BDBM50098542 CHEMBL3593855

SMILES: CN(C)CCOc1cncc(c1)N1CCC1

InChI Key: InChIKey=WTCYXSGBHCPBQL-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 = 50098542   

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 (Rattus norvegicus (Rat))	BDBM50098542 (CHEMBL3593855) Show SMILES CN(C)CCOc1cncc(c1)N1CCC1 Show InChI InChI=1S/C12H19N3O/c1-14(2)6-7-16-12-8-11(9-13-10-12)15-4-3-5-15/h8-10H,3-7H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Hawai'i at Hilo Curated by ChEMBL					Assay Description Displacement of [3H]-MLA from Sprague-Dawley rat brain alpha7 nicotine acetylcholine receptor after 90 mins by radioligand displacement assay				Bioorg Med Chem 23: 4375-89 (2015) Article DOI: 10.1016/j.bmc.2015.06.034 BindingDB Entry DOI: 10.7270/Q2C24Z6H
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor; alpha3/beta4 (Homo sapiens (Human))	BDBM50098542 (CHEMBL3593855) Show SMILES CN(C)CCOc1cncc(c1)N1CCC1 Show InChI InChI=1S/C12H19N3O/c1-14(2)6-7-16-12-8-11(9-13-10-12)15-4-3-5-15/h8-10H,3-7H2,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Hawai'i at Hilo Curated by ChEMBL					Assay Description Binding affinity to alpha3beta4 nicotine acetylcholine receptor (unknown origin) after 90 mins by radioligand displacement assay				Bioorg Med Chem 23: 4375-89 (2015) Article DOI: 10.1016/j.bmc.2015.06.034 BindingDB Entry DOI: 10.7270/Q2C24Z6H
					More data for this Ligand-Target Pair