BDBM50164912 (4-Bromo-phenyl)-carbamic acid (2R,3R)-2-(4-methoxy-pyridin-3-ylmethyl)-1-aza-bicyclo[2.2.2]oct-3-yl ester::CHEMBL195592

SMILES: COc1ccncc1C[C@@H]1[C@H](OC(=O)Nc2ccc(Br)cc2)C2CCN1CC2

InChI Key: InChIKey=HXHXBZRMEGASAO-UYAOXDASSA-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 = 50164912   

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))	BDBM50164912 ((4-Bromo-phenyl)-carbamic acid (2R,3R)-2-(4-methox...) Show SMILES COc1ccncc1C[C@@H]1[C@H](OC(=O)Nc2ccc(Br)cc2)C2CCN1CC2 |wU:9.9,10.11,(17.76,-4.14,;16.43,-3.38,;15.08,-4.15,;15.1,-5.69,;13.75,-6.46,;12.42,-5.69,;12.42,-4.15,;13.75,-3.39,;13.77,-1.85,;12.42,-1.08,;12.42,.46,;13.77,1.23,;15.1,.46,;15.1,-1.08,;16.44,1.23,;17.77,.44,;19.1,1.21,;20.43,.44,;20.43,-1.1,;21.76,-1.87,;19.09,-1.87,;17.76,-1.1,;11.09,1.24,;10.32,-.09,;11.65,-.86,;11.09,-1.84,;9.78,-1.08,;9.78,.46,)| Show InChI InChI=1S/C21H24BrN3O3/c1-27-19-6-9-23-13-15(19)12-18-20(14-7-10-25(18)11-8-14)28-21(26)24-17-4-2-16(22)3-5-17/h2-6,9,13-14,18,20H,7-8,10-12H2,1H3,(H,24,26)/t18-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	29	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))	BDBM50164912 ((4-Bromo-phenyl)-carbamic acid (2R,3R)-2-(4-methox...) Show SMILES COc1ccncc1C[C@@H]1[C@H](OC(=O)Nc2ccc(Br)cc2)C2CCN1CC2 |wU:9.9,10.11,(17.76,-4.14,;16.43,-3.38,;15.08,-4.15,;15.1,-5.69,;13.75,-6.46,;12.42,-5.69,;12.42,-4.15,;13.75,-3.39,;13.77,-1.85,;12.42,-1.08,;12.42,.46,;13.77,1.23,;15.1,.46,;15.1,-1.08,;16.44,1.23,;17.77,.44,;19.1,1.21,;20.43,.44,;20.43,-1.1,;21.76,-1.87,;19.09,-1.87,;17.76,-1.1,;11.09,1.24,;10.32,-.09,;11.65,-.86,;11.09,-1.84,;9.78,-1.08,;9.78,.46,)| Show InChI InChI=1S/C21H24BrN3O3/c1-27-19-6-9-23-13-15(19)12-18-20(14-7-10-25(18)11-8-14)28-21(26)24-17-4-2-16(22)3-5-17/h2-6,9,13-14,18,20H,7-8,10-12H2,1H3,(H,24,26)/t18-,20-/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