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BDBM50267924 CHEMBL4100103

SMILES: OCc1noc(n1)-c1ccc(nn1)N1CCC(CC1)(C#N)c1ccc(cc1)[N+]([O-])=O

InChI Key: InChIKey=UYEHCTBWKPFTAW-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50267924   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Stearoyl-CoA desaturase 1


(Homo sapiens (Human))		BDBM50267924
PNG
(CHEMBL4100103)
Show SMILES OCc1noc(n1)-c1ccc(nn1)N1CCC(CC1)(C#N)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C19H17N7O4/c20-12-19(13-1-3-14(4-2-13)26(28)29)7-9-25(10-8-19)17-6-5-15(22-23-17)18-21-16(11-27)24-30-18/h1-6,27H,7-11H2
PDB

KEGG

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UniChem

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PubMed
n/an/a 100n/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