BDBM50520713 CHEMBL4444981

SMILES: OCCCCC#Cc1ccc(OCC2(Cc3cccc(Cl)c3)CCCNC2)cn1

InChI Key: InChIKey=IBOQXADXCXBIOQ-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 = 50520713   

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)	BDBM50520713 (CHEMBL4444981) Show SMILES OCCCCC#Cc1ccc(OCC2(Cc3cccc(Cl)c3)CCCNC2)cn1 Show InChI InChI=1S/C24H29ClN2O2/c25-21-8-5-7-20(15-21)16-24(12-6-13-26-18-24)19-29-23-11-10-22(27-17-23)9-3-1-2-4-14-28/h5,7-8,10-11,15,17,26,28H,1-2,4,6,12-14,16,18-19H2	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	16	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