BDBM50520730 CHEMBL4537587

SMILES: Clc1cccc(CC2(COc3cncc(Br)c3)CCCNC2)c1

InChI Key: InChIKey=RXGBULCCROTTCB-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50520730   

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)	BDBM50520730 (CHEMBL4537587) Show SMILES Clc1cccc(CC2(COc3cncc(Br)c3)CCCNC2)c1 Show InChI InChI=1S/C18H20BrClN2O/c19-15-8-17(11-22-10-15)23-13-18(5-2-6-21-12-18)9-14-3-1-4-16(20)7-14/h1,3-4,7-8,10-11,21H,2,5-6,9,12-13H2	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	22	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