BDBM50417096 CHEMBL1256000

SMILES: Brc1ccc(NC(=O)N[C@H]2CN3CCC2CC3)cc1

InChI Key: InChIKey=ACGFWKUYDZFEMP-ZDUSSCGKSA-N

Data: 2 KI  1 Kd

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 = 50417096   

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))	BDBM50417096 (CHEMBL1256000) Show SMILES Brc1ccc(NC(=O)N[C@H]2CN3CCC2CC3)cc1 |r,wU:9.8,THB:8:9:12.13:16.15,(27.89,-28.62,;26.56,-27.83,;25.22,-28.59,;23.89,-27.8,;23.92,-26.26,;22.59,-25.47,;21.25,-26.22,;21.23,-27.76,;19.92,-25.43,;18.58,-26.19,;18.38,-27.57,;16.85,-26.91,;15.48,-27.55,;15.76,-26.15,;17.11,-25.55,;17.04,-23.9,;16.59,-25.01,;25.25,-25.5,;26.58,-26.28,)| Show InChI InChI=1S/C14H18BrN3O/c15-11-1-3-12(4-2-11)16-14(19)17-13-9-18-7-5-10(13)6-8-18/h1-4,10,13H,5-9H2,(H2,16,17,19)/t13-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	43.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]-MLA from human alpha7 nAChR expressed in human SH-SY5Y cells				J Med Chem 53: 7192-201 (2010) Article DOI: 10.1021/jm100834y BindingDB Entry DOI: 10.7270/Q21J9C1V
					More data for this Ligand-Target Pair
Acetylcholine Binding protein (Lymnaea stagnalis)	BDBM50417096 (CHEMBL1256000) Show SMILES Brc1ccc(NC(=O)N[C@H]2CN3CCC2CC3)cc1 |r,wU:9.8,THB:8:9:12.13:16.15,(27.89,-28.62,;26.56,-27.83,;25.22,-28.59,;23.89,-27.8,;23.92,-26.26,;22.59,-25.47,;21.25,-26.22,;21.23,-27.76,;19.92,-25.43,;18.58,-26.19,;18.38,-27.57,;16.85,-26.91,;15.48,-27.55,;15.76,-26.15,;17.11,-25.55,;17.04,-23.9,;16.59,-25.01,;25.25,-25.5,;26.58,-26.28,)| Show InChI InChI=1S/C14H18BrN3O/c15-11-1-3-12(4-2-11)16-14(19)17-13-9-18-7-5-10(13)6-8-18/h1-4,10,13H,5-9H2,(H2,16,17,19)/t13-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.13E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from Lymnaea stagnalis His6-AChBP expressed in Bac-to-Bac baculovirus expression system				J Med Chem 53: 7192-201 (2010) Article DOI: 10.1021/jm100834y BindingDB Entry DOI: 10.7270/Q21J9C1V
					More data for this Ligand-Target Pair
Acetylcholine Binding protein (Lymnaea stagnalis)	BDBM50417096 (CHEMBL1256000) Show SMILES Brc1ccc(NC(=O)N[C@H]2CN3CCC2CC3)cc1 |r,wU:9.8,THB:8:9:12.13:16.15,(27.89,-28.62,;26.56,-27.83,;25.22,-28.59,;23.89,-27.8,;23.92,-26.26,;22.59,-25.47,;21.25,-26.22,;21.23,-27.76,;19.92,-25.43,;18.58,-26.19,;18.38,-27.57,;16.85,-26.91,;15.48,-27.55,;15.76,-26.15,;17.11,-25.55,;17.04,-23.9,;16.59,-25.01,;25.25,-25.5,;26.58,-26.28,)| Show InChI InChI=1S/C14H18BrN3O/c15-11-1-3-12(4-2-11)16-14(19)17-13-9-18-7-5-10(13)6-8-18/h1-4,10,13H,5-9H2,(H2,16,17,19)/t13-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	4.90E+3	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Binding affinity to Lymnaea stagnalis His6-AChBP expressed in Bac-to-Bac baculovirus expression system by surface plasmon resonance biosensor assay				J Med Chem 53: 7192-201 (2010) Article DOI: 10.1021/jm100834y BindingDB Entry DOI: 10.7270/Q21J9C1V
					More data for this Ligand-Target Pair