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SMILES: CCCC(=O)c1ccc(OCC(O)CNC(C)C)c(CC=C)c1

InChI Key: InChIKey=GHLLHSFNWQEBJF-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50029170   
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
Squalene synthase


(Rattus norvegicus)		BDBM50029170
PNG
(1-[3-Allyl-4-(2-hydroxy-3-isopropylamino-propoxy)-...)
Show SMILES CCCC(=O)c1ccc(OCC(O)CNC(C)C)c(CC=C)c1
Show InChI InChI=1S/C19H29NO3/c1-5-7-16-11-15(18(22)8-6-2)9-10-19(16)23-13-17(21)12-20-14(3)4/h5,9-11,14,17,20-21H,1,6-8,12-13H2,2-4H3
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Similars
PubMed
n/an/a 4.5n/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