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BDBM50070344 CHEMBL26950::Thiophene-2-sulfonic acid [2-(3-{[((E)-6,6-dimethyl-hept-2-en-4-ynyl)-ethyl-amino]-methyl}-phenoxy)-ethyl]-ethyl-amide

SMILES: CCN(C\C=C\C#CC(C)(C)C)Cc1cccc(OCCN(CC)S(=O)(=O)c2cccs2)c1

InChI Key: InChIKey=YTCFMFOUOBTSDI-CSKARUKUSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50070344   
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))		BDBM50070344
PNG
(CHEMBL26950 | Thiophene-2-sulfonic acid [2-(3-{[((...)
Show SMILES CCN(C\C=C\C#CC(C)(C)C)Cc1cccc(OCCN(CC)S(=O)(=O)c2cccs2)c1
Show InChI InChI=1S/C26H36N2O3S2/c1-6-27(17-10-8-9-16-26(3,4)5)22-23-13-11-14-24(21-23)31-19-18-28(7-2)33(29,30)25-15-12-20-32-25/h8,10-15,20-21H,6-7,17-19,22H2,1-5H3/b10-8+
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Similars
PubMed
n/an/a 90n/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