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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 = 'BDBM50330380'   
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)		BDBM50330380
PNG
(5-Methyl-1'-{6-[5-(pyridin-3-ylmethyl)-1,3,4-oxadi...)
Show SMILES Cc1cccc2OC3(CCN(CC3)c3ccc(nn3)-c3nnc(Cc4cccnc4)o3)CCc12
Show InChI InChI=1S/C26H26N6O2/c1-18-4-2-6-22-20(18)9-10-26(34-22)11-14-32(15-12-26)23-8-7-21(28-29-23)25-31-30-24(33-25)16-19-5-3-13-27-17-19/h2-8,13,17H,9-12,14-16H2,1H3
PDB

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 0.200n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in mouse microsome assessed as reduction in conversion of [14C]stearic acid to [14C]oleic acid after 30 mins

Eur J Med Chem 45: 4788-96 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.044
BindingDB Entry DOI: 10.7270/Q2CZ37CN
More data for this
Ligand-Target Pair