BDBM50411215 CHEMBL443370

SMILES: COc1cncc(c1)N1C[C@H]2CCNC[C@@H]12

InChI Key: InChIKey=IQCDZVRYLPBQRD-BXKDBHETSA-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 = 50411215   

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
Cholinergic, Nicotinic Alpha3Beta2 (Homo sapiens (Human))	BDBM50411215 (CHEMBL443370) Show SMILES COc1cncc(c1)N1C[C@H]2CCNC[C@@H]12 |r| Show InChI InChI=1S/C12H17N3O/c1-16-11-4-10(5-14-6-11)15-8-9-2-3-13-7-12(9)15/h4-6,9,12-13H,2-3,7-8H2,1H3/t9-,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	4.37E+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))	BDBM50411215 (CHEMBL443370) Show SMILES COc1cncc(c1)N1C[C@H]2CCNC[C@@H]12 |r| Show InChI InChI=1S/C12H17N3O/c1-16-11-4-10(5-14-6-11)15-8-9-2-3-13-7-12(9)15/h4-6,9,12-13H,2-3,7-8H2,1H3/t9-,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	1.10E+3	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
Neuronal acetylcholine receptor Alpha-4/Beta-2 (Homo sapiens (Human))	BDBM50411215 (CHEMBL443370) Show SMILES COc1cncc(c1)N1C[C@H]2CCNC[C@@H]12 |r| Show InChI InChI=1S/C12H17N3O/c1-16-11-4-10(5-14-6-11)15-8-9-2-3-13-7-12(9)15/h4-6,9,12-13H,2-3,7-8H2,1H3/t9-,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	1.11E+3	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