BDBM50164938 1-(4-Dimethylamino-phenyl)-3-((2R,3R)-2-pyridin-3-ylmethyl-1-aza-bicyclo[2.2.2]oct-3-yl)-urea::CHEMBL193579

SMILES: CN(C)c1ccc(NC(=O)N[C@@H]2C3CCN(CC3)[C@@H]2Cc2cccnc2)cc1

InChI Key: InChIKey=PLBRJYVRNDEBQU-NHCUHLMSSA-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 = 50164938   

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))	BDBM50164938 (1-(4-Dimethylamino-phenyl)-3-((2R,3R)-2-pyridin-3-...) Show SMILES CN(C)c1ccc(NC(=O)N[C@@H]2C3CCN(CC3)[C@@H]2Cc2cccnc2)cc1 |wU:11.10,18.20,(16.11,-.24,;16.12,1.3,;17.45,2.07,;14.78,2.07,;14.78,3.61,;13.45,4.38,;12.12,3.62,;10.79,4.39,;9.46,3.62,;9.46,2.08,;8.13,4.4,;6.79,3.63,;5.46,4.4,;4.67,3.07,;6,2.3,;5.46,1.32,;4.14,2.09,;4.14,3.63,;6.79,2.09,;8.13,1.32,;8.12,-.22,;6.77,-.99,;6.77,-2.53,;8.12,-3.3,;9.46,-2.53,;9.45,-.99,;12.12,2.07,;13.45,1.3,)| Show InChI InChI=1S/C22H29N5O/c1-26(2)19-7-5-18(6-8-19)24-22(28)25-21-17-9-12-27(13-10-17)20(21)14-16-4-3-11-23-15-16/h3-8,11,15,17,20-21H,9-10,12-14H2,1-2H3,(H2,24,25,28)/t20-,21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	38	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))	BDBM50164938 (1-(4-Dimethylamino-phenyl)-3-((2R,3R)-2-pyridin-3-...) Show SMILES CN(C)c1ccc(NC(=O)N[C@@H]2C3CCN(CC3)[C@@H]2Cc2cccnc2)cc1 |wU:11.10,18.20,(16.11,-.24,;16.12,1.3,;17.45,2.07,;14.78,2.07,;14.78,3.61,;13.45,4.38,;12.12,3.62,;10.79,4.39,;9.46,3.62,;9.46,2.08,;8.13,4.4,;6.79,3.63,;5.46,4.4,;4.67,3.07,;6,2.3,;5.46,1.32,;4.14,2.09,;4.14,3.63,;6.79,2.09,;8.13,1.32,;8.12,-.22,;6.77,-.99,;6.77,-2.53,;8.12,-3.3,;9.46,-2.53,;9.45,-.99,;12.12,2.07,;13.45,1.3,)| Show InChI InChI=1S/C22H29N5O/c1-26(2)19-7-5-18(6-8-19)24-22(28)25-21-17-9-12-27(13-10-17)20(21)14-16-4-3-11-23-15-16/h3-8,11,15,17,20-21H,9-10,12-14H2,1-2H3,(H2,24,25,28)/t20-,21-/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