BDBM50397940 CHEMBL2179536

SMILES: O=C(N1CC2CNCC2C1)c1cc(co1)C#N

InChI Key: InChIKey=FEXICIZLMMJVEY-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 = 50397940   

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))	BDBM50397940 (CHEMBL2179536) Show SMILES O=C(N1CC2CNCC2C1)c1cc(co1)C#N Show InChI InChI=1S/C12H13N3O2/c13-2-8-1-11(17-7-8)12(16)15-5-9-3-14-4-10(9)6-15/h1,7,9-10,14H,3-6H2	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	27	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 SH-EP1 cells after 2 hrs by liquid scintillation assay				J Med Chem 55: 9181-94 (2012) Article DOI: 10.1021/jm3006542 BindingDB Entry DOI: 10.7270/Q2W0972W
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit (Homo sapiens (Human))	BDBM50397940 (CHEMBL2179536) Show SMILES O=C(N1CC2CNCC2C1)c1cc(co1)C#N Show InChI InChI=1S/C12H13N3O2/c13-2-8-1-11(17-7-8)12(16)15-5-9-3-14-4-10(9)6-15/h1,7,9-10,14H,3-6H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.60E+3	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 cells after 2 hrs by liquid scintillation counting				J Med Chem 55: 9181-94 (2012) Article DOI: 10.1021/jm3006542 BindingDB Entry DOI: 10.7270/Q2W0972W
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2 (Homo sapiens (Human))	BDBM50397940 (CHEMBL2179536) Show SMILES O=C(N1CC2CNCC2C1)c1cc(co1)C#N Show InChI InChI=1S/C12H13N3O2/c13-2-8-1-11(17-7-8)12(16)15-5-9-3-14-4-10(9)6-15/h1,7,9-10,14H,3-6H2	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	1.10E+4	n/a	n/a	n/a	n/a
Targacept, Inc. Curated by ChEMBL					Assay Description Agonist activity at alpha4beta2 nAChR in human SH-EP1 cells assessed as calcium flux by calcium4-based FLIPR assay				J Med Chem 55: 9181-94 (2012) Article DOI: 10.1021/jm3006542 BindingDB Entry DOI: 10.7270/Q2W0972W
					More data for this Ligand-Target Pair