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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Stearoyl-CoA desaturase' and Ligand = 'BDBM50267923'   
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
Stearoyl-CoA desaturase


(Homo sapiens (Human))		BDBM50267923
PNG
(CHEMBL4071569)
Show SMILES CC(C)(C)c1ccc(cc1)C1(CCN(CC1)c1ccc(nn1)-c1nc(CO)no1)C#N
Show InChI InChI=1S/C23H26N6O2/c1-22(2,3)16-4-6-17(7-5-16)23(15-24)10-12-29(13-11-23)20-9-8-18(26-27-20)21-25-19(14-30)28-31-21/h4-9,30H,10-14H2,1-3H3
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Similars
Article
PubMed
n/an/a 21n/an/an/an/an/an/a



Pharmaceutical Research Division, Takeda Pharmaceutical Company Ltd., 26-1, Muraokahigashi 2-chome, Fujisawa, Kanagawa 251-8555, Japan. Electronic address: keisuke.imamura@takeda.com.

Curated by ChEMBL


Assay Description
Displacement of (5-(6-(10H-spiro(1-benzofuran-3,30-pyrrolidin)-10-yl)pyridazin-3-yl)-1,2,4-oxadiazol-3-yl)[3H2]methanol from SCD1 in human liver micr...

Bioorg Med Chem 25: 3768-3779 (2017)


Article DOI: 10.1016/j.bmc.2017.05.016
BindingDB Entry DOI: 10.7270/Q2Z60RJN
More data for this
Ligand-Target Pair