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BDBM50269938 3-[1'-2'-(2''-Pyrazinyl)}-ethynyl]-3-quinuclidinol::CHEMBL477506

SMILES: OC1(CN2CCC1CC2)C#Cc1cnccn1

InChI Key: InChIKey=XGXWLWYTBHPYGO-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50269938   
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)		BDBM50269938
PNG
(3-[1'-2'-(2''-Pyrazinyl)}-ethynyl]-3-quinuclidinol...)
Show SMILES OC1(CN2CCC1CC2)C#Cc1cnccn1 |(20.86,-36.14,;20.88,-37.68,;20.88,-39.23,;19.53,-39.99,;18.2,-39.23,;18.2,-37.68,;19.53,-36.9,;18.8,-38.26,;20.29,-38.66,;22.2,-36.91,;23.53,-36.12,;24.85,-35.34,;24.84,-33.82,;26.16,-33.03,;27.5,-33.79,;27.51,-35.33,;26.19,-36.11,)|
Show InChI InChI=1S/C13H15N3O/c17-13(4-1-12-9-14-5-6-15-12)10-16-7-2-11(13)3-8-16/h5-6,9,11,17H,2-3,7-8,10H2
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