BDBM50437486 CHEMBL2409476

SMILES: CCCNC(=O)[C@@H]1C[C@H]2CNC[C@H](C2)C1

InChI Key: InChIKey=FEIJFKLKIQDCEV-UHFFFAOYSA-N

Data: 2 KI  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 3 hits for monomerid = 50437486   

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))	BDBM50437486 (CHEMBL2409476) Show SMILES CCCNC(=O)[C@@H]1C[C@H]2CNC[C@H](C2)C1 |r| Show InChI InChI=1S/C12H22N2O/c1-2-3-14-12(15)11-5-9-4-10(6-11)8-13-7-9/h9-11,13H,2-8H2,1H3,(H,14,15)	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	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Targacept, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]Nicotine from alpha4beta2 nACHR in human SHEP1 cell membranes after 2 hrs by liquid scintillation counting analysis				Bioorg Med Chem Lett 23: 3927-34 (2013) Article DOI: 10.1016/j.bmcl.2013.04.058 BindingDB Entry DOI: 10.7270/Q279462S
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit (Homo sapiens (Human))	BDBM50437486 (CHEMBL2409476) Show SMILES CCCNC(=O)[C@@H]1C[C@H]2CNC[C@H](C2)C1 |r| Show InChI InChI=1S/C12H22N2O/c1-2-3-14-12(15)11-5-9-4-10(6-11)8-13-7-9/h9-11,13H,2-8H2,1H3,(H,14,15)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Targacept, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]Epibatidine from human alpha7 nACHR expressed in CHO cell membranes after 2 hrs by liquid scintillation counting analysis				Bioorg Med Chem Lett 23: 3927-34 (2013) Article DOI: 10.1016/j.bmcl.2013.04.058 BindingDB Entry DOI: 10.7270/Q279462S
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2 (Homo sapiens (Human))	BDBM50437486 (CHEMBL2409476) Show SMILES CCCNC(=O)[C@@H]1C[C@H]2CNC[C@H](C2)C1 |r| Show InChI InChI=1S/C12H22N2O/c1-2-3-14-12(15)11-5-9-4-10(6-11)8-13-7-9/h9-11,13H,2-8H2,1H3,(H,14,15)	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	2.40E+3	n/a	n/a	n/a	n/a
Targacept, Inc. Curated by ChEMBL					Assay Description Agonist activity at alpha4beta2 nACHR in human SHEP1 cell membranes assessed as stimulation of calcium flux by FLIPR assay				Bioorg Med Chem Lett 23: 3927-34 (2013) Article DOI: 10.1016/j.bmcl.2013.04.058 BindingDB Entry DOI: 10.7270/Q279462S
					More data for this Ligand-Target Pair