BDBM50164959 (4-Bromo-phenyl)-carbamic acid 1-aza-bicyclo[2.2.2]oct-3-yl ester::CHEMBL372419::US8541447, 4

SMILES: Brc1ccc(NC(=O)OC2CN3CCC2CC3)cc1

InChI Key: InChIKey=SLJMPDGIEKZJAU-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50164959   

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))	BDBM50164959 ((4-Bromo-phenyl)-carbamic acid 1-aza-bicyclo[2.2.2...) Show SMILES Brc1ccc(NC(=O)OC2CN3CCC2CC3)cc1 |(13.94,-1.03,;12.6,-.26,;11.25,-1.03,;9.92,-.26,;9.94,1.28,;8.61,2.07,;7.26,1.3,;7.26,-.24,;5.93,2.07,;4.6,1.3,;4.6,-.24,;3.27,-1,;1.94,-.24,;1.94,1.3,;3.27,2.08,;2.5,.75,;3.83,-.02,;11.27,2.05,;12.6,1.28,)| Show InChI InChI=1S/C14H17BrN2O2/c15-11-1-3-12(4-2-11)16-14(18)19-13-9-17-7-5-10(13)6-8-17/h1-4,10,13H,5-9H2,(H,16,18)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Targacept, Inc. US Patent					Assay Description Binding assay using alpha 7 nAChR.				US Patent US8541447 (2013) BindingDB Entry DOI: 10.7270/Q2B56HCV
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor (Rattus norvegicus (Rat))	BDBM50164959 ((4-Bromo-phenyl)-carbamic acid 1-aza-bicyclo[2.2.2...) Show SMILES Brc1ccc(NC(=O)OC2CN3CCC2CC3)cc1 |(13.94,-1.03,;12.6,-.26,;11.25,-1.03,;9.92,-.26,;9.94,1.28,;8.61,2.07,;7.26,1.3,;7.26,-.24,;5.93,2.07,;4.6,1.3,;4.6,-.24,;3.27,-1,;1.94,-.24,;1.94,1.3,;3.27,2.08,;2.5,.75,;3.83,-.02,;11.27,2.05,;12.6,1.28,)| Show InChI InChI=1S/C14H17BrN2O2/c15-11-1-3-12(4-2-11)16-14(18)19-13-9-17-7-5-10(13)6-8-17/h1-4,10,13H,5-9H2,(H,16,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Targacept, Inc. Curated by ChEMBL					Assay Description Inhibitory constant against [3H]methyllycaconitine binding towards Nicotinic acetylcholine receptor alpha-7 of rat brain hippocampus				Bioorg Med Chem Lett 15: 2073-7 (2005) Article DOI: 10.1016/j.bmcl.2005.02.045 BindingDB Entry DOI: 10.7270/Q2GT5NX3
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor (Rattus norvegicus (Rat))	BDBM50164959 ((4-Bromo-phenyl)-carbamic acid 1-aza-bicyclo[2.2.2...) Show SMILES Brc1ccc(NC(=O)OC2CN3CCC2CC3)cc1 |(13.94,-1.03,;12.6,-.26,;11.25,-1.03,;9.92,-.26,;9.94,1.28,;8.61,2.07,;7.26,1.3,;7.26,-.24,;5.93,2.07,;4.6,1.3,;4.6,-.24,;3.27,-1,;1.94,-.24,;1.94,1.3,;3.27,2.08,;2.5,.75,;3.83,-.02,;11.27,2.05,;12.6,1.28,)| Show InChI InChI=1S/C14H17BrN2O2/c15-11-1-3-12(4-2-11)16-14(18)19-13-9-17-7-5-10(13)6-8-17/h1-4,10,13H,5-9H2,(H,16,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Targacept, Inc Curated by ChEMBL					Assay Description Binding affinity to alpha7 nAChR in rat hippocampal membranes				J Med Chem 54: 7943-61 (2011) Article DOI: 10.1021/jm2007672 BindingDB Entry DOI: 10.7270/Q29P32QP
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit (Homo sapiens (Human))	BDBM50164959 ((4-Bromo-phenyl)-carbamic acid 1-aza-bicyclo[2.2.2...) Show SMILES Brc1ccc(NC(=O)OC2CN3CCC2CC3)cc1 |(13.94,-1.03,;12.6,-.26,;11.25,-1.03,;9.92,-.26,;9.94,1.28,;8.61,2.07,;7.26,1.3,;7.26,-.24,;5.93,2.07,;4.6,1.3,;4.6,-.24,;3.27,-1,;1.94,-.24,;1.94,1.3,;3.27,2.08,;2.5,.75,;3.83,-.02,;11.27,2.05,;12.6,1.28,)| Show InChI InChI=1S/C14H17BrN2O2/c15-11-1-3-12(4-2-11)16-14(18)19-13-9-17-7-5-10(13)6-8-17/h1-4,10,13H,5-9H2,(H,16,18)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	167	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Targacept, Inc Curated by ChEMBL					Assay Description Binding affinity to alpha7 nAChR				J Med Chem 54: 7943-61 (2011) Article DOI: 10.1021/jm2007672 BindingDB Entry DOI: 10.7270/Q29P32QP
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2 (Homo sapiens (Human))	BDBM50164959 ((4-Bromo-phenyl)-carbamic acid 1-aza-bicyclo[2.2.2...) Show SMILES Brc1ccc(NC(=O)OC2CN3CCC2CC3)cc1 |(13.94,-1.03,;12.6,-.26,;11.25,-1.03,;9.92,-.26,;9.94,1.28,;8.61,2.07,;7.26,1.3,;7.26,-.24,;5.93,2.07,;4.6,1.3,;4.6,-.24,;3.27,-1,;1.94,-.24,;1.94,1.3,;3.27,2.08,;2.5,.75,;3.83,-.02,;11.27,2.05,;12.6,1.28,)| Show InChI InChI=1S/C14H17BrN2O2/c15-11-1-3-12(4-2-11)16-14(18)19-13-9-17-7-5-10(13)6-8-17/h1-4,10,13H,5-9H2,(H,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Targacept, Inc. Curated by ChEMBL					Assay Description Binding affinity towards Nicotinic acetylcholine receptor alpha4-beta2; Not significant				Bioorg Med Chem Lett 15: 2073-7 (2005) Article DOI: 10.1016/j.bmcl.2005.02.045 BindingDB Entry DOI: 10.7270/Q2GT5NX3
					More data for this Ligand-Target Pair