BDBM50269933 (2S,5S)-2-Hydroxymethyl-5-[1'-{2'-(4''-ethoxycarbonylphenyl)}-ethynyl]-1-aza-bicyclo-[2.2.2]-octane::CHEMBL478723

SMILES: CCOC(=O)c1ccc(cc1)C#C[C@H]1CN2CCC1C[C@H]2CO

InChI Key: InChIKey=GEZQBWZWZWILMT-FQECFTEESA-N

Data: 1 IC50

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 = 50269933   

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
Farnesyltransferase, putative (Leishmania major)	BDBM50269933 ((2S,5S)-2-Hydroxymethyl-5-[1'-{2'-(4''-ethoxycarbo...) Show SMILES CCOC(=O)c1ccc(cc1)C#C[C@H]1CN2CCC1C[C@H]2CO |r| Show InChI InChI=1S/C19H23NO3/c1-2-23-19(22)15-6-3-14(4-7-15)5-8-17-12-20-10-9-16(17)11-18(20)13-21/h3-4,6-7,16-18,21H,2,9-13H2,1H3/t16?,17-,18-/m0/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibition of Leishmania major recombinant squalene synthase expressed in Escherichia coli by liquid scintillation counter				Antimicrob Agents Chemother 51: 4049-61 (2007) Article DOI: 10.1128/AAC.00205-07 BindingDB Entry DOI: 10.7270/Q2MS3SJZ
					More data for this Ligand-Target Pair