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BDBM50070349 CHEMBL26597::Thiophene-3-sulfonic acid [2-(3-{[((E)-6,6-dimethyl-hept-2-en-4-ynyl)-ethyl-amino]-methyl}-phenoxy)-ethyl]-methyl-amide

SMILES: CCN(C\C=C\C#CC(C)(C)C)Cc1cccc(OCCN(C)S(=O)(=O)c2ccsc2)c1

InChI Key: InChIKey=HHIRODMBGMDYOP-VQHVLOKHSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50070349   
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 monooxygenase


(Homo sapiens (Human))		BDBM50070349
PNG
(CHEMBL26597 | Thiophene-3-sulfonic acid [2-(3-{[((...)
Show SMILES CCN(C\C=C\C#CC(C)(C)C)Cc1cccc(OCCN(C)S(=O)(=O)c2ccsc2)c1
Show InChI InChI=1S/C25H34N2O3S2/c1-6-27(15-9-7-8-14-25(2,3)4)20-22-11-10-12-23(19-22)30-17-16-26(5)32(28,29)24-13-18-31-21-24/h7,9-13,18-19,21H,6,15-17,20H2,1-5H3/b9-7+
PDB

KEGG

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PC cid
PC sid
UniChem
PubMed
n/an/a 250n/an/an/an/an/an/a



Centre de Recherche Pierre Fabre

Curated by ChEMBL


Assay Description
In vitro inhibition of cholesterol biosynthesis in human HepG2 cells.

Bioorg Med Chem Lett 8: 1337-42 (1999)


BindingDB Entry DOI: 10.7270/Q2251HB1
More data for this
Ligand-Target Pair