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BDBM50270302 3-[7'-(Methoxy)-napht-2'-yl]-quinuclidine-2-ene::CHEMBL478981

SMILES: COc1ccc2cc(ccc2c1)C1=CN2CCC1CC2

InChI Key: InChIKey=KZWBNNXTWZPPPP-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50270302   
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)
BDBM50270302
PNG
(3-[7'-(Methoxy)-napht-2'-yl]-quinuclidine-2-ene | ...)
Show SMILES COc1ccc2cc(ccc2c1)C1=CN2CCC1CC2 |t:14,(.63,-19.82,;-.71,-19.06,;-2.03,-19.84,;-3.38,-19.07,;-4.71,-19.85,;-4.7,-21.38,;-6.03,-22.15,;-6.03,-23.68,;-4.7,-24.46,;-3.36,-23.69,;-3.36,-22.15,;-2.03,-21.38,;-7.36,-24.45,;-7.36,-26,;-8.7,-26.77,;-10.03,-26,;-10.03,-24.45,;-8.7,-23.67,;-9.43,-25.03,;-7.95,-25.43,)|
Show InChI InChI=1S/C18H19NO/c1-20-17-5-4-14-10-16(3-2-15(14)11-17)18-12-19-8-6-13(18)7-9-19/h2-5,10-13H,6-9H2,1H3
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 490n/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
Squalene synthetase


(Homo sapiens (Human))
BDBM50270302
PNG
(3-[7'-(Methoxy)-napht-2'-yl]-quinuclidine-2-ene | ...)
Show SMILES COc1ccc2cc(ccc2c1)C1=CN2CCC1CC2 |t:14,(.63,-19.82,;-.71,-19.06,;-2.03,-19.84,;-3.38,-19.07,;-4.71,-19.85,;-4.7,-21.38,;-6.03,-22.15,;-6.03,-23.68,;-4.7,-24.46,;-3.36,-23.69,;-3.36,-22.15,;-2.03,-21.38,;-7.36,-24.45,;-7.36,-26,;-8.7,-26.77,;-10.03,-26,;-10.03,-24.45,;-8.7,-23.67,;-9.43,-25.03,;-7.95,-25.43,)|
Show InChI InChI=1S/C18H19NO/c1-20-17-5-4-14-10-16(3-2-15(14)11-17)18-12-19-8-6-13(18)7-9-19/h2-5,10-13H,6-9H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.80E+3n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant squalene synthase expressed in Escherichia coli BL21(DE3 pLysS) 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