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BDBM50269924 3-[1'-{2'-(4''-Chloro-3''-pyridinyl)}-ethynyl]-3-quinuclidinol::CHEMBL478530

SMILES: OC1(CN2CCC1CC2)C#Cc1ccc(Cl)nc1

InChI Key: InChIKey=HHFAKCCLPZMGAB-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50269924   
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)		BDBM50269924
PNG
(3-[1'-{2'-(4''-Chloro-3''-pyridinyl)}-ethynyl]-3-q...)
Show SMILES OC1(CN2CCC1CC2)C#Cc1ccc(Cl)nc1 |(-8.28,-22.88,;-8.26,-24.42,;-8.26,-25.97,;-9.61,-26.74,;-10.94,-25.97,;-10.94,-24.42,;-9.61,-23.64,;-10.34,-25,;-8.85,-25.4,;-6.94,-23.65,;-5.61,-22.86,;-4.28,-22.08,;-2.95,-22.85,;-1.62,-22.07,;-1.63,-20.53,;-.31,-19.75,;-2.98,-19.77,;-4.3,-20.55,)|
Show InChI InChI=1S/C14H15ClN2O/c15-13-2-1-11(9-16-13)3-6-14(18)10-17-7-4-12(14)5-8-17/h1-2,9,12,18H,4-5,7-8,10H2
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