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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Squalene synthetase' and Ligand = 'BDBM50029159'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Squalene synthetase


(Rattus norvegicus)
BDBM50029159
PNG
(CHEMBL132881 | [3-(2-Allyl-4-butoxy-phenoxy)-propy...)
Show SMILES CCCCOc1ccc(OCCCNC(C)C)c(CC=C)c1
Show InChI InChI=1S/C19H31NO2/c1-5-7-13-21-18-10-11-19(17(15-18)9-6-2)22-14-8-12-20-16(3)4/h6,10-11,15-16,20H,2,5,7-9,12-14H2,1,3-4H3
PDB
MMDB

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PC cid
PC sid
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Patents

PubMed
n/an/a 0.600n/an/an/an/an/an/a



Zeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of rat microsomal squalene synthase


J Med Chem 38: 4157-60 (1995)


BindingDB Entry DOI: 10.7270/Q21V5D0D
More data for this
Ligand-Target Pair