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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 = 'BDBM50060656'   
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)		BDBM50060656
PNG
(CHEMBL3394680)
Show SMILES Cc1nc(sc1C(=O)NCc1cocn1)-n1cnn(Cc2ccc(F)cc2)c1=O
Show InChI InChI=1S/C18H15FN6O3S/c1-11-15(16(26)20-6-14-8-28-10-21-14)29-17(23-11)24-9-22-25(18(24)27)7-12-2-4-13(19)5-3-12/h2-5,8-10H,6-7H2,1H3,(H,20,26)
PDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 12n/an/an/an/an/an/a



Xenon Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in ICR mouse liver microsome using [9,10 3H]- stearoyl-Coenzyme A substrate assessed as decreased production of tritiated water af...

Bioorg Med Chem 23: 455-65 (2015)


Article DOI: 10.1016/j.bmc.2014.12.014
BindingDB Entry DOI: 10.7270/Q2GM890X
More data for this
Ligand-Target Pair