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SMILES: Fc1ncc(cc1-c1ccncc1)C1CC2CCC1N2

InChI Key: InChIKey=CEWXULHLBUPCIU-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 221040   

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
Isoform Alpha-4-2 of Neuronal acetylcholine receptor subunit alpha-4 (Alpha-4-2)/Neuronal acetylcholine receptor subunit beta-2 (Rattus norvegicus (Rat))	BDBM221040 (US9284322, Table 6, Compound 6) Show SMILES Fc1ncc(cc1-c1ccncc1)C1CC2CCC1N2 |THB:4:13:16.17:19| Show InChI InChI=1S/C16H16FN3/c17-16-14(10-3-5-18-6-4-10)7-11(9-19-16)13-8-12-1-2-15(13)20-12/h3-7,9,12-13,15,20H,1-2,8H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.120	-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 subunit alpha-7 (Rattus norvegicus (Rat))	BDBM221040 (US9284322, Table 6, Compound 6) Show SMILES Fc1ncc(cc1-c1ccncc1)C1CC2CCC1N2 |THB:4:13:16.17:19| Show InChI InChI=1S/C16H16FN3/c17-16-14(10-3-5-18-6-4-10)7-11(9-19-16)13-8-12-1-2-15(13)20-12/h3-7,9,12-13,15,20H,1-2,8H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	9.70E+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