BDBM50296743 4-bromo-3-chlorophenyl 1,4-diazabicyclo[3.2.2]nonane-4-carboxylate::CHEMBL561469

SMILES: Clc1cc(OC(=O)N2CCN3CCC2CC3)ccc1Br

InChI Key: InChIKey=ABBQLVQJXBDEIM-UHFFFAOYSA-N

Data: 1 KI  2 IC50

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 = 50296743   

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))	BDBM50296743 (4-bromo-3-chlorophenyl 1,4-diazabicyclo[3.2.2]nona...) Show SMILES Clc1cc(OC(=O)N2CCN3CCC2CC3)ccc1Br |TLB:5:7:12.11:14.15,(1.98,-4.06,;.58,-3.56,;-.6,-4.55,;-2.05,-4.02,;-3.23,-5.01,;-4.68,-4.49,;-4.96,-2.96,;-5.86,-5.48,;-5.5,-6.96,;-6.5,-6.23,;-7.89,-6.31,;-7.97,-4.6,;-7.35,-3.44,;-7.28,-4.86,;-8.58,-5.57,;-8.88,-7.01,;-2.32,-2.5,;-1.15,-1.51,;.31,-2.03,;1.45,-1.08,)| Show InChI InChI=1S/C14H16BrClN2O2/c15-12-2-1-11(9-13(12)16)20-14(19)18-8-7-17-5-3-10(18)4-6-17/h1-2,9-10H,3-8H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research& Development Curated by ChEMBL					Assay Description Displacement of [125I]BTX from rat alpha7 nAChR expressed in rat GH4C1 cells				Bioorg Med Chem Lett 19: 4747-51 (2009) Article DOI: 10.1016/j.bmcl.2009.06.059 BindingDB Entry DOI: 10.7270/Q21G0N69
					More data for this Ligand-Target Pair
Cholinergic, Nicotinic Alpha3Beta2 (Homo sapiens (Human))	BDBM50296743 (4-bromo-3-chlorophenyl 1,4-diazabicyclo[3.2.2]nona...) Show SMILES Clc1cc(OC(=O)N2CCN3CCC2CC3)ccc1Br |TLB:5:7:12.11:14.15,(1.98,-4.06,;.58,-3.56,;-.6,-4.55,;-2.05,-4.02,;-3.23,-5.01,;-4.68,-4.49,;-4.96,-2.96,;-5.86,-5.48,;-5.5,-6.96,;-6.5,-6.23,;-7.89,-6.31,;-7.97,-4.6,;-7.35,-3.44,;-7.28,-4.86,;-8.58,-5.57,;-8.88,-7.01,;-2.32,-2.5,;-1.15,-1.51,;.31,-2.03,;1.45,-1.08,)| Show InChI InChI=1S/C14H16BrClN2O2/c15-12-2-1-11(9-13(12)16)20-14(19)18-8-7-17-5-3-10(18)4-6-17/h1-2,9-10H,3-8H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.09E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research& Development Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from alpha3 nAChR in human IMR32 cells				Bioorg Med Chem Lett 19: 4747-51 (2009) Article DOI: 10.1016/j.bmcl.2009.06.059 BindingDB Entry DOI: 10.7270/Q21G0N69
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor (Rattus norvegicus (Rat))	BDBM50296743 (4-bromo-3-chlorophenyl 1,4-diazabicyclo[3.2.2]nona...) Show SMILES Clc1cc(OC(=O)N2CCN3CCC2CC3)ccc1Br |TLB:5:7:12.11:14.15,(1.98,-4.06,;.58,-3.56,;-.6,-4.55,;-2.05,-4.02,;-3.23,-5.01,;-4.68,-4.49,;-4.96,-2.96,;-5.86,-5.48,;-5.5,-6.96,;-6.5,-6.23,;-7.89,-6.31,;-7.97,-4.6,;-7.35,-3.44,;-7.28,-4.86,;-8.58,-5.57,;-8.88,-7.01,;-2.32,-2.5,;-1.15,-1.51,;.31,-2.03,;1.45,-1.08,)| Show InChI InChI=1S/C14H16BrClN2O2/c15-12-2-1-11(9-13(12)16)20-14(19)18-8-7-17-5-3-10(18)4-6-17/h1-2,9-10H,3-8H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research& Development Curated by ChEMBL					Assay Description Displacement of L-[3H]Nicotine from alpha4beta2 nAChR in rat brain homogenate by rapid filtration method				Bioorg Med Chem Lett 19: 4747-51 (2009) Article DOI: 10.1016/j.bmcl.2009.06.059 BindingDB Entry DOI: 10.7270/Q21G0N69
					More data for this Ligand-Target Pair