BDBM50437498 CHEMBL2409473

SMILES: O=C([C@@H]1C[C@H]2CNC[C@H](C2)C1)c1ccco1

InChI Key: InChIKey=XMOYAAVIEIXMBH-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50437498   

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))	BDBM50437498 (CHEMBL2409473) Show SMILES O=C([C@@H]1C[C@H]2CNC[C@H](C2)C1)c1ccco1 |r| Show InChI InChI=1S/C13H17NO2/c15-13(12-2-1-3-16-12)11-5-9-4-10(6-11)8-14-7-9/h1-3,9-11,14H,4-8H2	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	110	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))	BDBM50437498 (CHEMBL2409473) Show SMILES O=C([C@@H]1C[C@H]2CNC[C@H](C2)C1)c1ccco1 |r| Show InChI InChI=1S/C13H17NO2/c15-13(12-2-1-3-16-12)11-5-9-4-10(6-11)8-14-7-9/h1-3,9-11,14H,4-8H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.50E+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