BindingDB logo
myBDB logout

BDBM50269918 3-[1'-{2'-(5''-Acetylthiophenyl)}-ethynyl]-3-quinuclidinol::CHEMBL518600

SMILES: CC(=O)c1ccc(s1)C#CC1(O)CN2CCC1CC2

InChI Key: InChIKey=BBDOOZXNHIDNFF-UHFFFAOYSA-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 = 50269918   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Farnesyltransferase, putative


(Leishmania major)		BDBM50269918
PNG
(3-[1'-{2'-(5''-Acetylthiophenyl)}-ethynyl]-3-quinu...)
Show SMILES CC(=O)c1ccc(s1)C#CC1(O)CN2CCC1CC2 |(11.49,-31.62,;12.41,-32.86,;13.94,-32.68,;11.79,-34.27,;12.57,-35.59,;11.55,-36.74,;10.14,-36.14,;10.29,-34.6,;8.81,-36.92,;7.49,-37.7,;6.16,-38.47,;6.14,-36.93,;6.16,-40.02,;4.82,-40.79,;3.48,-40.02,;3.48,-38.47,;4.82,-37.69,;4.08,-39.05,;5.57,-39.46,)|
Show InChI InChI=1S/C15H17NO2S/c1-11(17)14-3-2-13(19-14)4-7-15(18)10-16-8-5-12(15)6-9-16/h2-3,12,18H,5-6,8-10H2,1H3
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/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