BDBM221039 US9284322, Table 6, Compound 5

SMILES: COc1ccc(cn1)-c1cc(cnc1F)C1CC2CCC1N2

InChI Key: InChIKey=UXWSDUYQMDZWBJ-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 = 221039   

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
nAChR alpha4 beta2 subtype (Rattus norvegicus (Rat))	BDBM221039 (US9284322, Table 6, Compound 5) Show SMILES COc1ccc(cn1)-c1cc(cnc1F)C1CC2CCC1N2 |THB:10:15:18.19:21| Show InChI InChI=1S/C17H18FN3O/c1-22-16-5-2-10(8-19-16)14-6-11(9-20-17(14)18)13-7-12-3-4-15(13)21-12/h2,5-6,8-9,12-13,15,21H,3-4,7H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.130	-13.5	n/a	n/a	n/a	n/a	n/a	7.4	25
Research Triangle Institute US Patent					Assay Description Adult male rat cerebral cortices (Pelfreeze Biological, Rogers, Ark.) were homogenized in 39 volumes of ice-cold 50 mM Tris buffer (pH 7.4 at 4° C.) ...				US Patent US9284322 (2016) BindingDB Entry DOI: 10.7270/Q2QV3KCV
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor (Rattus norvegicus (Rat))	BDBM221039 (US9284322, Table 6, Compound 5) Show SMILES COc1ccc(cn1)-c1cc(cnc1F)C1CC2CCC1N2 |THB:10:15:18.19:21| Show InChI InChI=1S/C17H18FN3O/c1-22-16-5-2-10(8-19-16)14-6-11(9-20-17(14)18)13-7-12-3-4-15(13)21-12/h2,5-6,8-9,12-13,15,21H,3-4,7H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	524	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Research Triangle Institute US Patent					Assay Description Adult male rat cerebral cortices (Pel-Freez Biologicals, Rogers, Ark.) were homogenized (polytron) in 39 volumes of ice-cold 50 mM Tris buffer (assay...				US Patent US9284322 (2016) BindingDB Entry DOI: 10.7270/Q2QV3KCV
					More data for this Ligand-Target Pair