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BDBM50269919 3-[1'-{2'-(2''-Methyl-5''-aminophenyl)}-ethynyl]-3-quinuclidinol::CHEMBL478347

SMILES: Cc1ccc(N)cc1C#CC1(O)CN2CCC1CC2

InChI Key: InChIKey=JOCVODMEOYQUNA-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50269919   
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)		BDBM50269919
PNG
(3-[1'-{2'-(2''-Methyl-5''-aminophenyl)}-ethynyl]-3...)
Show SMILES Cc1ccc(N)cc1C#CC1(O)CN2CCC1CC2 |(27.33,-24.36,;27.33,-22.82,;28.66,-22.04,;28.64,-20.5,;27.3,-19.74,;27.28,-18.2,;25.98,-20.53,;25.99,-22.06,;24.66,-22.83,;23.34,-23.62,;22.01,-24.39,;22,-22.85,;22.01,-25.94,;20.67,-26.71,;19.33,-25.94,;19.33,-24.39,;20.67,-23.61,;19.93,-24.97,;21.42,-25.37,)|
Show InChI InChI=1S/C16H20N2O/c1-12-2-3-15(17)10-13(12)4-7-16(19)11-18-8-5-14(16)6-9-18/h2-3,10,14,19H,5-6,8-9,11,17H2,1H3
KEGG

UniProtKB/TrEMBL

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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