BDBM50201047 (1S,6R)-3-(5-methyl-pyridin-3-yl)-3,8-diaza-bicyclo[4.2.0]octane::(1S,6R)-3-(5-methylpyridin-3-yl)-3,8-diaza-bicyclo[4.2.0]octane::CHEMBL219644

SMILES: Cc1cncc(c1)N1CC[C@@H]2CN[C@@H]2C1

InChI Key: InChIKey=VRIYWCYUXQMBTC-ZYHUDNBSSA-N

Data: 3 EC50

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 = 50201047   

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 Alpha-4/Beta-2 (Homo sapiens (Human))	BDBM50201047 ((1S,6R)-3-(5-methyl-pyridin-3-yl)-3,8-diaza-bicycl...) Show SMILES Cc1cncc(c1)N1CC[C@@H]2CN[C@@H]2C1 |r| Show InChI InChI=1S/C12H17N3/c1-9-4-11(7-13-5-9)15-3-2-10-6-14-12(10)8-15/h4-5,7,10,12,14H,2-3,6,8H2,1H3/t10-,12-/m1/s1	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	n/a	n/a	650	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Agonist activity at human alpha4beta2 ACHR expressed in HEK293 cells assessed as change in intracellular calcium concentration by FLIPR				J Med Chem 49: 7843-53 (2006) Article DOI: 10.1021/jm060846z BindingDB Entry DOI: 10.7270/Q28G8MZZ
					More data for this Ligand-Target Pair
Cholinergic, Nicotinic Alpha3Beta2 (Homo sapiens (Human))	BDBM50201047 ((1S,6R)-3-(5-methyl-pyridin-3-yl)-3,8-diaza-bicycl...) Show SMILES Cc1cncc(c1)N1CC[C@@H]2CN[C@@H]2C1 |r| Show InChI InChI=1S/C12H17N3/c1-9-4-11(7-13-5-9)15-3-2-10-6-14-12(10)8-15/h4-5,7,10,12,14H,2-3,6,8H2,1H3/t10-,12-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.41E+3	n/a	n/a	n/a	n/a
Burnham Institute for Medical Research Curated by ChEMBL					Assay Description Agonist activity against human alpha3beta4 nAChR				Bioorg Med Chem Lett 19: 127-31 (2008) Article DOI: 10.1016/j.bmcl.2008.11.016 BindingDB Entry DOI: 10.7270/Q2T154WM
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (Human))	BDBM50201047 ((1S,6R)-3-(5-methyl-pyridin-3-yl)-3,8-diaza-bicycl...) Show SMILES Cc1cncc(c1)N1CC[C@@H]2CN[C@@H]2C1 |r| Show InChI InChI=1S/C12H17N3/c1-9-4-11(7-13-5-9)15-3-2-10-6-14-12(10)8-15/h4-5,7,10,12,14H,2-3,6,8H2,1H3/t10-,12-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	646	n/a	n/a	n/a	n/a
Burnham Institute for Medical Research Curated by ChEMBL					Assay Description Agonist activity against human alpha4beta2 nAChR				Bioorg Med Chem Lett 19: 127-31 (2008) Article DOI: 10.1016/j.bmcl.2008.11.016 BindingDB Entry DOI: 10.7270/Q2T154WM
					More data for this Ligand-Target Pair