BDBM50417102 CHEMBL1255908

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

InChI Key: InChIKey=SLJMPDGIEKZJAU-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 = 50417102   

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))	BDBM50417102 (CHEMBL1255908) Show SMILES Brc1ccc(NC(=O)O[C@H]2CN3CCC2CC3)cc1 |r,wU:9.8,THB:8:9:12.13:16.15,(-.86,-29.32,;-2.18,-28.53,;-3.53,-29.28,;-4.85,-28.5,;-4.83,-26.95,;-6.15,-26.17,;-7.5,-26.92,;-7.52,-28.46,;-8.82,-26.13,;-10.17,-26.88,;-10.36,-28.26,;-11.91,-27.61,;-13.28,-28.24,;-13,-26.85,;-11.64,-26.24,;-11.71,-24.6,;-12.15,-25.71,;-3.49,-26.2,;-2.17,-26.98,)| Show InChI InChI=1S/C14H17BrN2O2/c15-11-1-3-12(4-2-11)16-14(18)19-13-9-17-7-5-10(13)6-8-17/h1-4,10,13H,5-9H2,(H,16,18)/t13-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	38.9	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)	BDBM50417102 (CHEMBL1255908) Show SMILES Brc1ccc(NC(=O)O[C@H]2CN3CCC2CC3)cc1 |r,wU:9.8,THB:8:9:12.13:16.15,(-.86,-29.32,;-2.18,-28.53,;-3.53,-29.28,;-4.85,-28.5,;-4.83,-26.95,;-6.15,-26.17,;-7.5,-26.92,;-7.52,-28.46,;-8.82,-26.13,;-10.17,-26.88,;-10.36,-28.26,;-11.91,-27.61,;-13.28,-28.24,;-13,-26.85,;-11.64,-26.24,;-11.71,-24.6,;-12.15,-25.71,;-3.49,-26.2,;-2.17,-26.98,)| Show InChI InChI=1S/C14H17BrN2O2/c15-11-1-3-12(4-2-11)16-14(18)19-13-9-17-7-5-10(13)6-8-17/h1-4,10,13H,5-9H2,(H,16,18)/t13-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.02E+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)	BDBM50417102 (CHEMBL1255908) Show SMILES Brc1ccc(NC(=O)O[C@H]2CN3CCC2CC3)cc1 |r,wU:9.8,THB:8:9:12.13:16.15,(-.86,-29.32,;-2.18,-28.53,;-3.53,-29.28,;-4.85,-28.5,;-4.83,-26.95,;-6.15,-26.17,;-7.5,-26.92,;-7.52,-28.46,;-8.82,-26.13,;-10.17,-26.88,;-10.36,-28.26,;-11.91,-27.61,;-13.28,-28.24,;-13,-26.85,;-11.64,-26.24,;-11.71,-24.6,;-12.15,-25.71,;-3.49,-26.2,;-2.17,-26.98,)| Show InChI InChI=1S/C14H17BrN2O2/c15-11-1-3-12(4-2-11)16-14(18)19-13-9-17-7-5-10(13)6-8-17/h1-4,10,13H,5-9H2,(H,16,18)/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	4.47E+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