BDBM50269942 (2R,5S)-2-Hydroxymethyl-5-[1'-{2'-(4''-ethyl ethanoatephenyl)}-ethynyl]-1-aza-bicyclo-[2.2.2]-octane::CHEMBL477079

SMILES: CCOC(=O)Cc1ccc(cc1)C#C[C@H]1CN2CCC1C[C@@H]2CO

InChI Key: InChIKey=GVLSXTZYHBZMOD-JLMCIHFGSA-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 = 50269942   

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)	BDBM50269942 ((2R,5S)-2-Hydroxymethyl-5-[1'-{2'-(4''-ethyl ethan...) Show SMILES CCOC(=O)Cc1ccc(cc1)C#C[C@H]1CN2CCC1C[C@@H]2CO |r| Show InChI InChI=1S/C20H25NO3/c1-2-24-20(23)11-16-5-3-15(4-6-16)7-8-18-13-21-10-9-17(18)12-19(21)14-22/h3-6,17-19,22H,2,9-14H2,1H3/t17?,18-,19+/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