BDBM50433471 CHEMBL2380802

SMILES: Fc1ccc(cc1)-c1nnc(o1)N1CCN2CCC1CC2

InChI Key: InChIKey=LZNSXAAOXCUXIS-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50433471   

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 protein alpha-7 subunit (Homo sapiens (Human))	BDBM50433471 (CHEMBL2380802) Show SMILES Fc1ccc(cc1)-c1nnc(o1)N1CCN2CCC1CC2 |(37.92,-5.9,;36.59,-6.67,;35.24,-5.9,;33.91,-6.67,;33.92,-8.2,;35.25,-8.98,;36.58,-8.22,;32.58,-8.97,;32.1,-10.44,;30.56,-10.44,;30.07,-8.97,;31.33,-8.06,;28.61,-8.49,;28.4,-6.96,;27.07,-6.17,;25.63,-6.72,;25.15,-8.19,;26.01,-9.47,;27.55,-9.6,;26.54,-8.59,;27.07,-7.59,)| Show InChI InChI=1S/C15H17FN4O/c16-12-3-1-11(2-4-12)14-17-18-15(21-14)20-10-9-19-7-5-13(20)6-8-19/h1-4,13H,5-10H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Binding affinity to alpha7 nAChR (unknown origin)				J Med Chem 56: 7574-89 (2013) Article DOI: 10.1021/jm401184f BindingDB Entry DOI: 10.7270/Q2Z3215R
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit (Homo sapiens (Human))	BDBM50433471 (CHEMBL2380802) Show SMILES Fc1ccc(cc1)-c1nnc(o1)N1CCN2CCC1CC2 |(37.92,-5.9,;36.59,-6.67,;35.24,-5.9,;33.91,-6.67,;33.92,-8.2,;35.25,-8.98,;36.58,-8.22,;32.58,-8.97,;32.1,-10.44,;30.56,-10.44,;30.07,-8.97,;31.33,-8.06,;28.61,-8.49,;28.4,-6.96,;27.07,-6.17,;25.63,-6.72,;25.15,-8.19,;26.01,-9.47,;27.55,-9.6,;26.54,-8.59,;27.07,-7.59,)| Show InChI InChI=1S/C15H17FN4O/c16-12-3-1-11(2-4-12)14-17-18-15(21-14)20-10-9-19-7-5-13(20)6-8-19/h1-4,13H,5-10H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Helmholtz-Zentrum Dresden-Rossendorf Curated by ChEMBL					Assay Description Binding affinity to alpha7 nAChR (unknown origin)				Bioorg Med Chem 21: 2635-42 (2013) Article DOI: 10.1016/j.bmc.2013.02.018 BindingDB Entry DOI: 10.7270/Q28K7BFK
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor (Rattus norvegicus (Rat))	BDBM50433471 (CHEMBL2380802) Show SMILES Fc1ccc(cc1)-c1nnc(o1)N1CCN2CCC1CC2 |(37.92,-5.9,;36.59,-6.67,;35.24,-5.9,;33.91,-6.67,;33.92,-8.2,;35.25,-8.98,;36.58,-8.22,;32.58,-8.97,;32.1,-10.44,;30.56,-10.44,;30.07,-8.97,;31.33,-8.06,;28.61,-8.49,;28.4,-6.96,;27.07,-6.17,;25.63,-6.72,;25.15,-8.19,;26.01,-9.47,;27.55,-9.6,;26.54,-8.59,;27.07,-7.59,)| Show InChI InChI=1S/C15H17FN4O/c16-12-3-1-11(2-4-12)14-17-18-15(21-14)20-10-9-19-7-5-13(20)6-8-19/h1-4,13H,5-10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Displacement of [125I]alpha-bungarotoxin from rat cortical membrane alpha7-nAChR after 150 mins by gamma-counting analysis				J Med Chem 56: 7574-89 (2013) Article DOI: 10.1021/jm401184f BindingDB Entry DOI: 10.7270/Q2Z3215R
					More data for this Ligand-Target Pair