BDBM50164931 (4-Bromo-phenyl)-carbamic acid (2R,3R)-2-pyrimidin-5-ylmethyl-1-aza-bicyclo[2.2.2]oct-3-yl ester::CHEMBL193419

SMILES: Brc1ccc(NC(=O)O[C@@H]2C3CCN(CC3)[C@@H]2Cc2cncnc2)cc1

InChI Key: InChIKey=UNGUKDJPMYJLON-QZTJIDSGSA-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 = 50164931   

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 (Rattus norvegicus (Rat))	BDBM50164931 ((4-Bromo-phenyl)-carbamic acid (2R,3R)-2-pyrimidin...) Show SMILES Brc1ccc(NC(=O)O[C@@H]2C3CCN(CC3)[C@@H]2Cc2cncnc2)cc1 |wU:9.8,16.18,(16.8,-.4,;15.45,.35,;15.45,1.91,;14.12,2.68,;12.79,1.91,;11.46,2.68,;10.13,1.91,;10.13,.37,;8.8,2.68,;7.47,1.91,;6.14,2.7,;4.81,1.91,;4.81,.37,;6.14,-.38,;6.68,.6,;5.35,1.37,;7.47,.37,;8.8,-.4,;8.8,-1.94,;10.13,-2.69,;10.13,-4.23,;8.8,-5,;7.45,-4.23,;7.45,-2.69,;12.79,.37,;14.12,-.4,)| Show InChI InChI=1S/C19H21BrN4O2/c20-15-1-3-16(4-2-15)23-19(25)26-18-14-5-7-24(8-6-14)17(18)9-13-10-21-12-22-11-13/h1-4,10-12,14,17-18H,5-9H2,(H,23,25)/t17-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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 Alpha-4/Beta-2 (Homo sapiens (Human))	BDBM50164931 ((4-Bromo-phenyl)-carbamic acid (2R,3R)-2-pyrimidin...) Show SMILES Brc1ccc(NC(=O)O[C@@H]2C3CCN(CC3)[C@@H]2Cc2cncnc2)cc1 |wU:9.8,16.18,(16.8,-.4,;15.45,.35,;15.45,1.91,;14.12,2.68,;12.79,1.91,;11.46,2.68,;10.13,1.91,;10.13,.37,;8.8,2.68,;7.47,1.91,;6.14,2.7,;4.81,1.91,;4.81,.37,;6.14,-.38,;6.68,.6,;5.35,1.37,;7.47,.37,;8.8,-.4,;8.8,-1.94,;10.13,-2.69,;10.13,-4.23,;8.8,-5,;7.45,-4.23,;7.45,-2.69,;12.79,.37,;14.12,-.4,)| Show InChI InChI=1S/C19H21BrN4O2/c20-15-1-3-16(4-2-15)23-19(25)26-18-14-5-7-24(8-6-14)17(18)9-13-10-21-12-22-11-13/h1-4,10-12,14,17-18H,5-9H2,(H,23,25)/t17-,18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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