BDBM221038 US9284322, Table 6, Compound 4

SMILES: Nc1ccc(cn1)-c1cc(cnc1F)C1CC2CCC1N2

InChI Key: InChIKey=CSHAIEWAKNMFDS-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 = 221038   

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))	BDBM221038 (US9284322, Table 6, Compound 4) Show SMILES Nc1ccc(cn1)-c1cc(cnc1F)C1CC2CCC1N2 |THB:9:14:17.18:20| Show InChI InChI=1S/C16H17FN4/c17-16-13(9-1-4-15(18)19-7-9)5-10(8-20-16)12-6-11-2-3-14(12)21-11/h1,4-5,7-8,11-12,14,21H,2-3,6H2,(H2,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.25	-13.1	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))	BDBM221038 (US9284322, Table 6, Compound 4) Show SMILES Nc1ccc(cn1)-c1cc(cnc1F)C1CC2CCC1N2 |THB:9:14:17.18:20| Show InChI InChI=1S/C16H17FN4/c17-16-13(9-1-4-15(18)19-7-9)5-10(8-20-16)12-6-11-2-3-14(12)21-11/h1,4-5,7-8,11-12,14,21H,2-3,6H2,(H2,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.47E+3	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