BDBM50437503 CHEMBL2409627

SMILES: COCC[C@H]1C[C@@H]1c1cncc(OC[C@@H]2CCCN2C)c1

InChI Key: InChIKey=QWEBUPURHNWVEK-QRTARXTBSA-N

Data: 1 IC50  1 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 2 hits for monomerid = 50437503   

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))	BDBM50437503 (CHEMBL2409627) Show SMILES COCC[C@H]1C[C@@H]1c1cncc(OC[C@@H]2CCCN2C)c1 |r| Show InChI InChI=1S/C17H26N2O2/c1-19-6-3-4-15(19)12-21-16-8-14(10-18-11-16)17-9-13(17)5-7-20-2/h8,10-11,13,15,17H,3-7,9,12H2,1-2H3/t13-,15-,17-/m0/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	14	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Agonist activity at human alpha4beta2 nACHR expressed in human SHEP1 cells assessed as stimulation of 86Rb+ ion efflux after 5 mins by liquid scintil...				J Med Chem 56: 5495-504 (2014) Article DOI: 10.1021/jm400510u BindingDB Entry DOI: 10.7270/Q23J3FCH
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2 (Homo sapiens (Human))	BDBM50437503 (CHEMBL2409627) Show SMILES COCC[C@H]1C[C@@H]1c1cncc(OC[C@@H]2CCCN2C)c1 |r| Show InChI InChI=1S/C17H26N2O2/c1-19-6-3-4-15(19)12-21-16-8-14(10-18-11-16)17-9-13(17)5-7-20-2/h8,10-11,13,15,17H,3-7,9,12H2,1-2H3/t13-,15-,17-/m0/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	20	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Antagonist activity at human alpha4beta2 nACHR expressed in human SHEP1 cells assessed as inhibition of carbamylcholine-induced 86Rb+ ion efflux prei...				J Med Chem 56: 5495-504 (2014) Article DOI: 10.1021/jm400510u BindingDB Entry DOI: 10.7270/Q23J3FCH
					More data for this Ligand-Target Pair