BDBM50520722 CHEMBL4554047

SMILES: Clc1ccc(C[C@@]2(COc3cccnc3)CCCNC2)cc1Cl

InChI Key: InChIKey=GDWGKXWHTRSAQZ-SFHVURJKSA-N

Data: 1 KI  1 EC50

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 = 50520722   

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
Acetylcholine-binding protein (Lymnaea stagnalis)	BDBM50520722 (CHEMBL4554047) Show SMILES Clc1ccc(C[C@@]2(COc3cccnc3)CCCNC2)cc1Cl |r| Show InChI InChI=1S/C18H20Cl2N2O/c19-16-5-4-14(9-17(16)20)10-18(6-2-8-22-12-18)13-23-15-3-1-7-21-11-15/h1,3-5,7,9,11,22H,2,6,8,10,12-13H2/t18-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.860	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from Lymnaea stagnalis acetylcholine-binding protein incubated for 60 mins followed by 3 hrs incubation in dark condi...				Eur J Med Chem 160: 37-48 (2018) Article DOI: 10.1016/j.ejmech.2018.09.073
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50520722 (CHEMBL4554047) Show SMILES Clc1ccc(C[C@@]2(COc3cccnc3)CCCNC2)cc1Cl |r| Show InChI InChI=1S/C18H20Cl2N2O/c19-16-5-4-14(9-17(16)20)10-18(6-2-8-22-12-18)13-23-15-3-1-7-21-11-15/h1,3-5,7,9,11,22H,2,6,8,10,12-13H2/t18-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.04E+4	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Partial agonist activity at human alpha7 nAChR at -60 mV holding potential incubated for 1 sec followed by 60 secs compound washout				Eur J Med Chem 160: 37-48 (2018) Article DOI: 10.1016/j.ejmech.2018.09.073
					More data for this Ligand-Target Pair