BindingDB logo
myBDB logout

BDBM50269939 3-[1'-{2'-(3'',5''-Dimethylphenyl)}-ethynyl]-3-quinuclidinol::CHEMBL505301

SMILES: Cc1cc(C)cc(c1)C#CC1(O)CN2CCC1CC2

InChI Key: InChIKey=WPPWBPLDPXINDN-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50269939   
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)		BDBM50269939
PNG
(3-[1'-{2'-(3'',5''-Dimethylphenyl)}-ethynyl]-3-qui...)
Show SMILES Cc1cc(C)cc(c1)C#CC1(O)CN2CCC1CC2 |(14.51,5.35,;14.53,3.81,;15.88,3.05,;15.89,1.51,;17.23,.75,;14.56,.73,;13.23,1.5,;13.21,3.03,;11.9,.72,;10.58,-.07,;9.25,-.84,;9.23,.7,;9.25,-2.39,;7.9,-3.16,;6.57,-2.39,;6.57,-.84,;7.9,-.06,;7.17,-1.42,;8.66,-1.82,)|
Show InChI InChI=1S/C17H21NO/c1-13-9-14(2)11-15(10-13)3-6-17(19)12-18-7-4-16(17)5-8-18/h9-11,16,19H,4-5,7-8,12H2,1-2H3
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
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