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BDBM50270325 3-[1'-{2'-(4''-Hydroxyphenyl)}-ethynyl]-3-quinuclidinol::CHEMBL442578

SMILES: Oc1ccc(cc1)C#CC1(O)CN2CCC1CC2

InChI Key: InChIKey=KIQSHQOQPFUQOO-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50270325   
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)		BDBM50270325
PNG
(3-[1'-{2'-(4''-Hydroxyphenyl)}-ethynyl]-3-quinucli...)
Show SMILES Oc1ccc(cc1)C#CC1(O)CN2CCC1CC2 |(32.25,-32.02,;30.92,-32.8,;30.93,-34.34,;29.6,-35.12,;28.27,-34.35,;28.25,-32.82,;29.57,-32.04,;26.94,-35.13,;25.62,-35.91,;24.29,-36.69,;24.27,-35.15,;24.29,-38.24,;22.95,-39.01,;21.61,-38.24,;21.61,-36.69,;22.95,-35.91,;22.21,-37.27,;23.7,-37.67,)|
Show InChI InChI=1S/C15H17NO2/c17-14-3-1-12(2-4-14)5-8-15(18)11-16-9-6-13(15)7-10-16/h1-4,13,17-18H,6-7,9-11H2
KEGG

UniProtKB/TrEMBL

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CHEMBL
PC cid
PC sid
UniChem

Similars
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