BDBM50100706 2-Bromo-5-(1-methyl-pyrrolidin-2-yl)-pyridine::CHEMBL58231

SMILES: CN1CCCC1c1ccc(Br)nc1

InChI Key: InChIKey=QKSAQBUVZWITMX-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 = 50100706   

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))	BDBM50100706 (2-Bromo-5-(1-methyl-pyrrolidin-2-yl)-pyridine | CH...) Show SMILES CN1CCCC1c1ccc(Br)nc1 Show InChI InChI=1S/C10H13BrN2/c1-13-6-2-3-9(13)8-4-5-10(11)12-7-8/h4-5,7,9H,2-3,6H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	PubMed	0.450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of [3H]-nicotine binding at the nicotinic acetylcholine receptor alpha4-beta2				J Med Chem 44: 2229-37 (2001) BindingDB Entry DOI: 10.7270/Q2BV7HVD
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit (Rattus norvegicus (Rat))	BDBM50100706 (2-Bromo-5-(1-methyl-pyrrolidin-2-yl)-pyridine | CH...) Show SMILES CN1CCCC1c1ccc(Br)nc1 Show InChI InChI=1S/C10H13BrN2/c1-13-6-2-3-9(13)8-4-5-10(11)12-7-8/h4-5,7,9H,2-3,6H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Binding affinity for rat brain Nicotinic acetylcholine receptor alpha4-beta2 using [3H]S-(-)-nicotine				Bioorg Med Chem Lett 15: 4308-12 (2005) Article DOI: 10.1016/j.bmcl.2005.06.053 BindingDB Entry DOI: 10.7270/Q2MW2KWM
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit (Rattus norvegicus (Rat))	BDBM50100706 (2-Bromo-5-(1-methyl-pyrrolidin-2-yl)-pyridine | CH...) Show SMILES CN1CCCC1c1ccc(Br)nc1 Show InChI InChI=1S/C10H13BrN2/c1-13-6-2-3-9(13)8-4-5-10(11)12-7-8/h4-5,7,9H,2-3,6H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Affinity at alpha4-beta2 nACh receptors in rat brain (minus cerebellum) homogenates.				Bioorg Med Chem Lett 13: 733-5 (2003) BindingDB Entry DOI: 10.7270/Q2FT8NKF
					More data for this Ligand-Target Pair