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BDBM50269937 3-[1'-2'-(4''-Hydroxy-3''-benzoic acid)}-ethynyl]-3-quinuclidinol::CHEMBL517203

SMILES: OC(=O)c1cc(ccc1O)C#CC1(O)CN2CCC1CC2

InChI Key: InChIKey=NAILHADGIVNWIF-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50269937   
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)		BDBM50269937
PNG
(3-[1'-2'-(4''-Hydroxy-3''-benzoic acid)}-ethynyl]-...)
Show SMILES OC(=O)c1cc(ccc1O)C#CC1(O)CN2CCC1CC2 |(-4.7,-31.17,;-3.36,-31.93,;-2.03,-31.14,;-3.34,-33.47,;-4.66,-34.25,;-4.65,-35.78,;-3.31,-36.54,;-1.98,-35.76,;-1.99,-34.23,;-.67,-33.44,;-5.97,-36.56,;-7.3,-37.34,;-8.63,-38.11,;-8.64,-36.57,;-8.63,-39.66,;-9.97,-40.43,;-11.3,-39.66,;-11.3,-38.11,;-9.97,-37.33,;-10.7,-38.69,;-9.21,-39.1,)|
Show InChI InChI=1S/C16H17NO4/c18-14-2-1-11(9-13(14)15(19)20)3-6-16(21)10-17-7-4-12(16)5-8-17/h1-2,9,12,18,21H,4-5,7-8,10H2,(H,19,20)
KEGG

UniProtKB/TrEMBL

GoogleScholar
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