2,3,4,5,6-...) Show SMILES Brc1ccc2[C@H]3CNC[C@H](C3)Cn2c1=O |r| Show InChI InChI=1S/C11H13BrN2O/c12-9-1-2-10-8-3-7(4-13-5-8)6-14(10)11(9)15/h1-2,7-8,13H,3-6H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15.6	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research& Development Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from alpha3 nAChR in human IMR32 cells				Bioorg Med Chem Lett 19: 4747-51 (2009) Article DOI: 10.1016/j.bmcl.2009.06.059 BindingDB Entry DOI: 10.7270/Q21G0N69
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit (Rattus norvegicus (Rat))	BDBM50329578 ((-)-9-Bromocytisine | (1R,5S)-9-Bromo-1,2,3,4,5,6-...) Show SMILES Brc1ccc2[C@H]3CNC[C@H](C3)Cn2c1=O |r| Show InChI InChI=1S/C11H13BrN2O/c12-9-1-2-10-8-3-7(4-13-5-8)6-14(10)11(9)15/h1-2,7-8,13H,3-6H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.309	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Investigaciones Biol£gicas Clemente Estable Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from rat alpha4beta2 nAChR				Bioorg Med Chem Lett 20: 3683-7 (2010) Article DOI: 10.1016/j.bmcl.2010.04.092 BindingDB Entry DOI: 10.7270/Q26Q212S
					More data for this Ligand-Target Pair