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BDBM50269923 3-[1'-{2'-(4''-Amino-3''-pyridinyl)}-ethynyl]-3-quinuclidinol::CHEMBL478350

SMILES: Nc1ccc(cn1)C#CC1(O)CN2CCC1CC2

InChI Key: InChIKey=YTMMOSNRPIJSCB-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50269923   
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)		BDBM50269923
PNG
(3-[1'-{2'-(4''-Amino-3''-pyridinyl)}-ethynyl]-3-qu...)
Show SMILES Nc1ccc(cn1)C#CC1(O)CN2CCC1CC2 |(32.36,-8.59,;31.04,-9.37,;31.05,-10.91,;29.72,-11.69,;28.39,-10.92,;28.37,-9.39,;29.69,-8.61,;27.06,-11.7,;25.74,-12.48,;24.41,-13.26,;24.39,-11.72,;24.41,-14.8,;23.07,-15.57,;21.73,-14.8,;21.73,-13.26,;23.07,-12.48,;22.33,-13.84,;23.82,-14.24,)|
Show InChI InChI=1S/C14H17N3O/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,(H2,15,16)
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