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BDBM50269935 (2S,5S)-2-Hydroxymethyl-5-[1'-{2'-(4''-benzyloxyphenyl)}-ethynyl]-1-azabicyclo-[2.2.2]-octane::CHEMBL477326

SMILES: OC[C@@H]1CC2CCN1C[C@@H]2C#Cc1ccc(OCc2ccccc2)cc1

InChI Key: InChIKey=NLGYSAUDIBBAJL-QIFDKBNDSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50269935   
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)		BDBM50269935
PNG
((2S,5S)-2-Hydroxymethyl-5-[1'-{2'-(4''-benzyloxyph...)
Show SMILES OC[C@@H]1CC2CCN1C[C@@H]2C#Cc1ccc(OCc2ccccc2)cc1 |r|
Show InChI InChI=1S/C23H25NO2/c25-16-22-14-20-12-13-24(22)15-21(20)9-6-18-7-10-23(11-8-18)26-17-19-4-2-1-3-5-19/h1-5,7-8,10-11,20-22,25H,12-17H2/t20?,21-,22-/m0/s1
KEGG

UniProtKB/TrEMBL

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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