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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 = 'BDBM50312702'   
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


(Rattus norvegicus (Rat))
BDBM50312702
PNG
((3-(2-(4-(2-(trifluoromethyl)phenoxy)piperidin-1-y...)
Show SMILES OCc1nc(no1)-c1cnc(s1)N1CCC(CC1)Oc1ccccc1C(F)(F)F
Show InChI InChI=1S/C18H17F3N4O3S/c19-18(20,21)12-3-1-2-4-13(12)27-11-5-7-25(8-6-11)17-22-9-14(29-17)16-23-15(10-26)28-24-16/h1-4,9,11,26H,5-8,10H2
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in Wistar rat liver microsome assessed as [3H]stearoyl-CoA to [3H]oleoyl-CoA conversion pretreated 1 hr before [3H]stearoyl-CoA ad...


Bioorg Med Chem Lett 20: 1593-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.083
BindingDB Entry DOI: 10.7270/Q2DJ5FR0
More data for this
Ligand-Target Pair