BDBM50520705 CHEMBL4458658

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

InChI Key: InChIKey=RQBDAGWRIWBGRM-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 = 50520705   

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)	BDBM50520705 (CHEMBL4458658) Show SMILES OCCCCC#Cc1cncc(OCC2(Cc3cccc(Cl)c3)CCCNC2)c1 Show InChI InChI=1S/C24H29ClN2O2/c25-22-9-5-8-20(13-22)15-24(10-6-11-26-18-24)19-29-23-14-21(16-27-17-23)7-3-1-2-4-12-28/h5,8-9,13-14,16-17,26,28H,1-2,4,6,10-12,15,18-19H2	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.5	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