BDBM50520712 CHEMBL4556242

SMILES: OCCCC#Cc1cncc(OCC2(Cc3cccc(Cl)c3)CCCNC2)c1

InChI Key: InChIKey=SDTCAZIAOUGNFP-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 = 50520712   

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)	BDBM50520712 (CHEMBL4556242) Show SMILES OCCCC#Cc1cncc(OCC2(Cc3cccc(Cl)c3)CCCNC2)c1 Show InChI InChI=1S/C23H27ClN2O2/c24-21-8-4-7-19(12-21)14-23(9-5-10-25-17-23)18-28-22-13-20(15-26-16-22)6-2-1-3-11-27/h4,7-8,12-13,15-16,25,27H,1,3,5,9-11,14,17-18H2	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	12	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