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BDBM50269922 3-[1'-{2'-(1H-Indol-4''-yl)}-ethynyl]-3-quinuclidinol::CHEMBL478349

SMILES: OC1(CN2CCC1CC2)C#Cc1ccc2cc[nH]c2c1

InChI Key: InChIKey=ZMZVKSDGNKDYJR-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50269922   
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)		BDBM50269922
PNG
(3-[1'-{2'-(1H-Indol-4''-yl)}-ethynyl]-3-quinuclidi...)
Show SMILES OC1(CN2CCC1CC2)C#Cc1ccc2cc[nH]c2c1 |(8.63,-11.08,;8.65,-12.62,;8.65,-14.17,;7.31,-14.94,;5.97,-14.17,;5.97,-12.62,;7.31,-11.84,;6.57,-13.2,;8.06,-13.6,;9.98,-11.85,;11.3,-11.06,;12.63,-10.28,;12.61,-8.75,;13.93,-7.97,;15.28,-8.73,;16.74,-8.24,;17.65,-9.48,;16.76,-10.73,;15.29,-10.27,;13.96,-11.05,)|
Show InChI InChI=1S/C17H18N2O/c20-17(12-19-9-5-15(17)6-10-19)7-3-13-1-2-14-4-8-18-16(14)11-13/h1-2,4,8,11,15,18,20H,5-6,9-10,12H2
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