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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acyl-CoA desaturase 1' and Ligand = 'BDBM50296515'   
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
Acyl-CoA desaturase 1


(Mus musculus)		BDBM50296515
PNG
(2-(2-methoxy-5-(5-(3-(trifluoromethyl)benzyl)thiaz...)
Show SMILES COc1ccc(cc1OCC(O)=O)C(=O)Nc1ncc(Cc2cccc(c2)C(F)(F)F)s1
Show InChI InChI=1S/C21H17F3N2O5S/c1-30-16-6-5-13(9-17(16)31-11-18(27)28)19(29)26-20-25-10-15(32-20)8-12-3-2-4-14(7-12)21(22,23)24/h2-7,9-10H,8,11H2,1H3,(H,27,28)(H,25,26,29)
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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in mouse microsomes assessed as conversion of [14C]stearate to [14C]oleate after 60 mins

Bioorg Med Chem Lett 19: 4151-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.119
BindingDB Entry DOI: 10.7270/Q21836H1
More data for this
Ligand-Target Pair