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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 = 'BDBM50364038'   
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))		BDBM50364038
PNG
(CHEMBL1950548)
Show SMILES OC(=O)Cn1nnc(n1)-c1cc(OCCOCc2cc(F)ccc2Br)no1
Show InChI InChI=1S/C15H13BrFN5O5/c16-11-2-1-10(17)5-9(11)8-25-3-4-26-13-6-12(27-20-13)15-18-21-22(19-15)7-14(23)24/h1-2,5-6H,3-4,7-8H2,(H,23,24)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 305n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of rat liver microsome SCD1

Bioorg Med Chem Lett 22: 623-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.070
BindingDB Entry DOI: 10.7270/Q26M379R
More data for this
Ligand-Target Pair